# Electronic Supplementary Material (ESI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 2024

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_hy
_database_code_depnum_ccdc_archive 'CCDC 2303391'
loop_
_audit_author_name
_audit_author_address
'Fan Yang'
;UCAS
China
;
_audit_update_record             
;
2023-12-08 deposited with the CCDC.	2024-07-17 downloaded from the CCDC.
;
_audit_creation_date             2023-11-03
_audit_creation_method           
;
Olex2 1.5-beta
(compiled 2023.08.24 svn.re1ec1418 for OlexSys, GUI svn.r6817)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'C54 H52 Ag P4, 2(C20 H10 Al2 O10), 2(H2 O), 3(C2 H8 N)'
_chemical_formula_sum            'C100 H101 Ag Al4 N3 O22 P4'
_chemical_formula_weight         2036.50
_chemical_melting_point          ?
_chemical_oxdiff_formula         'Al Ag C H O N P '
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0137 0.0067 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag 0.0782 3.3823 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Al Al 0.1771 0.1873 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0241 0.0134 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0389 0.0241 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2543 0.3332 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   12.9543(2)
_cell_length_b                   19.4350(3)
_cell_length_c                   20.0165(3)
_cell_angle_alpha                95.8910(10)
_cell_angle_beta                 93.4480(10)
_cell_angle_gamma                108.1350(10)
_cell_volume                     4741.21(13)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    36533
_cell_measurement_temperature    99.9(4)
_cell_measurement_theta_max      59.8020
_cell_measurement_theta_min      2.1020
_shelx_estimated_absorpt_T_max   0.809
_shelx_estimated_absorpt_T_min   0.809
_exptl_absorpt_coefficient_mu    2.214
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.74264
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.115a (Rigaku Oxford Diffraction, 2021)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.427
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2114
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0482
_diffrn_reflns_av_unetI/netI     0.0516
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.966
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            56977
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.966
_diffrn_reflns_theta_full        53.543
_diffrn_reflns_theta_max         60.102
_diffrn_reflns_theta_min         1.938
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      99.9(4)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.966
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω   -107.00 -37.00   0.50    0.06    --  -79.29 125.00-150.00  140
  2  ω    -97.00 -69.00   0.50    0.06    --  -79.29 108.00-139.00   56
  3  ω   -105.00 -72.00   0.50    0.06    --  -79.29  77.00-120.00   66
  4  ω    -63.00 -26.00   0.50    0.06    --  -79.29  77.00-120.00   74
  5  ω    -68.00 -10.00   0.50    0.06    --  -79.29  30.00  60.00  116
  6  ω    -72.00 -23.00   0.50    0.05    --   -1.48 -77.00 120.00   98
  7  ω     -9.00  30.00   0.50    0.05    --   -1.48 -77.00 120.00   78
  8  ω    -80.00 -54.00   0.50    0.05    --   -1.48 -38.00 -90.00   52
  9  ω     -8.00  21.00   0.50    0.05    --   -1.48 -38.00 -90.00   58
 10  ω     -6.00  39.00   0.50    0.05    --   -1.48 -99.00 -30.00   90
 11  ω     -8.00  17.00   0.50    0.05    --   -1.48 -99.00-150.00   50
 12  ω     -7.00  22.00   0.50    0.05    --   -1.48 -99.00-180.00   58
 13  ω     -7.00  18.00   0.50    0.05    --   -1.48 -99.00-120.00   50
 14  ω     -6.00  32.00   0.50    0.05    --   -1.48 -99.00   0.00   76
 15  ω     36.00 101.00   0.50    0.06    --   76.33-125.00   0.00  130
 16  ω     24.00  92.00   0.50    0.06    --   76.33-125.00 -30.00  136
 17  ω     22.00 105.00   0.50    0.06    --   76.33-125.00 120.00  166
 18  ω     50.00 103.00   0.50    0.06    --   76.33-108.00 123.00  106
 19  ω     48.00 102.00   0.50    0.06    --   76.33 -61.00 -60.00  108
 20  ω      8.00  75.00   0.50    0.06    --   76.33 -45.00 -60.00  134
 21  ω      3.00  61.00   0.50    0.06    --   76.33 -45.00  90.00  116
 22  ω     95.00 121.00   0.50    0.06    --   76.33 125.00 -30.00   52
 23  ω     80.00 141.00   0.50    0.06    --   76.33 125.00-180.00  122
 24  ω     94.00 120.00   0.50    0.06    --   76.33 108.00-139.00   52
 25  ω   -152.00 -54.00   0.50    0.06    --  -79.29 -45.00 150.00  196
 26  ω   -156.00 -55.00   0.50    0.06    --  -79.29 -45.00 120.00  202
 27  ω   -155.00 -84.00   0.50    0.06    --  -79.29 -94.00  90.00  142
 28  ω   -132.00 -87.00   0.50    0.06    --  -79.29-108.00 123.00   90
 29  ω   -131.50-119.00   0.50    0.06    --  -79.29 -61.00  30.00   25
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'ROD, Synergy Custom system, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0007301000
_diffrn_orient_matrix_UB_12      -0.0234859000
_diffrn_orient_matrix_UB_13      -0.0651982000
_diffrn_orient_matrix_UB_21      -0.0636875000
_diffrn_orient_matrix_UB_22      -0.0666282000
_diffrn_orient_matrix_UB_23      0.0091937000
_diffrn_orient_matrix_UB_31      -0.0888282000
_diffrn_orient_matrix_UB_32      0.0188170000
_diffrn_orient_matrix_UB_33      -0.0152292000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           GaK\a
_diffrn_radiation_wavelength     1.3405
_diffrn_source                   'micro-focus metaljet'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                16935
_reflns_number_total             20749
_reflns_odcompleteness_completeness 99.63
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     56.82
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.41.115a (Rigaku OD, 2021)'
_computing_data_collection       'CrysAlisPro 1.171.41.115a (Rigaku OD, 2021)'
_computing_data_reduction        'CrysAlisPro 1.171.41.115a (Rigaku OD, 2021)'
_computing_molecular_graphics    'Olex2 1.5-beta (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5-beta (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         1.111
_refine_diff_density_min         -0.950
_refine_diff_density_rms         0.076
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.051
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1219
_refine_ls_number_reflns         20749
_refine_ls_number_restraints     10
_refine_ls_R_factor_all          0.0709
_refine_ls_R_factor_gt           0.0533
_refine_ls_restrained_S_all      1.051
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0567P)²+6.1047P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1285
_refine_ls_wR_factor_ref         0.1361
_refine_special_details          ?
_olex2_refinement_description    
;
1. Restrained distances
 H0AC-H2B_$1
 2.1 with sigma of 0.02
 H0AD-H2B_$1
 2.1 with sigma of 0.02
 O0AA-N2_$1
 2.6 with sigma of 0.02
 O00T-O0AA
 2.728 with sigma of 0.02
2. Uiso/Uaniso restraints and constraints
Uanis(O0AA) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
3.a Free rotating group:
 O1(H1F,H1G), O0AA(H0AC,H0AD)
3.b Secondary CH2 refined with riding coordinates:
 C011(H01A,H01B), C015(H01C,H01D), C01D(H01F,H01G), C01Q(H01I,H01K), C01R(H01L,
 H01M), C02D(H02C,H02D), N1(H1A,H1B), N0AA(H0AA,H0AB), N2(H2A,H2B)
3.c Aromatic/amide H refined with riding coordinates:
 C00X(H00X), C014(H014), C017(H017), C018(H018), C019(H019), C01C(H01E),
 C01G(H01H), C01J(H01J), C01L(H01O), C01N(H01N), C01S(H01S), C01T(H01T),
 C01U(H01U), C01X(H01X), C01Y(H01Y), C020(H020), C021(H021), C022(H022),
 C024(H024), C025(H025), C028(H028), C029(H029), C02A(H02A), C02B(H02B),
 C02E(H02E), C02F(H02F), C02I(H02I), C02J(H02J), C02K(H02K), C02M(H02M),
 C02N(H02N), C02O(H02O), C02P(H02P), C02R(H02R), C02T(H02T), C02U(H02U),
 C02V(H02V), C02W(H02W), C02Y(H02Y), C02Z(H02Z), C030(H030), C031(H031),
 C032(H032), C033(H033), C034(H034), C035(H035), C036(H036), C037(H037),
 C038(H038), C03B(H03B), C03C(H03C), C03E(H03E), C03F(H03F), C03G(H03G),
 C03I(H03I), C03J(H03J), C03K(H03K), C03L(H03L), C03M(H03M), C03N(H03N)
3.d Idealised Me refined as rotating group:
 C3(H3A,H3B,H3C), C4(H4A,H4B,H4C), C2AA(H2AA,H2AB,H2AC), C1(H1C,H1D,H1E),
 C3AA(H3AA,H3AB,H3AC), C1AA(H1AA,H1AB,H1AC)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag01 Ag 0.16856(2) 0.53517(2) 0.75918(2) 0.03075(7) Uani 1 1 d . . . . .
P002 P 0.14475(6) 0.62337(4) 0.68344(4) 0.03189(16) Uani 1 1 d . . . . .
P003 P 0.20898(6) 0.62072(4) 0.86622(4) 0.03261(16) Uani 1 1 d . . . . .
P004 P 0.32493(7) 0.48555(5) 0.75264(4) 0.03558(17) Uani 1 1 d . . . . .
P005 P 0.02992(7) 0.41262(4) 0.75890(4) 0.03494(17) Uani 1 1 d . . . . .
Al06 Al 0.40307(8) 0.91866(5) 0.61753(5) 0.0348(2) Uani 1 1 d . . . . .
Al07 Al 0.88855(7) 0.99900(5) 0.98382(5) 0.0340(2) Uani 1 1 d . . . . .
Al08 Al 0.60199(7) 0.98439(5) 0.51402(5) 0.0342(2) Uani 1 1 d . . . . .
Al09 Al 0.93262(9) 0.92334(6) 1.12483(5) 0.0454(2) Uani 1 1 d . . . . .
O00A O 0.51783(16) 1.03900(11) 0.55127(10) 0.0339(5) Uani 1 1 d . . . . .
O00B O 1.00813(16) 1.04225(12) 1.04827(10) 0.0320(4) Uani 1 1 d . . . . .
O00C O 0.33171(16) 0.93954(12) 0.53819(11) 0.0347(5) Uani 1 1 d . . . . .
O00D O 0.84705(17) 0.92618(12) 1.04349(12) 0.0385(5) Uani 1 1 d . . . . .
O00E O 0.66504(18) 0.92232(13) 0.46979(11) 0.0388(5) Uani 1 1 d . . . . .
O00F O 0.52023(17) 0.91036(12) 0.56370(11) 0.0360(5) Uani 1 1 d . . . . .
O00G O 0.28566(17) 0.98041(13) 0.41824(11) 0.0400(5) Uani 1 1 d . . . . .
O00H O 0.26448(18) 0.88007(13) 0.63983(11) 0.0400(5) Uani 1 1 d . . . . .
O00I O 0.43707(19) 0.84794(13) 0.65988(12) 0.0417(5) Uani 1 1 d . . . . .
O00J O 0.94834(18) 1.07390(12) 0.92855(11) 0.0372(5) Uani 1 1 d . . . . .
O00K O 0.80433(17) 1.04994(13) 1.02302(13) 0.0429(5) Uani 1 1 d . . . . .
O00L O 0.4611(2) 0.99917(13) 0.67415(11) 0.0450(6) Uani 1 1 d . . . . .
O00N O 0.7487(2) 0.83904(16) 0.45766(15) 0.0554(7) Uani 1 1 d . . . . .
O00O O 0.9750(2) 1.00784(15) 1.17619(12) 0.0525(6) Uani 1 1 d . . . . .
O00P O 0.78205(19) 0.94545(14) 0.91782(13) 0.0486(6) Uani 1 1 d . . . . .
O00Q O 0.1166(2) 0.9348(2) 0.37152(15) 0.0788(11) Uani 1 1 d . . . . .
O00R O 0.7072(2) 1.12491(16) 1.03489(18) 0.0680(9) Uani 1 1 d . . . . .
C00S C -0.1041(3) 0.39849(18) 0.79014(16) 0.0383(7) Uani 1 1 d . . . . .
O00T O 1.0033(3) 1.12950(19) 0.82395(15) 0.0753(9) Uani 1 1 d D . . . .
C00U C 1.0189(2) 1.09761(18) 1.09971(15) 0.0336(6) Uani 1 1 d . . . . .
C00V C 0.6867(3) 0.86617(19) 0.48746(18) 0.0401(7) Uani 1 1 d . . . . .
C00W C 0.1870(3) 0.61983(18) 0.59810(16) 0.0361(7) Uani 1 1 d . . . . .
C00X C 1.0456(2) 1.16933(18) 1.08818(17) 0.0369(7) Uani 1 1 d . . . . .
H00X H 1.059372 1.181825 1.044179 0.044 Uiso 1 1 calc R . . . .
C00Y C 0.0976(3) 0.62671(17) 0.91593(15) 0.0340(6) Uani 1 1 d . . . . .
C00Z C 0.3061(3) 0.60549(19) 0.92813(15) 0.0371(7) Uani 1 1 d . . . . .
O010 O 0.8026(3) 0.87210(18) 1.15107(15) 0.0695(9) Uani 1 1 d . . . . .
C011 C 0.1960(3) 0.73481(17) 0.79538(16) 0.0363(7) Uani 1 1 d . . . . .
H01A H 0.206998 0.787756 0.804766 0.044 Uiso 1 1 calc R . . . .
H01B H 0.118673 0.708591 0.800761 0.044 Uiso 1 1 calc R . . . .
C012 C 0.0032(3) 0.62176(18) 0.67021(16) 0.0355(7) Uani 1 1 d . . . . .
C014 C 1.0048(3) 1.1328(2) 1.21561(18) 0.0494(9) Uani 1 1 d . . . . .
H014 H 0.989236 1.120475 1.259438 0.059 Uiso 1 1 calc R . . . .
C015 C 0.2688(3) 0.71430(18) 0.84829(16) 0.0366(7) Uani 1 1 d . . . . .
H01C H 0.280030 0.748125 0.890534 0.044 Uiso 1 1 calc R . . . .
H01D H 0.341045 0.720052 0.831594 0.044 Uiso 1 1 calc R . . . .
C016 C 0.5406(3) 1.09195(17) 0.60617(17) 0.0378(7) Uani 1 1 d . . . . .
C017 C 0.1092(3) 0.68454(19) 0.96652(16) 0.0391(7) Uani 1 1 d . . . . .
H017 H 0.177295 0.722296 0.976405 0.047 Uiso 1 1 calc R . . . .
C018 C 0.0224(3) 0.68714(19) 1.00213(16) 0.0417(7) Uani 1 1 d . . . . .
H018 H 0.031127 0.726684 1.036401 0.050 Uiso 1 1 calc R . . . .
C019 C 0.1366(3) 0.5571(2) 0.55278(17) 0.0425(8) Uani 1 1 d . . . . .
H019 H 0.077584 0.519433 0.565772 0.051 Uiso 1 1 calc R . . . .
C01B C 0.1841(3) 0.9469(2) 0.4219(2) 0.0504(9) Uani 1 1 d . . . . .
C01C C -0.1247(3) 0.38389(19) 0.85575(17) 0.0429(8) Uani 1 1 d . . . . .
H01E H -0.068376 0.378679 0.885498 0.051 Uiso 1 1 calc R . . . .
C01D C 0.1950(3) 0.34746(19) 0.78473(19) 0.0463(8) Uani 1 1 d . . . . .
H01F H 0.184711 0.337384 0.734863 0.056 Uiso 1 1 calc R . . . .
H01G H 0.203764 0.303434 0.801947 0.056 Uiso 1 1 calc R . . . .
C01E C -0.0051(3) 0.35924(17) 0.67585(16) 0.0368(7) Uani 1 1 d . . . . .
O01F O 0.6246(3) 0.86901(19) 0.8719(2) 0.0998(14) Uani 1 1 d . . . . .
C01G C -0.3088(3) 0.3839(2) 0.8359(2) 0.0494(9) Uani 1 1 d . . . . .
H01H H -0.378726 0.377720 0.851184 0.059 Uiso 1 1 calc R . . . .
C01H C 0.6350(3) 0.83245(18) 0.54564(18) 0.0406(7) Uani 1 1 d . . . . .
C01I C 0.2204(2) 0.91514(18) 0.53758(17) 0.0369(7) Uani 1 1 d . . . . .
C01J C -0.0303(3) 0.6603(2) 0.62334(17) 0.0423(7) Uani 1 1 d . . . . .
H01J H 0.021616 0.689348 0.597512 0.051 Uiso 1 1 calc R . . . .
C01K C 0.8854(3) 1.11337(19) 0.90604(18) 0.0441(8) Uani 1 1 d . . . . .
C01L C 1.0525(3) 1.2237(2) 1.14099(18) 0.0429(8) Uani 1 1 d . . . . .
H01O H 1.070446 1.273248 1.133147 0.051 Uiso 1 1 calc R . . . .
C01M C 0.9986(3) 1.0778(2) 1.16381(17) 0.0411(7) Uani 1 1 d . . . . .
C01N C -0.0772(3) 0.6326(2) 0.98835(16) 0.0408(7) Uani 1 1 d . . . . .
H01N H -0.136828 0.634876 1.012931 0.049 Uiso 1 1 calc R . . . .
C01O C 0.1853(3) 0.88298(17) 0.59547(16) 0.0364(7) Uani 1 1 d . . . . .
C01P C 0.4571(3) 0.5505(2) 0.78759(17) 0.0402(7) Uani 1 1 d . . . . .
C01Q C 0.3019(3) 0.41091(19) 0.80492(17) 0.0414(7) Uani 1 1 d . . . . .
H01I H 0.363731 0.391306 0.802752 0.050 Uiso 1 1 calc R . . . .
H01K H 0.301928 0.431124 0.852388 0.050 Uiso 1 1 calc R . . . .
C01R C 0.2168(3) 0.71749(17) 0.72155(16) 0.0378(7) Uani 1 1 d . . . . .
H01L H 0.296170 0.727166 0.719466 0.045 Uiso 1 1 calc R . . . .
H01M H 0.194610 0.751144 0.694278 0.045 Uiso 1 1 calc R . . . .
C01S C -0.1886(3) 0.4070(2) 0.74832(17) 0.0427(8) Uani 1 1 d . . . . .
H01S H -0.176511 0.417867 0.703675 0.051 Uiso 1 1 calc R . . . .
C01T C -0.0939(3) 0.29489(18) 0.66215(17) 0.0420(8) Uani 1 1 d . . . . .
H01T H -0.138358 0.277715 0.696871 0.050 Uiso 1 1 calc R . . . .
C01U C 0.4119(3) 0.6529(2) 0.94470(19) 0.0496(9) Uani 1 1 d . . . . .
H01U H 0.434635 0.697461 0.925716 0.060 Uiso 1 1 calc R . . . .
C01V C 0.5588(3) 0.85530(17) 0.57874(17) 0.0365(7) Uani 1 1 d . . . . .
C01W C 0.1474(3) 0.9203(2) 0.48610(18) 0.0454(8) Uani 1 1 d . . . . .
C01X C 0.5882(3) 1.16460(19) 0.5991(2) 0.0457(8) Uani 1 1 d . . . . .
H01X H 0.607804 1.178482 0.556340 0.055 Uiso 1 1 calc R . . . .
C01Y C -0.0899(3) 0.5752(2) 0.93897(18) 0.0443(8) Uani 1 1 d . . . . .
H01Y H -0.157885 0.537216 0.929687 0.053 Uiso 1 1 calc R . . . .
C01Z C 0.7402(3) 0.8865(2) 1.0438(2) 0.0495(9) Uani 1 1 d . . . . .
C020 C -0.0024(3) 0.57292(19) 0.90273(17) 0.0397(7) Uani 1 1 d . . . . .
H020 H -0.011827 0.533530 0.868172 0.048 Uiso 1 1 calc R . . . .
C021 C -0.2894(3) 0.3999(2) 0.7712(2) 0.0487(8) Uani 1 1 d . . . . .
H021 H -0.345873 0.405997 0.742243 0.058 Uiso 1 1 calc R . . . .
C022 C 0.2736(3) 0.6747(2) 0.57818(18) 0.0462(8) Uani 1 1 d . . . . .
H022 H 0.308042 0.718392 0.607940 0.055 Uiso 1 1 calc R . . . .
C023 C 0.5111(3) 1.06960(19) 0.66815(18) 0.0429(8) Uani 1 1 d . . . . .
C024 C 1.0330(3) 1.2049(2) 1.20465(18) 0.0481(9) Uani 1 1 d . . . . .
H024 H 1.039086 1.241802 1.241102 0.058 Uiso 1 1 calc R . . . .
C025 C 0.0741(3) 0.85703(19) 0.60243(18) 0.0421(8) Uani 1 1 d . . . . .
H025 H 0.048700 0.834330 0.640791 0.051 Uiso 1 1 calc R . . . .
C027 C 0.5119(3) 0.82189(18) 0.63338(18) 0.0405(7) Uani 1 1 d . . . . .
C028 C -0.2257(3) 0.3770(2) 0.87789(18) 0.0476(8) Uani 1 1 d . . . . .
H028 H -0.237993 0.367265 0.922803 0.057 Uiso 1 1 calc R . . . .
C029 C 0.0005(3) 0.8648(2) 0.5523(2) 0.0522(9) Uani 1 1 d . . . . .
H029 H -0.075261 0.849419 0.557837 0.063 Uiso 1 1 calc R . . . .
C02A C -0.0740(3) 0.5814(2) 0.7085(2) 0.0543(10) Uani 1 1 d . . . . .
H02A H -0.052438 0.555382 0.741475 0.065 Uiso 1 1 calc R . . . .
C02B C 0.2756(3) 0.5401(2) 0.95580(17) 0.0419(8) Uani 1 1 d . . . . .
H02B H 0.204130 0.506524 0.944455 0.050 Uiso 1 1 calc R . . . .
C02C C 0.7988(3) 1.12494(19) 0.9373(2) 0.0487(9) Uani 1 1 d . . . . .
C02D C 0.0910(3) 0.3582(2) 0.80916(17) 0.0435(8) Uani 1 1 d . . . . .
H02C H 0.107642 0.382230 0.856370 0.052 Uiso 1 1 calc R . . . .
H02D H 0.036217 0.309556 0.809225 0.052 Uiso 1 1 calc R . . . .
C02E C 0.3093(3) 0.6654(2) 0.5148(2) 0.0553(10) Uani 1 1 d . . . . .
H02E H 0.369320 0.702429 0.501922 0.066 Uiso 1 1 calc R . . . .
C02F C 0.3581(3) 0.4880(2) 0.61834(19) 0.0520(9) Uani 1 1 d . . . . .
H02F H 0.339653 0.531703 0.624284 0.062 Uiso 1 1 calc R . . . .
C02H C 0.6621(3) 0.8734(2) 0.9900(3) 0.0587(11) Uani 1 1 d . . . . .
C02I C 0.6651(3) 0.7744(2) 0.5685(2) 0.0517(9) Uani 1 1 d . . . . .
H02I H 0.716686 0.757203 0.546222 0.062 Uiso 1 1 calc R . . . .
C02J C 0.4751(3) 0.6241(2) 0.7835(2) 0.0477(8) Uani 1 1 d . . . . .
H02J H 0.418589 0.639089 0.763492 0.057 Uiso 1 1 calc R . . . .
C02K C 0.5804(4) 1.1965(2) 0.7165(2) 0.0586(11) Uani 1 1 d . . . . .
H02K H 0.593541 1.232417 0.754794 0.070 Uiso 1 1 calc R . . . .
C02L C 0.3581(3) 0.4485(2) 0.67220(18) 0.0466(8) Uani 1 1 d . . . . .
C02M C -0.1388(3) 0.6568(2) 0.6139(2) 0.0542(10) Uani 1 1 d . . . . .
H02M H -0.160721 0.683462 0.581745 0.065 Uiso 1 1 calc R . . . .
C02N C 0.4844(3) 0.6359(2) 0.9887(2) 0.0570(10) Uani 1 1 d . . . . .
H02N H 0.556372 0.668767 0.999672 0.068 Uiso 1 1 calc R . . . .
C02O C 0.3489(3) 0.5236(2) 0.99992(18) 0.0477(9) Uani 1 1 d . . . . .
H02O H 0.327245 0.479002 1.018832 0.057 Uiso 1 1 calc R . . . .
C02P C 0.1708(3) 0.5488(2) 0.48920(18) 0.0487(8) Uani 1 1 d . . . . .
H02P H 0.134681 0.506199 0.458470 0.058 Uiso 1 1 calc R . . . .
C02Q C 0.9163(4) 1.1430(2) 0.8477(2) 0.0574(10) Uani 1 1 d . . . . .
C02R C -0.1817(3) 0.5786(3) 0.6990(3) 0.0727(14) Uani 1 1 d . . . . .
H02R H -0.233644 0.551374 0.725849 0.087 Uiso 1 1 calc R . . . .
C02S C 0.7676(3) 1.0989(2) 1.0021(2) 0.0488(9) Uani 1 1 d . . . . .
C02T C 0.0593(3) 0.3833(2) 0.62502(17) 0.0470(8) Uani 1 1 d . . . . .
H02T H 0.119562 0.427098 0.633838 0.056 Uiso 1 1 calc R . . . .
C02U C 0.5340(3) 1.1232(2) 0.7234(2) 0.0537(9) Uani 1 1 d . . . . .
H02U H 0.517583 1.109451 0.766710 0.064 Uiso 1 1 calc R . . . .
C02V C 0.2586(3) 0.6032(2) 0.47061(19) 0.0522(9) Uani 1 1 d . . . . .
H02V H 0.283500 0.597412 0.427368 0.063 Uiso 1 1 calc R . . . .
C02W C 0.5430(3) 0.7658(2) 0.6553(2) 0.0536(10) Uani 1 1 d . . . . .
H02W H 0.511884 0.743064 0.692446 0.064 Uiso 1 1 calc R . . . .
C02X C 0.6892(3) 0.8968(2) 0.9225(3) 0.0632(13) Uani 1 1 d . . . . .
C02Y C 0.6074(3) 1.2174(2) 0.6548(2) 0.0552(10) Uani 1 1 d . . . . .
H02Y H 0.638898 1.267637 0.650151 0.066 Uiso 1 1 calc R . . . .
C02Z C 0.5406(3) 0.5299(3) 0.8172(2) 0.0570(10) Uani 1 1 d . . . . .
H02Z H 0.530629 0.479839 0.820645 0.068 Uiso 1 1 calc R . . . .
C030 C -0.1169(3) 0.2564(2) 0.59829(19) 0.0520(9) Uani 1 1 d . . . . .
H030 H -0.177548 0.212948 0.589023 0.062 Uiso 1 1 calc R . . . .
C031 C 0.4527(3) 0.5718(2) 1.01626(18) 0.0505(9) Uani 1 1 d . . . . .
H031 H 0.502413 0.560590 1.046737 0.061 Uiso 1 1 calc R . . . .
C032 C -0.2143(3) 0.6153(3) 0.6507(3) 0.0654(12) Uani 1 1 d . . . . .
H032 H -0.288976 0.611675 0.642917 0.078 Uiso 1 1 calc R . . . .
C033 C 0.0364(4) 0.3439(2) 0.56126(19) 0.0597(11) Uani 1 1 d . . . . .
H033 H 0.081549 0.360221 0.526604 0.072 Uiso 1 1 calc R . . . .
C034 C 0.3845(4) 0.3844(3) 0.6624(2) 0.0708(13) Uani 1 1 d . . . . .
H034 H 0.385813 0.357156 0.699021 0.085 Uiso 1 1 calc R . . . .
C035 C 0.0355(3) 0.8942(2) 0.4953(2) 0.0565(10) Uani 1 1 d . . . . .
H035 H -0.016678 0.897079 0.461233 0.068 Uiso 1 1 calc R . . . .
C036 C 0.6207(3) 0.7428(2) 0.6225(2) 0.0599(11) Uani 1 1 d . . . . .
H036 H 0.643122 0.704589 0.637930 0.072 Uiso 1 1 calc R . . . .
C037 C 0.5739(3) 0.6763(2) 0.8082(2) 0.0566(10) Uani 1 1 d . . . . .
H037 H 0.584890 0.726417 0.804484 0.068 Uiso 1 1 calc R . . . .
C038 C -0.0522(4) 0.2808(2) 0.54794(19) 0.0588(11) Uani 1 1 d . . . . .
H038 H -0.068466 0.254158 0.503974 0.071 Uiso 1 1 calc R . . . .
C039 C 0.7185(4) 0.8578(2) 1.1058(2) 0.0634(12) Uani 1 1 d . . . . .
C03B C 0.7411(4) 1.1660(2) 0.9075(3) 0.0637(13) Uani 1 1 d . . . . .
H03B H 0.682053 1.175008 0.928675 0.076 Uiso 1 1 calc R . . . .
C03C C 0.6558(3) 0.6554(3) 0.8379(2) 0.0643(12) Uani 1 1 d . . . . .
H03C H 0.723406 0.690870 0.855484 0.077 Uiso 1 1 calc R . . . .
C03E C 0.3849(4) 0.4644(3) 0.5557(2) 0.0663(12) Uani 1 1 d . . . . .
H03E H 0.385897 0.492382 0.519329 0.080 Uiso 1 1 calc R . . . .
C03F C 0.5537(3) 0.8334(2) 1.0001(4) 0.0793(17) Uani 1 1 d . . . . .
H03F H 0.496444 0.824510 0.965140 0.095 Uiso 1 1 calc R . . . .
C03G C 0.7680(4) 1.1927(2) 0.8498(3) 0.0769(16) Uani 1 1 d . . . . .
H03G H 0.726324 1.219157 0.830041 0.092 Uiso 1 1 calc R . . . .
C03I C 0.4089(5) 0.3597(3) 0.5995(3) 0.0870(17) Uani 1 1 d . . . . .
H03I H 0.424867 0.315137 0.592953 0.104 Uiso 1 1 calc R . . . .
C03J C 0.6389(3) 0.5827(3) 0.8419(3) 0.0697(13) Uani 1 1 d . . . . .
H03J H 0.695838 0.568268 0.862078 0.084 Uiso 1 1 calc R . . . .
C03K C 0.8554(5) 1.1827(2) 0.8182(2) 0.0746(15) Uani 1 1 d . . . . .
H03K H 0.873850 1.202252 0.777305 0.089 Uiso 1 1 calc R . . . .
C03L C 0.6116(4) 0.8181(3) 1.1136(3) 0.0813(17) Uani 1 1 d . . . . .
H03L H 0.593746 0.798650 1.154593 0.098 Uiso 1 1 calc R . . . .
C03M C 0.4100(5) 0.4003(3) 0.5465(2) 0.0805(15) Uani 1 1 d . . . . .
H03M H 0.427995 0.383955 0.503677 0.097 Uiso 1 1 calc R . . . .
C03N C 0.5316(4) 0.8072(3) 1.0615(4) 0.090(2) Uani 1 1 d . . . . .
H03N H 0.458465 0.780642 1.067716 0.108 Uiso 1 1 calc R . . . .
O1 O 0.44130(18) 0.84173(14) 0.79322(12) 0.0424(5) Uani 1 1 d . . . . .
H1F H 0.505853 0.847862 0.812939 0.064 Uiso 1 1 d G . . . .
H1G H 0.452629 0.849810 0.751918 0.064 Uiso 1 1 d G . . . .
N1 N 0.3678(3) 0.94375(19) 0.8578(2) 0.0647(10) Uani 1 1 d . . . . .
H1A H 0.389325 0.909109 0.833857 0.078 Uiso 1 1 calc R . . . .
H1B H 0.330009 0.922777 0.891374 0.078 Uiso 1 1 calc R . . . .
C3 C 0.7059(4) 0.9963(3) 0.7578(2) 0.0653(12) Uani 1 1 d . . . . .
H3A H 0.650360 0.982630 0.719058 0.098 Uiso 1 1 calc GR . . . .
H3B H 0.716739 1.046705 0.777223 0.098 Uiso 1 1 calc GR . . . .
H3C H 0.681778 0.963540 0.791869 0.098 Uiso 1 1 calc GR . . . .
C4 C 0.4662(4) 1.0036(3) 0.8887(3) 0.0758(14) Uani 1 1 d . . . . .
H4A H 0.510560 1.024203 0.853169 0.114 Uiso 1 1 calc GR . . . .
H4B H 0.509062 0.984496 0.919469 0.114 Uiso 1 1 calc GR . . . .
H4C H 0.444074 1.041831 0.913900 0.114 Uiso 1 1 calc GR . . . .
N0AA N 0.8097(3) 0.99035(19) 0.73536(17) 0.0584(9) Uani 1 1 d . . . . .
H0AA H 0.832718 1.021659 0.704465 0.070 Uiso 1 1 calc R . . . .
H0AB H 0.861341 1.003716 0.771304 0.070 Uiso 1 1 calc R . . . .
C2AA C 0.2936(4) 0.9670(3) 0.8126(3) 0.0713(13) Uani 1 1 d . . . . .
H2AA H 0.332151 0.987081 0.774774 0.107 Uiso 1 1 calc GR . . . .
H2AB H 0.269953 1.004429 0.837851 0.107 Uiso 1 1 calc GR . . . .
H2AC H 0.229761 0.924863 0.795367 0.107 Uiso 1 1 calc GR . . . .
O0AA O 1.0501(3) 1.1815(2) 0.7042(2) 0.0959(12) Uani 1 1 d D U . . .
H0AC H 1.037818 1.163957 0.742294 0.144 Uiso 1 1 d DG . . . .
H0AD H 1.090362 1.227194 0.712126 0.144 Uiso 1 1 d DG . . . .
N2 N 0.8122(3) 0.8809(2) 0.34129(19) 0.0721(11) Uani 1 1 d D . . . .
H2A H 0.805457 0.876339 0.385739 0.087 Uiso 1 1 calc R . . . .
H2B H 0.861671 0.859362 0.327448 0.087 Uiso 1 1 calc DR . . . .
C1 C 0.8489(7) 0.9552(3) 0.3327(3) 0.121(3) Uani 1 1 d . . . . .
H1C H 0.864846 0.960037 0.285856 0.182 Uiso 1 1 calc GR . . . .
H1D H 0.915201 0.980223 0.363035 0.182 Uiso 1 1 calc GR . . . .
H1E H 0.792127 0.977062 0.343211 0.182 Uiso 1 1 calc GR . . . .
C3AA C 0.7033(6) 0.8437(7) 0.3007(4) 0.196(6) Uani 1 1 d . . . . .
H3AA H 0.714987 0.825767 0.255177 0.294 Uiso 1 1 calc GR . . . .
H3AB H 0.663005 0.878614 0.297959 0.294 Uiso 1 1 calc GR . . . .
H3AC H 0.661204 0.802578 0.322751 0.294 Uiso 1 1 calc GR . . . .
C1AA C 0.7985(4) 0.9170(3) 0.7058(3) 0.0795(15) Uani 1 1 d . . . . .
H1AA H 0.748105 0.904131 0.664596 0.119 Uiso 1 1 calc GR . . . .
H1AB H 0.769791 0.882766 0.738046 0.119 Uiso 1 1 calc GR . . . .
H1AC H 0.869975 0.914417 0.694761 0.119 Uiso 1 1 calc GR . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag01 P002 2.4775(8) . ?
Ag01 P003 2.4942(8) . ?
Ag01 P004 2.5045(8) . ?
Ag01 P005 2.4963(8) . ?
P002 C00W 1.826(3) . ?
P002 C012 1.827(3) . ?
P002 C01R 1.834(3) . ?
P003 C00Y 1.827(3) . ?
P003 C00Z 1.823(3) . ?
P003 C015 1.824(3) . ?
P004 C01P 1.828(4) . ?
P004 C01Q 1.835(3) . ?
P004 C02L 1.826(4) . ?
P005 C00S 1.830(3) . ?
P005 C01E 1.819(3) . ?
P005 C02D 1.845(3) . ?
Al06 O00C 1.931(2) . ?
Al06 O00F 1.950(2) . ?
Al06 O00H 1.820(2) . ?
Al06 O00I 1.837(2) . ?
Al06 O00L 1.760(3) . ?
Al07 Al07 2.9085(17) 2_777 ?
Al07 O00B 1.870(2) . ?
Al07 O00B 1.874(2) 2_777 ?
Al07 O00D 1.916(3) . ?
Al07 O00J 1.917(3) . ?
Al07 O00K 1.844(2) . ?
Al07 O00P 1.827(2) . ?
Al08 Al08 2.9248(18) 2_676 ?
Al08 O00A 1.878(2) . ?
Al08 O00A 1.876(2) 2_676 ?
Al08 O00C 1.911(2) 2_676 ?
Al08 O00E 1.840(2) . ?
Al08 O00F 1.911(2) . ?
Al08 O00G 1.838(2) 2_676 ?
Al09 O00D 1.929(3) . ?
Al09 O00J 1.919(2) 2_777 ?
Al09 O00O 1.755(3) . ?
Al09 O00T 1.854(3) 2_777 ?
Al09 O010 1.810(3) . ?
O00A C016 1.376(4) . ?
O00B C00U 1.378(3) . ?
O00C C01I 1.370(4) . ?
O00D C01Z 1.360(4) . ?
O00E C00V 1.285(4) . ?
O00F C01V 1.366(4) . ?
O00G C01B 1.284(4) . ?
O00H C01O 1.335(4) . ?
O00I C027 1.338(4) . ?
O00J C01K 1.368(4) . ?
O00K C02S 1.284(4) . ?
O00L C023 1.341(4) . ?
O00N C00V 1.240(4) . ?
O00O C01M 1.351(4) . ?
O00P C02X 1.294(5) . ?
O00Q C01B 1.246(4) . ?
O00R C02S 1.239(4) . ?
C00S C01C 1.396(4) . ?
C00S C01S 1.400(5) . ?
O00T C02Q 1.337(5) . ?
C00U C00X 1.375(5) . ?
C00U C01M 1.393(5) . ?
C00V C01H 1.487(5) . ?
C00W C019 1.393(5) . ?
C00W C022 1.397(5) . ?
C00X H00X 0.9500 . ?
C00X C01L 1.394(4) . ?
C00Y C017 1.398(4) . ?
C00Y C020 1.379(5) . ?
C00Z C01U 1.391(5) . ?
C00Z C02B 1.391(5) . ?
O010 C039 1.314(6) . ?
C011 H01A 0.9900 . ?
C011 H01B 0.9900 . ?
C011 C015 1.540(4) . ?
C011 C01R 1.540(4) . ?
C012 C01J 1.388(4) . ?
C012 C02A 1.389(5) . ?
C014 H014 0.9500 . ?
C014 C01M 1.391(5) . ?
C014 C024 1.378(6) . ?
C015 H01C 0.9900 . ?
C015 H01D 0.9900 . ?
C016 C01X 1.379(5) . ?
C016 C023 1.392(5) . ?
C017 H017 0.9500 . ?
C017 C018 1.378(5) . ?
C018 H018 0.9500 . ?
C018 C01N 1.382(5) . ?
C019 H019 0.9500 . ?
C019 C02P 1.383(5) . ?
C01B C01W 1.484(5) . ?
C01C H01E 0.9500 . ?
C01C C028 1.378(5) . ?
C01D H01F 0.9900 . ?
C01D H01G 0.9900 . ?
C01D C01Q 1.539(5) . ?
C01D C02D 1.526(5) . ?
C01E C01T 1.400(4) . ?
C01E C02T 1.381(5) . ?
O01F C02X 1.233(5) . ?
C01G H01H 0.9500 . ?
C01G C021 1.382(5) . ?
C01G C028 1.374(6) . ?
C01H C01V 1.379(5) . ?
C01H C02I 1.412(5) . ?
C01I C01O 1.405(5) . ?
C01I C01W 1.389(5) . ?
C01J H01J 0.9500 . ?
C01J C02M 1.386(5) . ?
C01K C02C 1.383(5) . ?
C01K C02Q 1.382(6) . ?
C01L H01O 0.9500 . ?
C01L C024 1.377(5) . ?
C01N H01N 0.9500 . ?
C01N C01Y 1.375(5) . ?
C01O C025 1.390(5) . ?
C01P C02J 1.389(5) . ?
C01P C02Z 1.387(5) . ?
C01Q H01I 0.9900 . ?
C01Q H01K 0.9900 . ?
C01R H01L 0.9900 . ?
C01R H01M 0.9900 . ?
C01S H01S 0.9500 . ?
C01S C021 1.380(5) . ?
C01T H01T 0.9500 . ?
C01T C030 1.379(5) . ?
C01U H01U 0.9500 . ?
C01U C02N 1.386(5) . ?
C01V C027 1.402(5) . ?
C01W C035 1.409(5) . ?
C01X H01X 0.9500 . ?
C01X C02Y 1.390(5) . ?
C01Y H01Y 0.9500 . ?
C01Y C020 1.391(5) . ?
C01Z C02H 1.379(6) . ?
C01Z C039 1.419(6) . ?
C020 H020 0.9500 . ?
C021 H021 0.9500 . ?
C022 H022 0.9500 . ?
C022 C02E 1.389(5) . ?
C023 C02U 1.389(5) . ?
C024 H024 0.9500 . ?
C025 H025 0.9500 . ?
C025 C029 1.395(5) . ?
C027 C02W 1.375(5) . ?
C028 H028 0.9500 . ?
C029 H029 0.9500 . ?
C029 C035 1.366(5) . ?
C02A H02A 0.9500 . ?
C02A C02R 1.381(5) . ?
C02B H02B 0.9500 . ?
C02B C02O 1.390(5) . ?
C02C C02S 1.475(6) . ?
C02C C03B 1.402(5) . ?
C02D H02C 0.9900 . ?
C02D H02D 0.9900 . ?
C02E H02E 0.9500 . ?
C02E C02V 1.377(6) . ?
C02F H02F 0.9500 . ?
C02F C02L 1.386(5) . ?
C02F C03E 1.392(5) . ?
C02H C02X 1.496(7) . ?
C02H C03F 1.416(6) . ?
C02I H02I 0.9500 . ?
C02I C036 1.366(6) . ?
C02J H02J 0.9500 . ?
C02J C037 1.387(5) . ?
C02K H02K 0.9500 . ?
C02K C02U 1.389(5) . ?
C02K C02Y 1.371(6) . ?
C02L C034 1.389(5) . ?
C02M H02M 0.9500 . ?
C02M C032 1.366(6) . ?
C02N H02N 0.9500 . ?
C02N C031 1.369(6) . ?
C02O H02O 0.9500 . ?
C02O C031 1.375(6) . ?
C02P H02P 0.9500 . ?
C02P C02V 1.390(5) . ?
C02Q C03K 1.408(6) . ?
C02R H02R 0.9500 . ?
C02R C032 1.379(6) . ?
C02T H02T 0.9500 . ?
C02T C033 1.384(5) . ?
C02U H02U 0.9500 . ?
C02V H02V 0.9500 . ?
C02W H02W 0.9500 . ?
C02W C036 1.394(6) . ?
C02Y H02Y 0.9500 . ?
C02Z H02Z 0.9500 . ?
C02Z C03J 1.388(6) . ?
C030 H030 0.9500 . ?
C030 C038 1.376(5) . ?
C031 H031 0.9500 . ?
C032 H032 0.9500 . ?
C033 H033 0.9500 . ?
C033 C038 1.384(5) . ?
C034 H034 0.9500 . ?
C034 C03I 1.391(6) . ?
C035 H035 0.9500 . ?
C036 H036 0.9500 . ?
C037 H037 0.9500 . ?
C037 C03C 1.374(6) . ?
C038 H038 0.9500 . ?
C039 C03L 1.387(6) . ?
C03B H03B 0.9500 . ?
C03B C03G 1.335(8) . ?
C03C H03C 0.9500 . ?
C03C C03J 1.372(7) . ?
C03E H03E 0.9500 . ?
C03E C03M 1.381(7) . ?
C03F H03F 0.9500 . ?
C03F C03N 1.390(8) . ?
C03G H03G 0.9500 . ?
C03G C03K 1.384(8) . ?
C03I H03I 0.9500 . ?
C03I C03M 1.384(7) . ?
C03J H03J 0.9500 . ?
C03K H03K 0.9500 . ?
C03L H03L 0.9500 . ?
C03L C03N 1.376(9) . ?
C03M H03M 0.9500 . ?
C03N H03N 0.9500 . ?
O1 H1F 0.8706 . ?
O1 H1G 0.8699 . ?
N1 H1A 0.9100 . ?
N1 H1B 0.9100 . ?
N1 C4 1.482(6) . ?
N1 C2AA 1.481(6) . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C3 N0AA 1.477(6) . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
N0AA H0AA 0.9100 . ?
N0AA H0AB 0.9100 . ?
N0AA C1AA 1.446(6) . ?
C2AA H2AA 0.9800 . ?
C2AA H2AB 0.9800 . ?
C2AA H2AC 0.9800 . ?
O0AA H0AC 0.8701 . ?
O0AA H0AD 0.8705 . ?
N2 H2A 0.9100 . ?
N2 H2B 0.9100 . ?
N2 C1 1.404(6) . ?
N2 C3AA 1.510(8) . ?
C1 H1C 0.9800 . ?
C1 H1D 0.9800 . ?
C1 H1E 0.9800 . ?
C3AA H3AA 0.9800 . ?
C3AA H3AB 0.9800 . ?
C3AA H3AC 0.9800 . ?
C1AA H1AA 0.9800 . ?
C1AA H1AB 0.9800 . ?
C1AA H1AC 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P002 Ag01 P003 96.60(3) . . ?
P002 Ag01 P004 121.02(3) . . ?
P002 Ag01 P005 122.51(3) . . ?
P003 Ag01 P004 106.14(3) . . ?
P003 Ag01 P005 117.12(3) . . ?
P005 Ag01 P004 93.89(3) . . ?
C00W P002 Ag01 120.73(11) . . ?
C00W P002 C012 103.36(14) . . ?
C00W P002 C01R 104.03(15) . . ?
C012 P002 Ag01 112.87(11) . . ?
C012 P002 C01R 103.23(15) . . ?
C01R P002 Ag01 110.86(11) . . ?
C00Y P003 Ag01 119.69(10) . . ?
C00Z P003 Ag01 114.30(10) . . ?
C00Z P003 C00Y 102.94(14) . . ?
C00Z P003 C015 106.09(15) . . ?
C015 P003 Ag01 109.73(10) . . ?
C015 P003 C00Y 102.72(15) . . ?
C01P P004 Ag01 114.42(11) . . ?
C01P P004 C01Q 104.59(16) . . ?
C01Q P004 Ag01 108.20(11) . . ?
C02L P004 Ag01 121.51(12) . . ?
C02L P004 C01P 101.67(17) . . ?
C02L P004 C01Q 104.88(17) . . ?
C00S P005 Ag01 123.89(11) . . ?
C00S P005 C02D 103.49(16) . . ?
C01E P005 Ag01 113.24(11) . . ?
C01E P005 C00S 102.21(15) . . ?
C01E P005 C02D 103.69(16) . . ?
C02D P005 Ag01 108.25(12) . . ?
O00C Al06 O00F 88.36(10) . . ?
O00H Al06 O00C 83.96(10) . . ?
O00H Al06 O00F 149.34(11) . . ?
O00H Al06 O00I 87.23(11) . . ?
O00I Al06 O00C 145.76(11) . . ?
O00I Al06 O00F 82.60(10) . . ?
O00L Al06 O00C 109.97(11) . . ?
O00L Al06 O00F 105.17(12) . . ?
O00L Al06 O00H 105.36(12) . . ?
O00L Al06 O00I 104.26(12) . . ?
O00B Al07 Al07 38.98(6) 2_777 2_777 ?
O00B Al07 Al07 39.08(6) . 2_777 ?
O00B Al07 O00B 78.06(10) . 2_777 ?
O00B Al07 O00D 84.29(10) . . ?
O00B Al07 O00D 90.13(10) 2_777 . ?
O00B Al07 O00J 89.40(10) . . ?
O00B Al07 O00J 85.35(10) 2_777 . ?
O00D Al07 Al07 86.42(8) . 2_777 ?
O00D Al07 O00J 172.89(10) . . ?
O00J Al07 Al07 86.62(8) . 2_777 ?
O00K Al07 Al07 132.78(9) . 2_777 ?
O00K Al07 O00B 93.74(10) . . ?
O00K Al07 O00B 171.43(11) . 2_777 ?
O00K Al07 O00D 91.56(11) . . ?
O00K Al07 O00J 92.11(11) . . ?
O00P Al07 Al07 132.22(9) . 2_777 ?
O00P Al07 O00B 93.32(10) . 2_777 ?
O00P Al07 O00B 170.77(11) . . ?
O00P Al07 O00D 92.51(12) . . ?
O00P Al07 O00J 93.22(12) . . ?
O00P Al07 O00K 95.00(11) . . ?
O00A Al08 Al08 38.84(7) 2_676 2_676 ?
O00A Al08 Al08 38.79(7) . 2_676 ?
O00A Al08 O00A 77.62(11) 2_676 . ?
O00A Al08 O00C 90.55(10) . 2_676 ?
O00A Al08 O00C 84.95(9) 2_676 2_676 ?
O00A Al08 O00F 84.48(10) . . ?
O00A Al08 O00F 89.74(10) 2_676 . ?
O00C Al08 Al08 87.12(8) 2_676 2_676 ?
O00C Al08 O00F 173.40(10) 2_676 . ?
O00E Al08 Al08 132.94(9) . 2_676 ?
O00E Al08 O00A 171.25(11) . . ?
O00E Al08 O00A 94.17(10) . 2_676 ?
O00E Al08 O00C 91.76(11) . 2_676 ?
O00E Al08 O00F 92.52(11) . . ?
O00F Al08 Al08 86.29(8) . 2_676 ?
O00G Al08 Al08 133.27(10) 2_676 2_676 ?
O00G Al08 O00A 94.56(11) 2_676 . ?
O00G Al08 O00A 171.53(11) 2_676 2_676 ?
O00G Al08 O00C 91.94(10) 2_676 2_676 ?
O00G Al08 O00E 93.79(11) 2_676 . ?
O00G Al08 O00F 92.78(10) 2_676 . ?
O00J Al09 O00D 88.14(10) 2_777 . ?
O00O Al09 O00D 111.53(12) . . ?
O00O Al09 O00J 104.58(13) . 2_777 ?
O00O Al09 O00T 100.20(15) . 2_777 ?
O00O Al09 O010 106.18(14) . . ?
O00T Al09 O00D 148.25(14) 2_777 . ?
O00T Al09 O00J 82.77(13) 2_777 2_777 ?
O010 Al09 O00D 84.36(13) . . ?
O010 Al09 O00J 148.98(14) . 2_777 ?
O010 Al09 O00T 87.95(17) . 2_777 ?
Al08 O00A Al08 102.37(10) 2_676 . ?
C016 O00A Al08 125.76(19) . 2_676 ?
C016 O00A Al08 131.18(19) . . ?
Al07 O00B Al07 101.94(10) . 2_777 ?
C00U O00B Al07 130.34(18) . 2_777 ?
C00U O00B Al07 127.14(17) . . ?
Al08 O00C Al06 124.51(11) 2_676 . ?
C01I O00C Al06 111.99(19) . . ?
C01I O00C Al08 119.2(2) . 2_676 ?
Al07 O00D Al09 125.05(12) . . ?
C01Z O00D Al07 119.9(2) . . ?
C01Z O00D Al09 111.8(2) . . ?
C00V O00E Al08 131.2(2) . . ?
Al08 O00F Al06 124.70(12) . . ?
C01V O00F Al06 112.7(2) . . ?
C01V O00F Al08 120.5(2) . . ?
C01B O00G Al08 129.4(2) . 2_676 ?
C01O O00H Al06 115.8(2) . . ?
C027 O00I Al06 116.4(2) . . ?
Al07 O00J Al09 124.09(12) . 2_777 ?
C01K O00J Al07 119.4(2) . . ?
C01K O00J Al09 112.7(2) . 2_777 ?
C02S O00K Al07 131.4(3) . . ?
C023 O00L Al06 135.3(2) . . ?
C01M O00O Al09 134.0(2) . . ?
C02X O00P Al07 130.0(3) . . ?
C01C C00S P005 122.9(3) . . ?
C01C C00S C01S 117.8(3) . . ?
C01S C00S P005 119.2(2) . . ?
C02Q O00T Al09 115.8(3) . 2_777 ?
O00B C00U C01M 117.3(3) . . ?
C00X C00U O00B 121.6(3) . . ?
C00X C00U C01M 121.1(3) . . ?
O00E C00V C01H 118.7(3) . . ?
O00N C00V O00E 122.4(3) . . ?
O00N C00V C01H 118.9(3) . . ?
C019 C00W P002 118.4(3) . . ?
C019 C00W C022 118.7(3) . . ?
C022 C00W P002 122.7(3) . . ?
C00U C00X H00X 120.0 . . ?
C00U C00X C01L 120.1(3) . . ?
C01L C00X H00X 120.0 . . ?
C017 C00Y P003 122.5(3) . . ?
C020 C00Y P003 119.1(2) . . ?
C020 C00Y C017 118.3(3) . . ?
C01U C00Z P003 123.3(3) . . ?
C01U C00Z C02B 118.4(3) . . ?
C02B C00Z P003 118.0(3) . . ?
C039 O010 Al09 115.3(3) . . ?
H01A C011 H01B 107.5 . . ?
C015 C011 H01A 108.5 . . ?
C015 C011 H01B 108.5 . . ?
C015 C011 C01R 114.9(3) . . ?
C01R C011 H01A 108.5 . . ?
C01R C011 H01B 108.5 . . ?
C01J C012 P002 122.2(3) . . ?
C01J C012 C02A 118.4(3) . . ?
C02A C012 P002 119.4(3) . . ?
C01M C014 H014 119.3 . . ?
C024 C014 H014 119.3 . . ?
C024 C014 C01M 121.3(4) . . ?
P003 C015 H01C 109.2 . . ?
P003 C015 H01D 109.2 . . ?
C011 C015 P003 112.0(2) . . ?
C011 C015 H01C 109.2 . . ?
C011 C015 H01D 109.2 . . ?
H01C C015 H01D 107.9 . . ?
O00A C016 C01X 120.8(3) . . ?
O00A C016 C023 117.6(3) . . ?
C01X C016 C023 121.6(3) . . ?
C00Y C017 H017 119.8 . . ?
C018 C017 C00Y 120.4(3) . . ?
C018 C017 H017 119.8 . . ?
C017 C018 H018 119.8 . . ?
C017 C018 C01N 120.5(3) . . ?
C01N C018 H018 119.8 . . ?
C00W C019 H019 119.4 . . ?
C02P C019 C00W 121.1(3) . . ?
C02P C019 H019 119.4 . . ?
O00G C01B C01W 119.6(3) . . ?
O00Q C01B O00G 120.6(3) . . ?
O00Q C01B C01W 119.8(3) . . ?
C00S C01C H01E 119.6 . . ?
C028 C01C C00S 120.8(3) . . ?
C028 C01C H01E 119.6 . . ?
H01F C01D H01G 107.3 . . ?
C01Q C01D H01F 108.1 . . ?
C01Q C01D H01G 108.1 . . ?
C02D C01D H01F 108.1 . . ?
C02D C01D H01G 108.1 . . ?
C02D C01D C01Q 116.9(3) . . ?
C01T C01E P005 122.3(2) . . ?
C02T C01E P005 118.3(2) . . ?
C02T C01E C01T 119.4(3) . . ?
C021 C01G H01H 120.4 . . ?
C028 C01G H01H 120.4 . . ?
C028 C01G C021 119.2(3) . . ?
C01V C01H C00V 123.1(3) . . ?
C01V C01H C02I 118.1(3) . . ?
C02I C01H C00V 118.8(3) . . ?
O00C C01I C01O 112.8(3) . . ?
O00C C01I C01W 125.1(3) . . ?
C01W C01I C01O 122.1(3) . . ?
C012 C01J H01J 119.7 . . ?
C02M C01J C012 120.5(3) . . ?
C02M C01J H01J 119.7 . . ?
O00J C01K C02C 125.2(3) . . ?
O00J C01K C02Q 113.9(3) . . ?
C02Q C01K C02C 120.9(3) . . ?
C00X C01L H01O 120.3 . . ?
C024 C01L C00X 119.4(3) . . ?
C024 C01L H01O 120.3 . . ?
O00O C01M C00U 121.7(3) . . ?
O00O C01M C014 120.4(3) . . ?
C014 C01M C00U 117.9(3) . . ?
C018 C01N H01N 120.1 . . ?
C01Y C01N C018 119.8(3) . . ?
C01Y C01N H01N 120.1 . . ?
O00H C01O C01I 115.5(3) . . ?
O00H C01O C025 125.4(3) . . ?
C025 C01O C01I 119.2(3) . . ?
C02J C01P P004 118.2(3) . . ?
C02Z C01P P004 123.4(3) . . ?
C02Z C01P C02J 118.4(3) . . ?
P004 C01Q H01I 108.5 . . ?
P004 C01Q H01K 108.5 . . ?
C01D C01Q P004 115.0(2) . . ?
C01D C01Q H01I 108.5 . . ?
C01D C01Q H01K 108.5 . . ?
H01I C01Q H01K 107.5 . . ?
P002 C01R H01L 108.6 . . ?
P002 C01R H01M 108.6 . . ?
C011 C01R P002 114.5(2) . . ?
C011 C01R H01L 108.6 . . ?
C011 C01R H01M 108.6 . . ?
H01L C01R H01M 107.6 . . ?
C00S C01S H01S 119.6 . . ?
C021 C01S C00S 120.8(3) . . ?
C021 C01S H01S 119.6 . . ?
C01E C01T H01T 120.0 . . ?
C030 C01T C01E 120.1(3) . . ?
C030 C01T H01T 120.0 . . ?
C00Z C01U H01U 119.7 . . ?
C02N C01U C00Z 120.6(4) . . ?
C02N C01U H01U 119.7 . . ?
O00F C01V C01H 126.1(3) . . ?
O00F C01V C027 112.7(3) . . ?
C01H C01V C027 121.2(3) . . ?
C01I C01W C01B 121.9(3) . . ?
C01I C01W C035 117.1(3) . . ?
C035 C01W C01B 120.9(3) . . ?
C016 C01X H01X 120.1 . . ?
C016 C01X C02Y 119.9(4) . . ?
C02Y C01X H01X 120.1 . . ?
C01N C01Y H01Y 120.2 . . ?
C01N C01Y C020 119.6(3) . . ?
C020 C01Y H01Y 120.2 . . ?
O00D C01Z C02H 124.5(4) . . ?
O00D C01Z C039 111.9(3) . . ?
C02H C01Z C039 123.5(4) . . ?
C00Y C020 C01Y 121.3(3) . . ?
C00Y C020 H020 119.3 . . ?
C01Y C020 H020 119.3 . . ?
C01G C021 H021 119.8 . . ?
C01S C021 C01G 120.5(4) . . ?
C01S C021 H021 119.8 . . ?
C00W C022 H022 120.0 . . ?
C02E C022 C00W 120.0(3) . . ?
C02E C022 H022 120.0 . . ?
O00L C023 C016 121.4(3) . . ?
O00L C023 C02U 121.2(3) . . ?
C02U C023 C016 117.4(3) . . ?
C014 C024 H024 119.9 . . ?
C01L C024 C014 120.2(3) . . ?
C01L C024 H024 119.9 . . ?
C01O C025 H025 120.5 . . ?
C01O C025 C029 119.1(3) . . ?
C029 C025 H025 120.5 . . ?
O00I C027 C01V 115.3(3) . . ?
O00I C027 C02W 124.8(3) . . ?
C02W C027 C01V 119.9(3) . . ?
C01C C028 H028 119.5 . . ?
C01G C028 C01C 120.9(3) . . ?
C01G C028 H028 119.5 . . ?
C025 C029 H029 119.4 . . ?
C035 C029 C025 121.1(3) . . ?
C035 C029 H029 119.4 . . ?
C012 C02A H02A 119.7 . . ?
C02R C02A C012 120.5(4) . . ?
C02R C02A H02A 119.7 . . ?
C00Z C02B H02B 119.8 . . ?
C02O C02B C00Z 120.5(4) . . ?
C02O C02B H02B 119.8 . . ?
C01K C02C C02S 122.9(3) . . ?
C01K C02C C03B 118.6(4) . . ?
C03B C02C C02S 118.5(4) . . ?
P005 C02D H02C 108.5 . . ?
P005 C02D H02D 108.5 . . ?
C01D C02D P005 115.2(2) . . ?
C01D C02D H02C 108.5 . . ?
C01D C02D H02D 108.5 . . ?
H02C C02D H02D 107.5 . . ?
C022 C02E H02E 119.7 . . ?
C02V C02E C022 120.6(4) . . ?
C02V C02E H02E 119.7 . . ?
C02L C02F H02F 119.6 . . ?
C02L C02F C03E 120.8(4) . . ?
C03E C02F H02F 119.6 . . ?
C01Z C02H C02X 122.6(4) . . ?
C01Z C02H C03F 116.9(5) . . ?
C03F C02H C02X 120.4(4) . . ?
C01H C02I H02I 119.7 . . ?
C036 C02I C01H 120.5(4) . . ?
C036 C02I H02I 119.7 . . ?
C01P C02J H02J 119.3 . . ?
C037 C02J C01P 121.4(3) . . ?
C037 C02J H02J 119.3 . . ?
C02U C02K H02K 119.8 . . ?
C02Y C02K H02K 119.8 . . ?
C02Y C02K C02U 120.3(4) . . ?
C02F C02L P004 117.2(3) . . ?
C02F C02L C034 118.8(4) . . ?
C034 C02L P004 124.1(3) . . ?
C01J C02M H02M 119.8 . . ?
C032 C02M C01J 120.4(4) . . ?
C032 C02M H02M 119.8 . . ?
C01U C02N H02N 119.9 . . ?
C031 C02N C01U 120.3(4) . . ?
C031 C02N H02N 119.9 . . ?
C02B C02O H02O 120.0 . . ?
C031 C02O C02B 120.1(4) . . ?
C031 C02O H02O 120.0 . . ?
C019 C02P H02P 120.2 . . ?
C019 C02P C02V 119.5(4) . . ?
C02V C02P H02P 120.2 . . ?
O00T C02Q C01K 114.7(3) . . ?
O00T C02Q C03K 126.1(4) . . ?
C01K C02Q C03K 119.2(4) . . ?
C02A C02R H02R 119.9 . . ?
C032 C02R C02A 120.3(4) . . ?
C032 C02R H02R 119.9 . . ?
O00K C02S C02C 118.7(3) . . ?
O00R C02S O00K 122.0(4) . . ?
O00R C02S C02C 119.4(3) . . ?
C01E C02T H02T 119.9 . . ?
C01E C02T C033 120.2(3) . . ?
C033 C02T H02T 119.9 . . ?
C023 C02U C02K 121.2(4) . . ?
C023 C02U H02U 119.4 . . ?
C02K C02U H02U 119.4 . . ?
C02E C02V C02P 120.0(3) . . ?
C02E C02V H02V 120.0 . . ?
C02P C02V H02V 120.0 . . ?
C027 C02W H02W 120.4 . . ?
C027 C02W C036 119.2(4) . . ?
C036 C02W H02W 120.4 . . ?
O00P C02X C02H 119.0(3) . . ?
O01F C02X O00P 120.6(5) . . ?
O01F C02X C02H 120.4(4) . . ?
C01X C02Y H02Y 120.3 . . ?
C02K C02Y C01X 119.5(4) . . ?
C02K C02Y H02Y 120.3 . . ?
C01P C02Z H02Z 120.2 . . ?
C01P C02Z C03J 119.6(4) . . ?
C03J C02Z H02Z 120.2 . . ?
C01T C030 H030 119.9 . . ?
C038 C030 C01T 120.2(3) . . ?
C038 C030 H030 119.9 . . ?
C02N C031 C02O 120.1(3) . . ?
C02N C031 H031 119.9 . . ?
C02O C031 H031 119.9 . . ?
C02M C032 C02R 119.7(4) . . ?
C02M C032 H032 120.1 . . ?
C02R C032 H032 120.1 . . ?
C02T C033 H033 120.0 . . ?
C038 C033 C02T 120.1(4) . . ?
C038 C033 H033 120.0 . . ?
C02L C034 H034 119.7 . . ?
C02L C034 C03I 120.7(4) . . ?
C03I C034 H034 119.7 . . ?
C01W C035 H035 119.3 . . ?
C029 C035 C01W 121.4(3) . . ?
C029 C035 H035 119.3 . . ?
C02I C036 C02W 121.0(3) . . ?
C02I C036 H036 119.5 . . ?
C02W C036 H036 119.5 . . ?
C02J C037 H037 120.1 . . ?
C03C C037 C02J 119.8(4) . . ?
C03C C037 H037 120.1 . . ?
C030 C038 C033 120.1(3) . . ?
C030 C038 H038 120.0 . . ?
C033 C038 H038 120.0 . . ?
O010 C039 C01Z 116.4(3) . . ?
O010 C039 C03L 125.8(5) . . ?
C03L C039 C01Z 117.8(5) . . ?
C02C C03B H03B 119.5 . . ?
C03G C03B C02C 120.9(5) . . ?
C03G C03B H03B 119.5 . . ?
C037 C03C H03C 120.4 . . ?
C03J C03C C037 119.2(4) . . ?
C03J C03C H03C 120.4 . . ?
C02F C03E H03E 120.1 . . ?
C03M C03E C02F 119.8(4) . . ?
C03M C03E H03E 120.1 . . ?
C02H C03F H03F 120.2 . . ?
C03N C03F C02H 119.6(5) . . ?
C03N C03F H03F 120.2 . . ?
C03B C03G H03G 119.2 . . ?
C03B C03G C03K 121.5(4) . . ?
C03K C03G H03G 119.2 . . ?
C034 C03I H03I 120.1 . . ?
C03M C03I C034 119.9(5) . . ?
C03M C03I H03I 120.1 . . ?
C02Z C03J H03J 119.2 . . ?
C03C C03J C02Z 121.6(4) . . ?
C03C C03J H03J 119.2 . . ?
C02Q C03K H03K 120.6 . . ?
C03G C03K C02Q 118.9(5) . . ?
C03G C03K H03K 120.6 . . ?
C039 C03L H03L 120.3 . . ?
C03N C03L C039 119.5(6) . . ?
C03N C03L H03L 120.3 . . ?
C03E C03M C03I 120.0(4) . . ?
C03E C03M H03M 120.0 . . ?
C03I C03M H03M 120.0 . . ?
C03F C03N H03N 118.7 . . ?
C03L C03N C03F 122.5(5) . . ?
C03L C03N H03N 118.7 . . ?
H1F O1 H1G 104.5 . . ?
H1A N1 H1B 107.6 . . ?
C4 N1 H1A 108.7 . . ?
C4 N1 H1B 108.7 . . ?
C2AA N1 H1A 108.7 . . ?
C2AA N1 H1B 108.7 . . ?
C2AA N1 C4 114.3(4) . . ?
H3A C3 H3B 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
N0AA C3 H3A 109.5 . . ?
N0AA C3 H3B 109.5 . . ?
N0AA C3 H3C 109.5 . . ?
N1 C4 H4A 109.5 . . ?
N1 C4 H4B 109.5 . . ?
N1 C4 H4C 109.5 . . ?
H4A C4 H4B 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C3 N0AA H0AA 109.2 . . ?
C3 N0AA H0AB 109.2 . . ?
H0AA N0AA H0AB 107.9 . . ?
C1AA N0AA C3 111.9(4) . . ?
C1AA N0AA H0AA 109.2 . . ?
C1AA N0AA H0AB 109.2 . . ?
N1 C2AA H2AA 109.5 . . ?
N1 C2AA H2AB 109.5 . . ?
N1 C2AA H2AC 109.5 . . ?
H2AA C2AA H2AB 109.5 . . ?
H2AA C2AA H2AC 109.5 . . ?
H2AB C2AA H2AC 109.5 . . ?
H0AC O0AA H0AD 109.5 . . ?
H2A N2 H2B 108.2 . . ?
C1 N2 H2A 109.7 . . ?
C1 N2 H2B 109.7 . . ?
C1 N2 C3AA 109.8(7) . . ?
C3AA N2 H2A 109.7 . . ?
C3AA N2 H2B 109.7 . . ?
N2 C1 H1C 109.5 . . ?
N2 C1 H1D 109.5 . . ?
N2 C1 H1E 109.5 . . ?
H1C C1 H1D 109.5 . . ?
H1C C1 H1E 109.5 . . ?
H1D C1 H1E 109.5 . . ?
N2 C3AA H3AA 109.5 . . ?
N2 C3AA H3AB 109.5 . . ?
N2 C3AA H3AC 109.5 . . ?
H3AA C3AA H3AB 109.5 . . ?
H3AA C3AA H3AC 109.5 . . ?
H3AB C3AA H3AC 109.5 . . ?
N0AA C1AA H1AA 109.5 . . ?
N0AA C1AA H1AB 109.5 . . ?
N0AA C1AA H1AC 109.5 . . ?
H1AA C1AA H1AB 109.5 . . ?
H1AA C1AA H1AC 109.5 . . ?
H1AB C1AA H1AC 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Ag01 P002 C00W C019 62.0(3) . . . . ?
Ag01 P002 C00W C022 -112.7(3) . . . . ?
Ag01 P002 C012 C01J -172.1(2) . . . . ?
Ag01 P002 C012 C02A 8.6(3) . . . . ?
Ag01 P002 C01R C011 -48.0(3) . . . . ?
Ag01 P003 C00Y C017 -164.1(2) . . . . ?
Ag01 P003 C00Y C020 14.9(3) . . . . ?
Ag01 P003 C00Z C01U 109.3(3) . . . . ?
Ag01 P003 C00Z C02B -65.1(3) . . . . ?
Ag01 P003 C015 C011 55.2(2) . . . . ?
Ag01 P004 C01P C02J -31.2(3) . . . . ?
Ag01 P004 C01P C02Z 149.5(3) . . . . ?
Ag01 P004 C01Q C01D 58.7(3) . . . . ?
Ag01 P004 C02L C02F 44.5(4) . . . . ?
Ag01 P004 C02L C034 -136.4(4) . . . . ?
Ag01 P005 C00S C01C -94.7(3) . . . . ?
Ag01 P005 C00S C01S 81.2(3) . . . . ?
Ag01 P005 C01E C01T -168.6(3) . . . . ?
Ag01 P005 C01E C02T 11.8(3) . . . . ?
Ag01 P005 C02D C01D -58.3(3) . . . . ?
P002 C00W C019 C02P -174.9(3) . . . . ?
P002 C00W C022 C02E 173.3(3) . . . . ?
P002 C012 C01J C02M 178.9(3) . . . . ?
P002 C012 C02A C02R -179.3(4) . . . . ?
P003 C00Y C017 C018 179.2(3) . . . . ?
P003 C00Y C020 C01Y -179.7(3) . . . . ?
P003 C00Z C01U C02N -175.4(3) . . . . ?
P003 C00Z C02B C02O 175.9(3) . . . . ?
P004 C01P C02J C037 -179.1(3) . . . . ?
P004 C01P C02Z C03J 179.4(3) . . . . ?
P004 C02L C034 C03I -180.0(4) . . . . ?
P005 C00S C01C C028 177.0(3) . . . . ?
P005 C00S C01S C021 -177.2(3) . . . . ?
P005 C01E C01T C030 -180.0(3) . . . . ?
P005 C01E C02T C033 179.2(3) . . . . ?
Al06 O00C C01I C01O 1.8(3) . . . . ?
Al06 O00C C01I C01W -177.9(3) . . . . ?
Al06 O00F C01V C01H 174.5(3) . . . . ?
Al06 O00F C01V C027 -5.3(3) . . . . ?
Al06 O00H C01O C01I 0.3(4) . . . . ?
Al06 O00H C01O C025 -179.8(3) . . . . ?
Al06 O00I C027 C01V 3.4(4) . . . . ?
Al06 O00I C027 C02W -175.7(3) . . . . ?
Al06 O00L C023 C016 -8.9(5) . . . . ?
Al06 O00L C023 C02U 170.1(3) . . . . ?
Al07 Al07 O00B C00U 172.0(3) 2_777 . . . ?
Al07 Al07 O00K C02S 111.5(3) 2_777 . . . ?
Al07 Al07 O00P C02X 114.0(3) 2_777 . . . ?
Al07 O00B C00U C00X 90.8(3) 2_777 . . . ?
Al07 O00B C00U C00X -78.9(3) . . . . ?
Al07 O00B C00U C01M 99.3(3) . . . . ?
Al07 O00B C00U C01M -91.0(3) 2_777 . . . ?
Al07 O00D C01Z C02H 25.3(4) . . . . ?
Al07 O00D C01Z C039 -156.7(3) . . . . ?
Al07 O00J C01K C02C 25.4(4) . . . . ?
Al07 O00J C01K C02Q -155.3(3) . . . . ?
Al07 O00K C02S O00R 176.6(3) . . . . ?
Al07 O00K C02S C02C -3.5(5) . . . . ?
Al07 O00P C02X O01F 175.9(3) . . . . ?
Al07 O00P C02X C02H -5.4(5) . . . . ?
Al08 Al08 O00A C016 -170.7(3) 2_676 . . . ?
Al08 Al08 O00E C00V -115.3(3) 2_676 . . . ?
Al08 O00A C016 C01X -78.9(4) 2_676 . . . ?
Al08 O00A C016 C01X 89.9(4) . . . . ?
Al08 O00A C016 C023 99.3(3) 2_676 . . . ?
Al08 O00A C016 C023 -91.9(3) . . . . ?
Al08 O00C C01I C01O -155.9(2) 2_676 . . . ?
Al08 O00C C01I C01W 24.4(4) 2_676 . . . ?
Al08 O00E C00V O00N -165.2(3) . . . . ?
Al08 O00E C00V C01H 15.0(5) . . . . ?
Al08 O00F C01V C01H -21.2(4) . . . . ?
Al08 O00F C01V C027 158.9(2) . . . . ?
Al08 O00G C01B O00Q 171.1(3) 2_676 . . . ?
Al08 O00G C01B C01W -11.0(6) 2_676 . . . ?
Al09 O00D C01Z C02H -173.9(3) . . . . ?
Al09 O00D C01Z C039 4.1(4) . . . . ?
Al09 O00J C01K C02C -175.5(3) 2_777 . . . ?
Al09 O00J C01K C02Q 3.7(4) 2_777 . . . ?
Al09 O00O C01M C00U -16.5(5) . . . . ?
Al09 O00O C01M C014 164.3(3) . . . . ?
Al09 O00T C02Q C01K -1.9(5) 2_777 . . . ?
Al09 O00T C02Q C03K 179.1(4) 2_777 . . . ?
Al09 O010 C039 C01Z -2.3(5) . . . . ?
Al09 O010 C039 C03L 178.4(4) . . . . ?
O00A Al08 O00A Al08 -0.002(1) 2_676 . . 2_676 ?
O00A Al08 O00A C016 -170.7(3) 2_676 . . . ?
O00A Al08 O00E C00V -117.9(3) 2_676 . . . ?
O00A C016 C01X C02Y 177.9(3) . . . . ?
O00A C016 C023 O00L -0.8(5) . . . . ?
O00A C016 C023 C02U -179.8(3) . . . . ?
O00B Al07 O00B Al07 -0.002(1) 2_777 . . 2_777 ?
O00B Al07 O00B C00U 172.0(3) 2_777 . . . ?
O00B Al07 O00K C02S 113.6(3) . . . . ?
O00B Al07 O00P C02X 116.8(3) 2_777 . . . ?
O00B C00U C00X C01L 178.0(3) . . . . ?
O00B C00U C01M O00O 3.4(5) . . . . ?
O00B C00U C01M C014 -177.4(3) . . . . ?
O00C Al06 O00H C01O 0.5(2) . . . . ?
O00C Al06 O00I C027 71.0(3) . . . . ?
O00C Al06 O00L C023 -36.8(4) . . . . ?
O00C Al08 O00A Al08 84.70(10) 2_676 . . 2_676 ?
O00C Al08 O00A C016 -86.0(3) 2_676 . . . ?
O00C Al08 O00E C00V 157.0(3) 2_676 . . . ?
O00C C01I C01O O00H -1.4(4) . . . . ?
O00C C01I C01O C025 178.7(3) . . . . ?
O00C C01I C01W C01B 6.4(6) . . . . ?
O00C C01I C01W C035 -178.0(4) . . . . ?
O00D Al07 O00B Al07 91.34(11) . . . 2_777 ?
O00D Al07 O00B C00U -96.7(3) . . . . ?
O00D Al07 O00K C02S -162.0(3) . . . . ?
O00D Al07 O00P C02X 26.5(3) . . . . ?
O00D Al09 O00O C01M -30.1(4) . . . . ?
O00D Al09 O010 C039 3.6(3) . . . . ?
O00D C01Z C02H C02X 5.1(6) . . . . ?
O00D C01Z C02H C03F -177.5(3) . . . . ?
O00D C01Z C039 O010 -1.4(5) . . . . ?
O00D C01Z C039 C03L 178.0(4) . . . . ?
O00E C00V C01H C01V 4.7(5) . . . . ?
O00E C00V C01H C02I -175.1(3) . . . . ?
O00F Al06 O00H C01O -75.9(3) . . . . ?
O00F Al06 O00I C027 -5.0(2) . . . . ?
O00F Al06 O00L C023 57.0(4) . . . . ?
O00F Al08 O00A Al08 -90.95(11) . . . 2_676 ?
O00F Al08 O00A C016 98.3(3) . . . . ?
O00F Al08 O00E C00V -28.0(3) . . . . ?
O00F C01V C027 O00I 1.5(4) . . . . ?
O00F C01V C027 C02W -179.3(3) . . . . ?
O00G Al08 O00A Al08 176.69(11) 2_676 . . 2_676 ?
O00G Al08 O00A C016 6.0(3) 2_676 . . . ?
O00G Al08 O00E C00V 64.9(3) 2_676 . . . ?
O00G C01B C01W C01I -15.0(6) . . . . ?
O00G C01B C01W C035 169.6(4) . . . . ?
O00H Al06 O00I C027 146.1(2) . . . . ?
O00H Al06 O00L C023 -125.9(3) . . . . ?
O00H C01O C025 C029 179.0(3) . . . . ?
O00I Al06 O00H C01O -146.3(2) . . . . ?
O00I Al06 O00L C023 143.1(3) . . . . ?
O00I C027 C02W C036 178.8(4) . . . . ?
O00J Al07 O00B Al07 -85.38(11) . . . 2_777 ?
O00J Al07 O00B C00U 86.6(3) . . . . ?
O00J Al07 O00K C02S 24.1(3) . . . . ?
O00J Al07 O00P C02X -157.7(3) . . . . ?
O00J Al09 O00O C01M 63.7(4) 2_777 . . . ?
O00J Al09 O010 C039 -73.3(4) 2_777 . . . ?
O00J C01K C02C C02S 3.7(5) . . . . ?
O00J C01K C02C C03B -179.2(3) . . . . ?
O00J C01K C02Q O00T -1.3(5) . . . . ?
O00J C01K C02Q C03K 177.8(3) . . . . ?
O00K Al07 O00B Al07 -177.46(13) . . . 2_777 ?
O00K Al07 O00B C00U -5.5(3) . . . . ?
O00K Al07 O00P C02X -65.3(3) . . . . ?
O00L Al06 O00H C01O 109.6(2) . . . . ?
O00L Al06 O00I C027 -108.8(2) . . . . ?
O00L C023 C02U C02K -176.5(4) . . . . ?
O00N C00V C01H C01V -175.1(3) . . . . ?
O00N C00V C01H C02I 5.2(5) . . . . ?
O00O Al09 O010 C039 114.4(3) . . . . ?
O00P Al07 O00K C02S -69.3(3) . . . . ?
O00Q C01B C01W C01I 163.0(4) . . . . ?
O00Q C01B C01W C035 -12.5(7) . . . . ?
C00S P005 C01E C01T -33.1(3) . . . . ?
C00S P005 C01E C02T 147.4(3) . . . . ?
C00S P005 C02D C01D 168.6(3) . . . . ?
C00S C01C C028 C01G 0.3(5) . . . . ?
C00S C01S C021 C01G -0.2(6) . . . . ?
O00T Al09 O00O C01M 148.8(3) 2_777 . . . ?
O00T Al09 O010 C039 -145.6(3) 2_777 . . . ?
O00T C02Q C03K C03G -179.1(4) . . . . ?
C00U C00X C01L C024 0.4(5) . . . . ?
C00V C01H C01V O00F 0.1(5) . . . . ?
C00V C01H C01V C027 179.9(3) . . . . ?
C00V C01H C02I C036 178.9(4) . . . . ?
C00W P002 C012 C01J -40.0(3) . . . . ?
C00W P002 C012 C02A 140.6(3) . . . . ?
C00W P002 C01R C011 -179.2(2) . . . . ?
C00W C019 C02P C02V 1.3(6) . . . . ?
C00W C022 C02E C02V 1.5(6) . . . . ?
C00X C00U C01M O00O -178.4(3) . . . . ?
C00X C00U C01M C014 0.9(5) . . . . ?
C00X C01L C024 C014 -1.3(5) . . . . ?
C00Y P003 C00Z C01U -119.3(3) . . . . ?
C00Y P003 C00Z C02B 66.3(3) . . . . ?
C00Y P003 C015 C011 -73.2(2) . . . . ?
C00Y C017 C018 C01N 0.0(5) . . . . ?
C00Z P003 C00Y C017 67.8(3) . . . . ?
C00Z P003 C00Y C020 -113.2(3) . . . . ?
C00Z P003 C015 C011 179.1(2) . . . . ?
C00Z C01U C02N C031 0.1(6) . . . . ?
C00Z C02B C02O C031 -0.4(5) . . . . ?
O010 Al09 O00O C01M -120.4(3) . . . . ?
O010 C039 C03L C03N -179.7(4) . . . . ?
C012 P002 C00W C019 -65.3(3) . . . . ?
C012 P002 C00W C022 120.0(3) . . . . ?
C012 P002 C01R C011 73.1(3) . . . . ?
C012 C01J C02M C032 0.0(6) . . . . ?
C012 C02A C02R C032 0.9(8) . . . . ?
C015 P003 C00Y C017 -42.3(3) . . . . ?
C015 P003 C00Y C020 136.7(3) . . . . ?
C015 P003 C00Z C01U -11.8(3) . . . . ?
C015 P003 C00Z C02B 173.8(2) . . . . ?
C015 C011 C01R P002 84.4(3) . . . . ?
C016 C01X C02Y C02K 1.1(6) . . . . ?
C016 C023 C02U C02K 2.6(6) . . . . ?
C017 C00Y C020 C01Y -0.7(5) . . . . ?
C017 C018 C01N C01Y 0.3(5) . . . . ?
C018 C01N C01Y C020 -0.8(5) . . . . ?
C019 C00W C022 C02E -1.4(5) . . . . ?
C019 C02P C02V C02E -1.3(6) . . . . ?
C01B C01W C035 C029 175.4(4) . . . . ?
C01C C00S C01S C021 -1.1(5) . . . . ?
C01E P005 C00S C01C 136.1(3) . . . . ?
C01E P005 C00S C01S -48.0(3) . . . . ?
C01E P005 C02D C01D 62.2(3) . . . . ?
C01E C01T C030 C038 0.5(6) . . . . ?
C01E C02T C033 C038 1.0(7) . . . . ?
C01H C01V C027 O00I -178.3(3) . . . . ?
C01H C01V C027 C02W 0.8(5) . . . . ?
C01H C02I C036 C02W 1.4(7) . . . . ?
C01I C01O C025 C029 -1.1(5) . . . . ?
C01I C01W C035 C029 -0.3(6) . . . . ?
C01J C012 C02A C02R 1.3(6) . . . . ?
C01J C02M C032 C02R 2.2(7) . . . . ?
C01K C02C C02S O00K -16.5(5) . . . . ?
C01K C02C C02S O00R 163.3(3) . . . . ?
C01K C02C C03B C03G 0.9(6) . . . . ?
C01K C02Q C03K C03G 1.9(6) . . . . ?
C01M C00U C00X C01L -0.2(5) . . . . ?
C01M C014 C024 C01L 2.1(5) . . . . ?
C01N C01Y C020 C00Y 1.0(5) . . . . ?
C01O C01I C01W C01B -173.3(3) . . . . ?
C01O C01I C01W C035 2.3(6) . . . . ?
C01O C025 C029 C035 3.1(6) . . . . ?
C01P P004 C01Q C01D -179.0(2) . . . . ?
C01P P004 C02L C02F -83.9(3) . . . . ?
C01P P004 C02L C034 95.2(4) . . . . ?
C01P C02J C037 C03C -0.7(6) . . . . ?
C01P C02Z C03J C03C 0.1(7) . . . . ?
C01Q P004 C01P C02J -149.4(3) . . . . ?
C01Q P004 C01P C02Z 31.3(4) . . . . ?
C01Q P004 C02L C02F 167.4(3) . . . . ?
C01Q P004 C02L C034 -13.5(4) . . . . ?
C01Q C01D C02D P005 80.4(4) . . . . ?
C01R P002 C00W C019 -172.9(3) . . . . ?
C01R P002 C00W C022 12.4(3) . . . . ?
C01R P002 C012 C01J 68.2(3) . . . . ?
C01R P002 C012 C02A -111.2(3) . . . . ?
C01R C011 C015 P003 -88.8(3) . . . . ?
C01S C00S C01C C028 1.1(5) . . . . ?
C01T C01E C02T C033 -0.3(6) . . . . ?
C01T C030 C038 C033 0.2(7) . . . . ?
C01U C00Z C02B C02O 1.2(5) . . . . ?
C01U C02N C031 C02O 0.7(6) . . . . ?
C01V C01H C02I C036 -0.9(6) . . . . ?
C01V C027 C02W C036 -0.3(6) . . . . ?
C01W C01I C01O O00H 178.2(3) . . . . ?
C01W C01I C01O C025 -1.6(5) . . . . ?
C01X C016 C023 O00L 177.4(3) . . . . ?
C01X C016 C023 C02U -1.7(5) . . . . ?
C01Z C02H C02X O00P -17.0(5) . . . . ?
C01Z C02H C02X O01F 161.7(4) . . . . ?
C01Z C02H C03F C03N -2.4(6) . . . . ?
C01Z C039 C03L C03N 1.0(7) . . . . ?
C020 C00Y C017 C018 0.2(5) . . . . ?
C021 C01G C028 C01C -1.7(6) . . . . ?
C022 C00W C019 C02P 0.0(5) . . . . ?
C022 C02E C02V C02P -0.1(6) . . . . ?
C023 C016 C01X C02Y -0.2(5) . . . . ?
C024 C014 C01M O00O 177.4(3) . . . . ?
C024 C014 C01M C00U -1.8(5) . . . . ?
C025 C029 C035 C01W -2.4(7) . . . . ?
C027 C02W C036 C02I -0.9(7) . . . . ?
C028 C01G C021 C01S 1.6(6) . . . . ?
C02A C012 C01J C02M -1.7(5) . . . . ?
C02A C02R C032 C02M -2.6(8) . . . . ?
C02B C00Z C01U C02N -1.1(5) . . . . ?
C02B C02O C031 C02N -0.5(5) . . . . ?
C02C C01K C02Q O00T 178.0(3) . . . . ?
C02C C01K C02Q C03K -2.9(6) . . . . ?
C02C C03B C03G C03K -1.8(6) . . . . ?
C02D P005 C00S C01C 28.6(3) . . . . ?
C02D P005 C00S C01S -155.5(3) . . . . ?
C02D P005 C01E C01T 74.3(3) . . . . ?
C02D P005 C01E C02T -105.3(3) . . . . ?
C02D C01D C01Q P004 -80.7(3) . . . . ?
C02F C02L C034 C03I -0.9(8) . . . . ?
C02F C03E C03M C03I -0.3(9) . . . . ?
C02H C01Z C039 O010 176.6(4) . . . . ?
C02H C01Z C039 C03L -4.0(6) . . . . ?
C02H C03F C03N C03L -0.4(7) . . . . ?
C02I C01H C01V O00F 179.9(3) . . . . ?
C02I C01H C01V C027 -0.3(5) . . . . ?
C02J C01P C02Z C03J 0.1(6) . . . . ?
C02J C037 C03C C03J 0.9(7) . . . . ?
C02L P004 C01P C02J 101.6(3) . . . . ?
C02L P004 C01P C02Z -77.6(3) . . . . ?
C02L P004 C01Q C01D -72.4(3) . . . . ?
C02L C02F C03E C03M 1.1(7) . . . . ?
C02L C034 C03I C03M 1.7(9) . . . . ?
C02Q C01K C02C C02S -175.5(3) . . . . ?
C02Q C01K C02C C03B 1.5(5) . . . . ?
C02S C02C C03B C03G 178.0(4) . . . . ?
C02T C01E C01T C030 -0.4(5) . . . . ?
C02T C033 C038 C030 -0.9(7) . . . . ?
C02U C02K C02Y C01X -0.2(6) . . . . ?
C02X C02H C03F C03N 174.9(4) . . . . ?
C02Y C02K C02U C023 -1.7(7) . . . . ?
C02Z C01P C02J C037 0.2(6) . . . . ?
C034 C03I C03M C03E -1.2(9) . . . . ?
C037 C03C C03J C02Z -0.6(7) . . . . ?
C039 C01Z C02H C02X -172.6(4) . . . . ?
C039 C01Z C02H C03F 4.7(6) . . . . ?
C039 C03L C03N C03F 1.1(8) . . . . ?
C03B C02C C02S O00K 166.4(3) . . . . ?
C03B C02C C02S O00R -13.7(5) . . . . ?
C03B C03G C03K C02Q 0.4(7) . . . . ?
C03E C02F C02L P004 178.6(4) . . . . ?
C03E C02F C02L C034 -0.5(7) . . . . ?
C03F C02H C02X O00P 165.8(3) . . . . ?
C03F C02H C02X O01F -15.5(6) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.233 0.286 0.957 44.2 2.2 ?
2 0.167 0.259 0.611 7.2 0.4 ?
3 0.459 0.299 0.781 9.4 0.3 ?
4 0.541 0.701 0.219 9.4 0.3 ?
5 0.767 0.714 0.043 44.2 2.2 ?
6 0.833 0.741 0.389 7.2 0.4 ?

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 2.203
_oxdiff_exptl_absorpt_empirical_full_min 0.669
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_hy_CCDC1
_database_code_depnum_ccdc_archive 'CCDC 2303392'
loop_
_audit_author_name
_audit_author_address
'Fan Yang'
;UCAS
China
;
_audit_update_record             
;
2023-12-08 deposited with the CCDC.	2024-07-17 downloaded from the CCDC.
;
_audit_creation_date             2023-11-03
_audit_creation_method           
;
Olex2 1.5-beta
(compiled 2023.08.24 svn.re1ec1418 for OlexSys, GUI svn.r6817)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'C62 H48 Ag N2 O P2, C40 H21 Al4 O20, 2(C2 H8 N)'
_chemical_formula_sum            'C106 H85 Ag Al4 N4 O21 P2'
_chemical_formula_weight         2028.51
_chemical_melting_point          ?
_chemical_oxdiff_formula         'Al Ag C H O N P'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0137 0.0067 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag 0.0782 3.3823 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Al Al 0.1771 0.1873 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0241 0.0134 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0389 0.0241 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2543 0.3332 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           61
_space_group_name_H-M_alt        'P b c a'
_space_group_name_Hall           '-P 2ac 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, z-1/2'
'-x-1/2, y-1/2, z'

_cell_length_a                   22.2866(13)
_cell_length_b                   22.3784(8)
_cell_length_c                   43.3645(19)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     21627.5(18)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    36533
_cell_measurement_temperature    99.9(4)
_cell_measurement_theta_max      59.8020
_cell_measurement_theta_min      2.1020
_shelx_estimated_absorpt_T_max   0.720
_shelx_estimated_absorpt_T_min   0.720
_exptl_absorpt_coefficient_mu    1.761
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.74264
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.115a (Rigaku Oxford Diffraction, 2021)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.246
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             8368
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1286
_diffrn_reflns_av_unetI/netI     0.0972
_diffrn_reflns_Laue_measured_fraction_full 0.887
_diffrn_reflns_Laue_measured_fraction_max 0.887
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       43
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            37448
_diffrn_reflns_point_group_measured_fraction_full 0.887
_diffrn_reflns_point_group_measured_fraction_max 0.887
_diffrn_reflns_theta_full        42.619
_diffrn_reflns_theta_max         42.619
_diffrn_reflns_theta_min         2.472
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.887
_diffrn_measured_fraction_theta_max 0.887
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω   -107.00 -37.00   0.50    0.06    --  -79.29 125.00-150.00  140
  2  ω    -97.00 -69.00   0.50    0.06    --  -79.29 108.00-139.00   56
  3  ω   -105.00 -72.00   0.50    0.06    --  -79.29  77.00-120.00   66
  4  ω    -63.00 -26.00   0.50    0.06    --  -79.29  77.00-120.00   74
  5  ω    -68.00 -10.00   0.50    0.06    --  -79.29  30.00  60.00  116
  6  ω    -72.00 -23.00   0.50    0.05    --   -1.48 -77.00 120.00   98
  7  ω     -9.00  30.00   0.50    0.05    --   -1.48 -77.00 120.00   78
  8  ω    -80.00 -54.00   0.50    0.05    --   -1.48 -38.00 -90.00   52
  9  ω     -8.00  21.00   0.50    0.05    --   -1.48 -38.00 -90.00   58
 10  ω     -6.00  39.00   0.50    0.05    --   -1.48 -99.00 -30.00   90
 11  ω     -8.00  17.00   0.50    0.05    --   -1.48 -99.00-150.00   50
 12  ω     -7.00  22.00   0.50    0.05    --   -1.48 -99.00-180.00   58
 13  ω     -7.00  18.00   0.50    0.05    --   -1.48 -99.00-120.00   50
 14  ω     -6.00  32.00   0.50    0.05    --   -1.48 -99.00   0.00   76
 15  ω     36.00 101.00   0.50    0.06    --   76.33-125.00   0.00  130
 16  ω     24.00  92.00   0.50    0.06    --   76.33-125.00 -30.00  136
 17  ω     22.00 105.00   0.50    0.06    --   76.33-125.00 120.00  166
 18  ω     50.00 103.00   0.50    0.06    --   76.33-108.00 123.00  106
 19  ω     48.00 102.00   0.50    0.06    --   76.33 -61.00 -60.00  108
 20  ω      8.00  75.00   0.50    0.06    --   76.33 -45.00 -60.00  134
 21  ω      3.00  61.00   0.50    0.06    --   76.33 -45.00  90.00  116
 22  ω     95.00 121.00   0.50    0.06    --   76.33 125.00 -30.00   52
 23  ω     80.00 141.00   0.50    0.06    --   76.33 125.00-180.00  122
 24  ω     94.00 120.00   0.50    0.06    --   76.33 108.00-139.00   52
 25  ω   -152.00 -54.00   0.50    0.06    --  -79.29 -45.00 150.00  196
 26  ω   -156.00 -55.00   0.50    0.06    --  -79.29 -45.00 120.00  202
 27  ω   -155.00 -84.00   0.50    0.06    --  -79.29 -94.00  90.00  142
 28  ω   -132.00 -87.00   0.50    0.06    --  -79.29-108.00 123.00   90
 29  ω   -131.50-119.00   0.50    0.06    --  -79.29 -61.00  30.00   25
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'ROD, Synergy Custom system, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0376145000
_diffrn_orient_matrix_UB_12      0.0021623000
_diffrn_orient_matrix_UB_13      -0.0240903000
_diffrn_orient_matrix_UB_21      -0.0427890000
_diffrn_orient_matrix_UB_22      0.0260126000
_diffrn_orient_matrix_UB_23      -0.0170439000
_diffrn_orient_matrix_UB_31      0.0191044000
_diffrn_orient_matrix_UB_32      0.0538073000
_diffrn_orient_matrix_UB_33      0.0092062000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           GaK\a
_diffrn_radiation_wavelength     1.3405
_diffrn_source                   'micro-focus metaljet'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                7376
_reflns_number_total             10359
_reflns_odcompleteness_completeness 47.40
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     56.82
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.41.115a (Rigaku OD, 2021)'
_computing_data_collection       'CrysAlisPro 1.171.41.115a (Rigaku OD, 2021)'
_computing_data_reduction        'CrysAlisPro 1.171.41.115a (Rigaku OD, 2021)'
_computing_molecular_graphics    'Olex2 1.5-beta (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5-beta (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         2.731
_refine_diff_density_min         -1.260
_refine_diff_density_rms         0.139
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.439
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1248
_refine_ls_number_reflns         10359
_refine_ls_number_restraints     96
_refine_ls_R_factor_all          0.1615
_refine_ls_R_factor_gt           0.1386
_refine_ls_restrained_S_all      1.438
_refine_ls_shift/su_max          0.010
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.2000P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3636
_refine_ls_wR_factor_ref         0.3777
_refine_special_details          ?
_olex2_refinement_description    
;
1. Uiso/Uaniso restraints and constraints
Uanis(C02J) \\sim Ueq, Uanis(C01G) \\sim Ueq, Uanis(C03C) \\sim Ueq,
Uanis(C03M) \\sim Ueq, Uanis(C01M) \\sim Ueq, Uanis(C01L) \\sim Ueq,
Uanis(C00Z) \\sim Ueq, Uanis(C01S) \\sim Ueq, Uanis(C02K) \\sim Ueq,
Uanis(C028) \\sim Ueq, Uanis(C00R) \\sim Ueq, Uanis(C01B) \\sim Ueq,
Uanis(C01Y) \\sim Ueq, Uanis(C01W) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C01K) \\sim Ueq, Uanis(C03K) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
2.a Riding coordinates:
 C03T(H03,HC,HD)
2.b Secondary CH2 refined with riding coordinates:
 N010(H01A,H01B), N01D(H01C,H01D)
2.c Aromatic/amide H refined with riding coordinates:
 C012(H012), C014(H014), C017(H017), C01J(H01J), C01K(H01K), C01L(H01L),
 C01N(H01N), C01P(H01P), C01R(H01R), C01S(H01S), C01Z(H01Z), C020(H020),
 C021(H021), C022(H022), C024(H024), C028(H028), C029(H029), C02B(H02B),
 C02C(H02C), C02D(H02D), C02E(H02E), C02F(H02F), C02H(H02H), C02J(H02J),
 C02K(H02K), C02L(H02L), C02M(H02M), C02N(H02N), C02O(H02O), C02P(H02P),
 C02Q(H02Q), C02T(H02T), C02U(H02U), C02V(H02V), C02W(H02W), C02X(H02X),
 C02Y(H02Y), C02Z(H02Z), C032(H032), C033(H033), C034(H034), C036(H036),
 C037(H037), C038(H038), C039(H039), C03A(H03D), C03B(H03E), C03C(H03F),
 C03D(H03G), C03E(H03H), C03F(H03I), C03G(H03J), C03H(H03K), C03I(H03L),
 C03J(H03M), C03L(H03Q), C03M(H03R), C03O(H03S), C03P(H03T), C03Q(H03U),
 C03S(H03V), C03W(H03W)
2.d Tetrahedral OH refined with riding coordinates:
 O00S(H00S)
2.e Idealised Me refined as rotating group:
 C030(H03A,H03B,H03C), C03K(H03N,H03O,H03P), C03N(H03X,H03Y,H), C03R(H03Z,HA,
 HB), C03X(H0AA,HE,HF)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag01 Ag 0.42398(6) 0.57993(5) 0.22879(2) 0.0667(5) Uani 1 1 d . . . . .
Al02 Al 0.65898(19) 0.19609(14) 0.51696(8) 0.0415(10) Uani 1 1 d . . . . .
Al03 Al 0.7045(2) 0.32086(16) 0.55614(9) 0.0495(11) Uani 1 1 d . . . . .
Al04 Al 0.57893(19) 0.29959(15) 0.51230(8) 0.0423(11) Uani 1 1 d . . . . .
Al05 Al 0.5350(2) 0.17391(15) 0.47264(9) 0.0471(11) Uani 1 1 d . . . . .
P006 P 0.4019(2) 0.67949(15) 0.20869(9) 0.0636(12) Uani 1 1 d . . . . .
P007 P 0.3335(2) 0.51470(17) 0.23370(9) 0.0649(12) Uani 1 1 d . . . . .
O008 O 0.6176(4) 0.1614(3) 0.48221(17) 0.041(2) Uani 1 1 d . . . . .
O009 O 0.5825(4) 0.2210(3) 0.52936(18) 0.041(2) Uani 1 1 d . . . . .
O00A O 0.6553(4) 0.2728(3) 0.50028(17) 0.039(2) Uani 1 1 d . . . . .
O00B O 0.5859(4) 0.3715(3) 0.4926(2) 0.049(2) Uani 1 1 d . . . . .
O00C O 0.6197(4) 0.3288(3) 0.54807(18) 0.050(2) Uani 1 1 d . . . . .
O00D O 0.5455(4) 0.2610(3) 0.47720(18) 0.043(2) Uani 1 1 d . . . . .
O00E O 0.7319(4) 0.1779(3) 0.49866(18) 0.046(2) Uani 1 1 d . . . . .
O00F O 0.7383(5) 0.3535(3) 0.5224(2) 0.052(2) Uani 1 1 d . . . . .
O00G O 0.8023(5) 0.1193(4) 0.4789(2) 0.062(3) Uani 1 1 d . . . . .
O00H O 0.6568(5) 0.1255(3) 0.53850(19) 0.051(2) Uani 1 1 d . . . . .
O00I O 0.4869(5) 0.1606(4) 0.5036(2) 0.057(3) Uani 1 1 d . . . . .
O00J O 0.6972(4) 0.2367(3) 0.55127(17) 0.039(2) Uani 1 1 d . . . . .
O00K O 0.4962(5) 0.1963(4) 0.43787(19) 0.055(3) Uani 1 1 d . . . . .
O00L O 0.5045(4) 0.3179(3) 0.52796(19) 0.051(2) Uani 1 1 d . . . . .
O00M O 0.5407(5) 0.0985(4) 0.4565(2) 0.065(3) Uani 1 1 d . . . . .
O00N O 0.7720(5) 0.3002(4) 0.5782(2) 0.058(3) Uani 1 1 d . . . . .
O00O O 0.3156(6) 0.5909(4) 0.1827(2) 0.071(3) Uani 1 1 d . . . . .
O00P O 0.5765(6) 0.4443(4) 0.4587(3) 0.088(4) Uani 1 1 d . . . . .
O00Q O 0.6896(5) 0.3795(4) 0.5837(2) 0.070(3) Uani 1 1 d . . . . .
C00R C 0.7364(6) 0.3429(5) 0.4926(3) 0.037(3) Uani 1 1 d . U . . .
O00S O 0.6974(6) 0.0491(4) 0.5618(3) 0.096(4) Uani 1 1 d . . . . .
H00S H 0.6975 0.0439 0.5805 0.144 Uiso 1 1 calc R . . . .
O00T O 0.4374(7) 0.3804(6) 0.5458(3) 0.113(5) Uani 1 1 d . . . . .
N00U N 0.4945(7) 0.5150(6) 0.2064(3) 0.074(4) Uani 1 1 d . . . . .
C00V C 0.7421(7) 0.1431(6) 0.5693(3) 0.053(4) Uani 1 1 d . . . . .
C00W C 0.6958(7) 0.3012(5) 0.4805(3) 0.043(3) Uani 1 1 d . . . . .
C00X C 0.5286(6) 0.2899(5) 0.4506(3) 0.040(3) Uani 1 1 d . . . . .
C00Y C 0.5424(7) 0.1948(5) 0.5476(3) 0.041(3) Uani 1 1 d . . . . .
C00Z C 0.5960(8) 0.0800(5) 0.4528(3) 0.050(4) Uani 1 1 d . U . . .
N010 N 0.6282(7) 0.5203(5) 0.4993(3) 0.073(4) Uani 1 1 d . . . . .
H01A H 0.6412 0.5521 0.4889 0.088 Uiso 1 1 calc R . . . .
H01B H 0.6116 0.4952 0.4858 0.088 Uiso 1 1 calc R . . . .
C011 C 0.4934(7) 0.1627(5) 0.5345(3) 0.048(4) Uani 1 1 d . . . . .
C012 C 0.4852(8) 0.2749(6) 0.4013(3) 0.060(4) Uani 1 1 d . . . . .
H012 H 0.4719 0.2486 0.3862 0.073 Uiso 1 1 calc R . . . .
C013 C 0.7396(7) 0.2054(6) 0.5676(3) 0.050(4) Uani 1 1 d . . . . .
C014 C 0.6969(7) 0.2879(6) 0.4496(4) 0.056(4) Uani 1 1 d . . . . .
H014 H 0.6714 0.2588 0.4417 0.067 Uiso 1 1 calc R . . . .
C015 C 0.5015(7) 0.2535(6) 0.4297(3) 0.046(4) Uani 1 1 d . . . . .
C016 C 0.2650(7) 0.5579(6) 0.2265(3) 0.054(4) Uani 1 1 d . . . . .
C017 C 0.7714(8) 0.3725(6) 0.4721(3) 0.059(4) Uani 1 1 d . . . . .
H017 H 0.7954 0.4035 0.4793 0.071 Uiso 1 1 calc R . . . .
C018 C 0.6978(7) 0.1041(6) 0.5562(3) 0.048(4) Uani 1 1 d . . . . .
C019 C 0.5382(7) 0.3512(6) 0.4445(3) 0.047(4) Uani 1 1 d . . . . .
C01A C 0.7481(8) 0.1337(6) 0.4819(3) 0.052(4) Uani 1 1 d . . . . .
C01B C 0.4895(9) 0.3642(7) 0.5446(3) 0.065(4) Uani 1 1 d . U . . .
C01C C 0.6417(7) 0.1129(5) 0.4671(3) 0.039(3) Uani 1 1 d . . . . .
N01D N 0.8821(8) 0.2115(5) 0.4933(3) 0.081(5) Uani 1 1 d . . . . .
H01C H 0.8651 0.1761 0.4901 0.097 Uiso 1 1 calc R . . . .
H01D H 0.9213 0.2074 0.4900 0.097 Uiso 1 1 calc R . . . .
C01E C 0.7828(7) 0.2424(6) 0.5825(3) 0.050(4) Uani 1 1 d . . . . .
C01F C 0.3793(8) 0.6761(6) 0.1694(3) 0.057(4) Uani 1 1 d . . . . .
C01G C 0.2649(8) 0.5962(6) 0.2014(3) 0.058(4) Uani 1 1 d . U . . .
C01H C 0.5716(8) 0.5035(6) 0.3110(3) 0.064(5) Uani 1 1 d . . . . .
C01I C 0.3354(8) 0.4536(6) 0.2060(3) 0.058(5) Uani 1 1 d . . . . .
C01J C 0.6113(8) 0.4369(7) 0.2689(3) 0.066(5) Uani 1 1 d . . . . .
H01J H 0.6380 0.4208 0.2831 0.079 Uiso 1 1 calc R . . . .
C01K C 0.7733(8) 0.3589(6) 0.4413(4) 0.064(4) Uani 1 1 d . U . . .
H01K H 0.8004 0.3785 0.4284 0.076 Uiso 1 1 calc R . . . .
C01L C 0.6122(8) 0.4150(6) 0.2396(3) 0.065(4) Uani 1 1 d . U . . .
H01L H 0.6388 0.3850 0.2337 0.077 Uiso 1 1 calc R . . . .
C01M C 0.5686(7) 0.4413(6) 0.2173(3) 0.043(3) Uani 1 1 d . U . . .
C01N C 0.4528(8) 0.1346(6) 0.5537(4) 0.064(4) Uani 1 1 d . . . . .
H01N H 0.4206 0.1140 0.5451 0.077 Uiso 1 1 calc R . . . .
C01O C 0.5339(8) 0.3915(6) 0.5648(3) 0.059(4) Uani 1 1 d . . . . .
C01P C 0.5483(7) 0.1972(5) 0.5794(3) 0.050(4) Uani 1 1 d . . . . .
H01P H 0.5799 0.2180 0.5884 0.060 Uiso 1 1 calc R . . . .
C01Q C 0.7009(8) 0.0984(5) 0.4657(3) 0.050(4) Uani 1 1 d . . . . .
C01R C 0.7926(6) 0.1194(6) 0.5863(3) 0.054(4) Uani 1 1 d . . . . .
H01R H 0.7976 0.0782 0.5873 0.065 Uiso 1 1 calc R . . . .
C01S C 0.6154(8) 0.0303(6) 0.4350(3) 0.058(4) Uani 1 1 d . U . . .
H01S H 0.5874 0.0074 0.4244 0.070 Uiso 1 1 calc R . . . .
N01T N 0.4988(7) 0.5582(6) 0.2651(3) 0.061(4) Uani 1 1 d . . . . .
C01V C 0.5680(8) 0.3906(7) 0.4659(4) 0.067(5) Uani 1 1 d . . . . .
C01W C 0.5917(7) 0.3727(6) 0.5657(3) 0.045(3) Uani 1 1 d . U . . .
C01X C 0.5341(9) 0.5076(7) 0.2575(3) 0.066(5) Uani 1 1 d . . . . .
C01Y C 0.6360(9) 0.4008(7) 0.5850(3) 0.067(4) Uani 1 1 d . U . . .
C01Z C 0.6074(8) 0.4186(7) 0.3429(4) 0.067(4) Uani 1 1 d . . . . .
H01Z H 0.5875 0.3922 0.3298 0.080 Uiso 1 1 calc R . . . .
C020 C 0.3953(8) 0.7142(7) 0.1458(3) 0.065(4) Uani 1 1 d . . . . .
H020 H 0.4233 0.7438 0.1502 0.079 Uiso 1 1 calc R . . . .
C021 C 0.4592(10) 0.1363(7) 0.5855(4) 0.082(6) Uani 1 1 d . . . . .
H021 H 0.4321 0.1162 0.5981 0.098 Uiso 1 1 calc R . . . .
C022 C 0.7372(7) 0.3186(6) 0.4298(3) 0.054(4) Uani 1 1 d . . . . .
H022 H 0.7378 0.3101 0.4088 0.065 Uiso 1 1 calc R . . . .
C023 C 0.5714(8) 0.4835(6) 0.2793(3) 0.060(5) Uani 1 1 d . . . . .
C024 C 0.5212(8) 0.3742(6) 0.4162(3) 0.066(5) Uani 1 1 d . . . . .
H024 H 0.5300 0.4134 0.4107 0.079 Uiso 1 1 calc R . . . .
C025 C 0.4932(9) 0.4987(7) 0.1773(4) 0.072(5) Uani 1 1 d . . . . .
C026 C 0.3350(9) 0.6334(7) 0.1612(3) 0.067(5) Uani 1 1 d . . . . .
C027 C 0.5335(8) 0.4879(6) 0.2263(3) 0.053(4) Uani 1 1 d . . . . .
C028 C 0.7179(7) 0.0489(5) 0.4484(3) 0.052(4) Uani 1 1 d . U . . .
H028 H 0.7580 0.0377 0.4468 0.062 Uiso 1 1 calc R . . . .
C029 C 0.5181(10) 0.4398(7) 0.5840(4) 0.085(6) Uani 1 1 d . . . . .
H029 H 0.4791 0.4545 0.5836 0.103 Uiso 1 1 calc R . . . .
C02A C 0.3419(9) 0.7184(6) 0.2266(3) 0.067(5) Uani 1 1 d . . . . .
C02B C 0.5049(10) 0.1674(7) 0.5981(4) 0.079(5) Uani 1 1 d . . . . .
H02B H 0.5082 0.1694 0.6194 0.095 Uiso 1 1 calc R . . . .
C02C C 0.8324(9) 0.1541(8) 0.6008(3) 0.078(5) Uani 1 1 d . . . . .
H02C H 0.8643 0.1372 0.6115 0.093 Uiso 1 1 calc R . . . .
C02D C 0.3796(9) 0.4131(7) 0.2076(5) 0.089(6) Uani 1 1 d . . . . .
H02D H 0.4071 0.4162 0.2237 0.107 Uiso 1 1 calc R . . . .
C02E C 0.3317(10) 0.6698(8) 0.1096(3) 0.082(6) Uani 1 1 d . . . . .
H02E H 0.3170 0.6674 0.0896 0.098 Uiso 1 1 calc R . . . .
C02F C 0.5589(9) 0.4651(7) 0.6028(4) 0.084(6) Uani 1 1 d . . . . .
H02F H 0.5465 0.4955 0.6160 0.101 Uiso 1 1 calc R . . . .
C02G C 0.4636(10) 0.7309(7) 0.2077(4) 0.077(5) Uani 1 1 d . . . . .
C02H C 0.6225(9) 0.2625(7) 0.1744(6) 0.098(7) Uani 1 1 d . . . . .
H02H H 0.6129 0.2240 0.1808 0.118 Uiso 1 1 calc R . . . .
C02I C 0.5659(8) 0.4220(9) 0.1871(3) 0.075(5) Uani 1 1 d . . . . .
C02J C 0.1707(10) 0.5990(9) 0.2398(4) 0.084(5) Uani 1 1 d . U . . .
H02J H 0.1374 0.6013 0.2526 0.101 Uiso 1 1 calc R . . . .
C02K C 0.6735(9) 0.0166(7) 0.4336(3) 0.067(4) Uani 1 1 d . U . . .
H02K H 0.6849 -0.0165 0.4220 0.081 Uiso 1 1 calc R . . . .
C02L C 0.4882(8) 0.3335(7) 0.3951(3) 0.069(5) Uani 1 1 d . . . . .
H02L H 0.4697 0.3487 0.3776 0.083 Uiso 1 1 calc R . . . .
C02M C 0.3105(10) 0.6306(7) 0.1313(4) 0.086(6) Uani 1 1 d . . . . .
H02M H 0.2807 0.6030 0.1265 0.103 Uiso 1 1 calc R . . . .
C02N C 0.2115(10) 0.5611(8) 0.2461(5) 0.095(6) Uani 1 1 d . . . . .
H02N H 0.2075 0.5358 0.2630 0.115 Uiso 1 1 calc R . . . .
C02O C 0.2179(11) 0.6362(7) 0.1956(4) 0.085(6) Uani 1 1 d . . . . .
H02O H 0.2181 0.6616 0.1787 0.103 Uiso 1 1 calc R . . . .
C02P C 0.6400(10) 0.5176(7) 0.3551(4) 0.085(6) Uani 1 1 d . . . . .
H02P H 0.6419 0.5581 0.3503 0.102 Uiso 1 1 calc R . . . .
C02Q C 0.5360(10) 0.5516(8) 0.3160(4) 0.086(6) Uani 1 1 d . . . . .
H02Q H 0.5357 0.5683 0.3357 0.104 Uiso 1 1 calc R . . . .
C02R C 0.6030(9) 0.3671(7) 0.1751(3) 0.073(5) Uani 1 1 d . . . . .
C02S C 0.6100(9) 0.4802(7) 0.3354(3) 0.074(5) Uani 1 1 d . . . . .
C02T C 0.3731(10) 0.7117(7) 0.1163(4) 0.078(5) Uani 1 1 d . . . . .
H02T H 0.3864 0.7383 0.1013 0.093 Uiso 1 1 calc R . . . .
C02U C 0.6673(10) 0.4981(10) 0.3814(4) 0.100(7) Uani 1 1 d . . . . .
H02U H 0.6873 0.5236 0.3948 0.120 Uiso 1 1 calc R . . . .
C02V C 0.6407(10) 0.3739(8) 0.1508(3) 0.079(6) Uani 1 1 d . . . . .
H02V H 0.6455 0.4108 0.1413 0.094 Uiso 1 1 calc R . . . .
C02W C 0.8256(9) 0.2172(7) 0.5996(3) 0.074(5) Uani 1 1 d . . . . .
H02W H 0.8515 0.2413 0.6109 0.088 Uiso 1 1 calc R . . . .
C02X C 0.4617(12) 0.7879(9) 0.2198(5) 0.112(8) Uani 1 1 d . . . . .
H02X H 0.4269 0.8029 0.2287 0.134 Uiso 1 1 calc R . . . .
C02Y C 0.6337(12) 0.3983(9) 0.3687(4) 0.101(8) Uani 1 1 d . . . . .
H02Y H 0.6311 0.3579 0.3736 0.122 Uiso 1 1 calc R . . . .
C02Z C 0.3100(12) 0.7674(7) 0.2118(4) 0.096(7) Uani 1 1 d . . . . .
H02Z H 0.3222 0.7798 0.1924 0.115 Uiso 1 1 calc R . . . .
C030 C 0.4532(10) 0.5304(8) 0.1554(3) 0.094(7) Uani 1 1 d . . . . .
H03A H 0.4735 0.5356 0.1360 0.141 Uiso 1 1 calc GR . . . .
H03B H 0.4427 0.5688 0.1637 0.141 Uiso 1 1 calc GR . . . .
H03C H 0.4174 0.5073 0.1522 0.141 Uiso 1 1 calc GR . . . .
C031 C 0.5007(10) 0.5770(6) 0.2940(4) 0.074(6) Uani 1 1 d . . . . .
C032 C 0.6711(10) 0.3256(11) 0.1411(4) 0.094(6) Uani 1 1 d . . . . .
H032 H 0.6978 0.3311 0.1248 0.113 Uiso 1 1 calc R . . . .
C033 C 0.6664(14) 0.2704(10) 0.1525(5) 0.114(8) Uani 1 1 d . . . . .
H033 H 0.6913 0.2394 0.1462 0.136 Uiso 1 1 calc R . . . .
C034 C 0.5294(10) 0.4504(7) 0.1667(4) 0.084(6) Uani 1 1 d . . . . .
H034 H 0.5280 0.4385 0.1462 0.100 Uiso 1 1 calc R . . . .
C035 C 0.3165(11) 0.4743(8) 0.2695(3) 0.089(7) Uani 1 1 d . . . . .
C036 C 0.2638(12) 0.7257(10) 0.2664(5) 0.105(7) Uani 1 1 d . . . . .
H036 H 0.2471 0.7096 0.2842 0.126 Uiso 1 1 calc R . . . .
C037 C 0.3867(17) 0.3661(10) 0.1864(5) 0.137(11) Uani 1 1 d . . . . .
H037 H 0.4175 0.3382 0.1880 0.165 Uiso 1 1 calc R . . . .
C038 C 0.6162(10) 0.4488(8) 0.6034(4) 0.084(6) Uani 1 1 d . . . . .
H038 H 0.6432 0.4690 0.6160 0.101 Uiso 1 1 calc R . . . .
C039 C 0.2670(11) 0.4002(8) 0.2994(4) 0.093(7) Uani 1 1 d . . . . .
H039 H 0.2369 0.3714 0.3006 0.112 Uiso 1 1 calc R . . . .
C03A C 0.1738(11) 0.6356(9) 0.2154(5) 0.098(6) Uani 1 1 d . . . . .
H03D H 0.1424 0.6624 0.2124 0.118 Uiso 1 1 calc R . . . .
C03B C 0.6624(11) 0.4339(11) 0.3867(5) 0.102(7) Uani 1 1 d . . . . .
H03E H 0.6810 0.4179 0.4040 0.123 Uiso 1 1 calc R . . . .
C03C C 0.5127(15) 0.8217(12) 0.2182(5) 0.126(8) Uani 1 1 d . U . . .
H03F H 0.5110 0.8591 0.2276 0.151 Uiso 1 1 calc R . . . .
C03D C 0.5925(10) 0.3108(7) 0.1869(4) 0.097(7) Uani 1 1 d . . . . .
H03G H 0.5655 0.3054 0.2030 0.117 Uiso 1 1 calc R . . . .
C03E C 0.2949(10) 0.4486(7) 0.1821(4) 0.085(6) Uani 1 1 d . . . . .
H03H H 0.2635 0.4759 0.1811 0.103 Uiso 1 1 calc R . . . .
C03F C 0.3187(12) 0.6986(8) 0.2545(4) 0.102(8) Uani 1 1 d . . . . .
H03I H 0.3380 0.6686 0.2655 0.122 Uiso 1 1 calc R . . . .
C03G C 0.3570(12) 0.4876(10) 0.2950(4) 0.114(9) Uani 1 1 d . . . . .
H03J H 0.3873 0.5160 0.2933 0.136 Uiso 1 1 calc R . . . .
C03H C 0.2633(12) 0.7955(8) 0.2255(7) 0.116(9) Uani 1 1 d . . . . .
H03K H 0.2487 0.8307 0.2168 0.140 Uiso 1 1 calc R . . . .
C03I C 0.2773(10) 0.4285(7) 0.2716(4) 0.080(6) Uani 1 1 d . . . . .
H03L H 0.2569 0.4158 0.2541 0.096 Uiso 1 1 calc R . . . .
C03J C 0.2356(14) 0.7726(12) 0.2530(6) 0.132(10) Uani 1 1 d . . . . .
H03M H 0.2006 0.7890 0.2611 0.158 Uiso 1 1 calc R . . . .
C03K C 0.4634(11) 0.6331(9) 0.3006(4) 0.109(7) Uani 1 1 d . U . . .
H03N H 0.4225 0.6219 0.3045 0.164 Uiso 1 1 calc GR . . . .
H03O H 0.4649 0.6593 0.2830 0.164 Uiso 1 1 calc GR . . . .
H03P H 0.4794 0.6533 0.3183 0.164 Uiso 1 1 calc GR . . . .
C03L C 0.3476(18) 0.4547(14) 0.3223(5) 0.156(14) Uani 1 1 d . . . . .
H03Q H 0.3729 0.4600 0.3392 0.187 Uiso 1 1 calc R . . . .
C03M C 0.5642(14) 0.8076(12) 0.2049(5) 0.130(8) Uani 1 1 d . U . . .
H03R H 0.5946 0.8358 0.2035 0.156 Uiso 1 1 calc R . . . .
C03N C 0.6796(11) 0.4907(8) 0.5145(5) 0.108(7) Uani 1 1 d . . . . .
H03X H 0.6906 0.4557 0.5030 0.161 Uiso 1 1 calc GR . . . .
H03Y H 0.6685 0.4795 0.5351 0.161 Uiso 1 1 calc GR . . . .
H H 0.7130 0.5177 0.5152 0.161 Uiso 1 1 calc GR . . . .
C03O C 0.2985(16) 0.4054(12) 0.1596(5) 0.132(10) Uani 1 1 d . . . . .
H03S H 0.2715 0.4046 0.1432 0.158 Uiso 1 1 calc R . . . .
C03P C 0.3424(16) 0.3643(13) 0.1621(7) 0.132(9) Uani 1 1 d . . . . .
H03T H 0.3443 0.3337 0.1476 0.158 Uiso 1 1 calc R . . . .
C03Q C 0.5147(15) 0.7116(9) 0.1950(6) 0.135(10) Uani 1 1 d . . . . .
H03U H 0.5145 0.6731 0.1870 0.162 Uiso 1 1 calc R . . . .
C03R C 0.5837(13) 0.5387(11) 0.5215(5) 0.142(11) Uani 1 1 d . . . . .
H03Z H 0.5467 0.5475 0.5111 0.213 Uiso 1 1 calc GR . . . .
HA H 0.5975 0.5738 0.5321 0.213 Uiso 1 1 calc GR . . . .
HB H 0.5772 0.5071 0.5362 0.213 Uiso 1 1 calc GR . . . .
C03S C 0.2983(17) 0.4126(11) 0.3240(5) 0.135(12) Uani 1 1 d . . . . .
H03V H 0.2890 0.3944 0.3427 0.162 Uiso 1 1 calc R . . . .
C03T C 0.8735(16) 0.2274(15) 0.5239(6) 0.23(2) Uani 1 1 d . . . . .
H03 H 0.8714 0.2700 0.5262 0.346 Uiso 1 1 d R . . . .
HC H 0.9073 0.2123 0.5352 0.346 Uiso 1 1 d R . . . .
HD H 0.8374 0.2096 0.5317 0.346 Uiso 1 1 d R . . . .
C03W C 0.5733(18) 0.7468(16) 0.1924(7) 0.179(13) Uani 1 1 d . . . . .
H03W H 0.6090 0.7323 0.1841 0.215 Uiso 1 1 calc R . . . .
C03X C 0.8591(15) 0.2520(13) 0.4715(8) 0.211(18) Uani 1 1 d . . . . .
H0AA H 0.8810 0.2482 0.4525 0.316 Uiso 1 1 calc GR . . . .
HE H 0.8632 0.2921 0.4791 0.316 Uiso 1 1 calc GR . . . .
HF H 0.8175 0.2435 0.4679 0.316 Uiso 1 1 calc GR . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag01 P006 2.443(4) . ?
Ag01 P007 2.498(5) . ?
Ag01 N00U 2.352(14) . ?
Ag01 N01T 2.344(12) . ?
Al02 Al04 2.930(5) . ?
Al02 O008 1.930(8) . ?
Al02 O009 1.873(10) . ?
Al02 O00A 1.865(8) . ?
Al02 O00E 1.855(10) . ?
Al02 O00H 1.836(8) . ?
Al02 O00J 1.940(8) . ?
Al03 O00C 1.930(11) . ?
Al03 O00F 1.799(10) . ?
Al03 O00J 1.902(8) . ?
Al03 O00N 1.841(10) . ?
Al03 O00Q 1.805(9) . ?
Al04 O009 1.909(8) . ?
Al04 O00A 1.877(10) . ?
Al04 O00B 1.828(9) . ?
Al04 O00C 1.913(9) . ?
Al04 O00D 1.902(8) . ?
Al04 O00L 1.839(10) . ?
Al05 O008 1.908(10) . ?
Al05 O00D 1.972(8) . ?
Al05 O00I 1.742(11) . ?
Al05 O00K 1.808(10) . ?
Al05 O00M 1.832(9) . ?
P006 C01F 1.779(15) . ?
P006 C02A 1.775(19) . ?
P006 C02G 1.79(2) . ?
P007 C016 1.832(15) . ?
P007 C01I 1.820(13) . ?
P007 C035 1.836(16) . ?
O008 C01C 1.376(14) . ?
O009 C00Y 1.330(16) . ?
O00A C00W 1.399(16) . ?
O00B C01V 1.300(16) . ?
O00C C01W 1.392(16) . ?
O00D C00X 1.375(14) . ?
O00E C01A 1.279(15) . ?
O00F C00R 1.317(13) . ?
O00G C01A 1.258(18) . ?
O00H C018 1.285(16) . ?
O00I C011 1.350(14) . ?
O00J C013 1.375(16) . ?
O00K C015 1.334(15) . ?
O00L C01B 1.306(17) . ?
O00M C00Z 1.310(18) . ?
O00N C01E 1.327(16) . ?
O00O C01G 1.40(2) . ?
O00O C026 1.401(17) . ?
O00P C01V 1.255(18) . ?
O00Q C01Y 1.29(2) . ?
C00R C00W 1.402(18) . ?
C00R C017 1.355(19) . ?
O00S H00S 0.8200 . ?
O00S C018 1.253(15) . ?
O00T C01B 1.22(2) . ?
N00U C025 1.314(17) . ?
N00U C027 1.37(2) . ?
C00V C013 1.396(18) . ?
C00V C018 1.44(2) . ?
C00V C01R 1.45(2) . ?
C00W C014 1.371(17) . ?
C00X C015 1.361(18) . ?
C00X C019 1.413(18) . ?
C00Y C011 1.43(2) . ?
C00Y C01P 1.386(16) . ?
C00Z C01C 1.40(2) . ?
C00Z C01S 1.418(18) . ?
N010 H01A 0.8900 . ?
N010 H01B 0.8900 . ?
N010 C03N 1.48(3) . ?
N010 C03R 1.44(3) . ?
C011 C01N 1.38(2) . ?
C012 H012 0.9300 . ?
C012 C015 1.370(17) . ?
C012 C02L 1.341(19) . ?
C013 C01E 1.43(2) . ?
C014 H014 0.9300 . ?
C014 C022 1.42(2) . ?
C016 C01G 1.385(19) . ?
C016 C02N 1.47(3) . ?
C017 H017 0.9300 . ?
C017 C01K 1.372(17) . ?
C019 C01V 1.44(2) . ?
C019 C024 1.384(18) . ?
C01A C01Q 1.49(2) . ?
C01B C01O 1.46(2) . ?
C01C C01Q 1.36(2) . ?
N01D H01C 0.8900 . ?
N01D H01D 0.8900 . ?
N01D C03T 1.39(2) . ?
N01D C03X 1.41(2) . ?
C01E C02W 1.33(2) . ?
C01F C020 1.38(2) . ?
C01F C026 1.42(2) . ?
C01G C02O 1.40(3) . ?
C01H C023 1.448(19) . ?
C01H C02Q 1.35(2) . ?
C01H C02S 1.46(2) . ?
C01I C02D 1.34(2) . ?
C01I C03E 1.38(2) . ?
C01J H01J 0.9300 . ?
C01J C01L 1.363(18) . ?
C01J C023 1.44(2) . ?
C01K H01K 0.9300 . ?
C01K C022 1.31(2) . ?
C01L H01L 0.9300 . ?
C01L C01M 1.49(2) . ?
C01M C027 1.36(2) . ?
C01M C02I 1.383(19) . ?
C01N H01N 0.9300 . ?
C01N C021 1.39(2) . ?
C01O C01W 1.36(2) . ?
C01O C029 1.409(19) . ?
C01P H01P 0.9300 . ?
C01P C02B 1.43(2) . ?
C01Q C028 1.392(18) . ?
C01R H01R 0.9300 . ?
C01R C02C 1.33(2) . ?
C01S H01S 0.9300 . ?
C01S C02K 1.33(2) . ?
N01T C01X 1.42(2) . ?
N01T C031 1.323(17) . ?
C01W C01Y 1.44(2) . ?
C01X C023 1.37(2) . ?
C01X C027 1.421(18) . ?
C01Y C038 1.41(2) . ?
C01Z H01Z 0.9300 . ?
C01Z C02S 1.42(2) . ?
C01Z C02Y 1.34(2) . ?
C020 H020 0.9300 . ?
C020 C02T 1.37(2) . ?
C021 H021 0.9300 . ?
C021 C02B 1.35(3) . ?
C022 H022 0.9300 . ?
C024 H024 0.9300 . ?
C024 C02L 1.48(2) . ?
C025 C030 1.48(2) . ?
C025 C034 1.42(2) . ?
C026 C02M 1.41(2) . ?
C028 H028 0.9300 . ?
C028 C02K 1.38(2) . ?
C029 H029 0.9300 . ?
C029 C02F 1.35(3) . ?
C02A C02Z 1.45(2) . ?
C02A C03F 1.39(2) . ?
C02B H02B 0.9300 . ?
C02C H02C 0.9300 . ?
C02C C02W 1.42(2) . ?
C02D H02D 0.9300 . ?
C02D C037 1.41(3) . ?
C02E H02E 0.9300 . ?
C02E C02M 1.37(2) . ?
C02E C02T 1.35(3) . ?
C02F H02F 0.9300 . ?
C02F C038 1.33(3) . ?
C02G C02X 1.38(3) . ?
C02G C03Q 1.34(3) . ?
C02H H02H 0.9300 . ?
C02H C033 1.37(3) . ?
C02H C03D 1.38(3) . ?
C02I C02R 1.57(2) . ?
C02I C034 1.36(2) . ?
C02J H02J 0.9300 . ?
C02J C02N 1.27(3) . ?
C02J C03A 1.34(2) . ?
C02K H02K 0.9300 . ?
C02L H02L 0.9300 . ?
C02M H02M 0.9300 . ?
C02N H02N 0.9300 . ?
C02O H02O 0.9300 . ?
C02O C03A 1.30(3) . ?
C02P H02P 0.9300 . ?
C02P C02S 1.37(2) . ?
C02P C02U 1.36(2) . ?
C02Q H02Q 0.9300 . ?
C02Q C031 1.36(2) . ?
C02R C02V 1.36(2) . ?
C02R C03D 1.38(2) . ?
C02T H02T 0.9300 . ?
C02U H02U 0.9300 . ?
C02U C03B 1.46(3) . ?
C02V H02V 0.9300 . ?
C02V C032 1.34(3) . ?
C02W H02W 0.9300 . ?
C02X H02X 0.9300 . ?
C02X C03C 1.37(4) . ?
C02Y H02Y 0.9300 . ?
C02Y C03B 1.29(3) . ?
C02Z H02Z 0.9300 . ?
C02Z C03H 1.35(3) . ?
C030 H03A 0.9600 . ?
C030 H03B 0.9600 . ?
C030 H03C 0.9600 . ?
C031 C03K 1.53(2) . ?
C032 H032 0.9300 . ?
C032 C033 1.34(2) . ?
C033 H033 0.9300 . ?
C034 H034 0.9300 . ?
C035 C03G 1.46(3) . ?
C035 C03I 1.35(3) . ?
C036 H036 0.9300 . ?
C036 C03F 1.46(3) . ?
C036 C03J 1.35(3) . ?
C037 H037 0.9300 . ?
C037 C03P 1.45(4) . ?
C038 H038 0.9300 . ?
C039 H039 0.9300 . ?
C039 C03I 1.38(2) . ?
C039 C03S 1.31(3) . ?
C03A H03D 0.9300 . ?
C03B H03E 0.9300 . ?
C03C H03F 0.9300 . ?
C03C C03M 1.32(4) . ?
C03D H03G 0.9300 . ?
C03E H03H 0.9300 . ?
C03E C03O 1.38(3) . ?
C03F H03I 0.9300 . ?
C03G H03J 0.9300 . ?
C03G C03L 1.41(3) . ?
C03H H03K 0.9300 . ?
C03H C03J 1.44(3) . ?
C03I H03L 0.9300 . ?
C03J H03M 0.9300 . ?
C03K H03N 0.9600 . ?
C03K H03O 0.9600 . ?
C03K H03P 0.9600 . ?
C03L H03Q 0.9300 . ?
C03L C03S 1.45(4) . ?
C03M H03R 0.9300 . ?
C03M C03W 1.48(4) . ?
C03N H03X 0.9600 . ?
C03N H03Y 0.9600 . ?
C03N H 0.9600 . ?
C03O H03S 0.9300 . ?
C03O C03P 1.35(4) . ?
C03P H03T 0.9300 . ?
C03Q H03U 0.9300 . ?
C03Q C03W 1.53(4) . ?
C03R H03Z 0.9600 . ?
C03R HA 0.9600 . ?
C03R HB 0.9600 . ?
C03S H03V 0.9300 . ?
C03T H03 0.9600 . ?
C03T HC 0.9601 . ?
C03T HD 0.9604 . ?
C03W H03W 0.9300 . ?
C03X H0AA 0.9600 . ?
C03X HE 0.9600 . ?
C03X HF 0.9600 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P006 Ag01 P007 113.60(16) . . ?
N00U Ag01 P006 123.5(3) . . ?
N00U Ag01 P007 102.3(4) . . ?
N01T Ag01 P006 124.9(3) . . ?
N01T Ag01 P007 113.3(3) . . ?
N01T Ag01 N00U 70.9(5) . . ?
O008 Al02 Al04 88.5(3) . . ?
O008 Al02 O00J 175.6(4) . . ?
O009 Al02 Al04 39.7(3) . . ?
O009 Al02 O008 84.8(4) . . ?
O009 Al02 O00J 92.3(4) . . ?
O00A Al02 Al04 38.6(3) . . ?
O00A Al02 O008 92.7(3) . . ?
O00A Al02 O009 78.3(4) . . ?
O00A Al02 O00J 83.4(3) . . ?
O00E Al02 Al04 132.7(3) . . ?
O00E Al02 O008 89.8(4) . . ?
O00E Al02 O009 170.6(4) . . ?
O00E Al02 O00A 94.3(4) . . ?
O00E Al02 O00J 92.6(4) . . ?
O00H Al02 Al04 134.4(4) . . ?
O00H Al02 O008 92.2(4) . . ?
O00H Al02 O009 95.0(4) . . ?
O00H Al02 O00A 171.3(4) . . ?
O00H Al02 O00E 92.9(4) . . ?
O00H Al02 O00J 91.4(4) . . ?
O00J Al02 Al04 87.1(3) . . ?
O00F Al03 O00C 103.0(4) . . ?
O00F Al03 O00J 110.4(4) . . ?
O00F Al03 O00N 100.6(5) . . ?
O00F Al03 O00Q 108.6(5) . . ?
O00J Al03 O00C 89.2(4) . . ?
O00N Al03 O00C 156.5(5) . . ?
O00N Al03 O00J 83.1(4) . . ?
O00Q Al03 O00C 82.7(4) . . ?
O00Q Al03 O00J 141.0(5) . . ?
O00Q Al03 O00N 89.4(4) . . ?
O009 Al04 Al02 38.8(3) . . ?
O009 Al04 O00C 88.9(4) . . ?
O00A Al04 Al02 38.3(2) . . ?
O00A Al04 O009 77.1(4) . . ?
O00A Al04 O00C 84.4(4) . . ?
O00A Al04 O00D 89.3(4) . . ?
O00B Al04 Al02 132.6(4) . . ?
O00B Al04 O009 171.2(5) . . ?
O00B Al04 O00A 94.3(4) . . ?
O00B Al04 O00C 92.1(4) . . ?
O00B Al04 O00D 93.4(4) . . ?
O00B Al04 O00L 93.0(4) . . ?
O00C Al04 Al02 85.7(3) . . ?
O00D Al04 Al02 86.2(3) . . ?
O00D Al04 O009 84.7(4) . . ?
O00D Al04 O00C 171.9(4) . . ?
O00L Al04 Al02 134.4(3) . . ?
O00L Al04 O009 95.7(4) . . ?
O00L Al04 O00A 172.4(4) . . ?
O00L Al04 O00C 93.1(4) . . ?
O00L Al04 O00D 92.5(4) . . ?
O008 Al05 O00D 90.5(4) . . ?
O00I Al05 O008 113.6(5) . . ?
O00I Al05 O00D 99.5(4) . . ?
O00I Al05 O00K 113.3(5) . . ?
O00I Al05 O00M 100.4(5) . . ?
O00K Al05 O008 133.1(5) . . ?
O00K Al05 O00D 82.4(4) . . ?
O00K Al05 O00M 88.2(4) . . ?
O00M Al05 O008 83.2(4) . . ?
O00M Al05 O00D 160.0(5) . . ?
C01F P006 Ag01 111.1(4) . . ?
C01F P006 C02G 102.9(8) . . ?
C02A P006 Ag01 116.3(5) . . ?
C02A P006 C01F 103.2(7) . . ?
C02A P006 C02G 105.8(9) . . ?
C02G P006 Ag01 116.0(6) . . ?
C016 P007 Ag01 110.5(5) . . ?
C016 P007 C035 103.4(9) . . ?
C01I P007 Ag01 111.3(6) . . ?
C01I P007 C016 107.6(7) . . ?
C01I P007 C035 101.2(7) . . ?
C035 P007 Ag01 121.8(7) . . ?
Al05 O008 Al02 124.9(4) . . ?
C01C O008 Al02 120.2(8) . . ?
C01C O008 Al05 112.9(8) . . ?
Al02 O009 Al04 101.6(4) . . ?
C00Y O009 Al02 130.6(8) . . ?
C00Y O009 Al04 127.5(8) . . ?
Al02 O00A Al04 103.1(4) . . ?
C00W O00A Al02 128.9(8) . . ?
C00W O00A Al04 127.6(8) . . ?
C01V O00B Al04 132.9(9) . . ?
Al04 O00C Al03 125.5(5) . . ?
C01W O00C Al03 113.9(8) . . ?
C01W O00C Al04 118.1(8) . . ?
Al04 O00D Al05 125.1(4) . . ?
C00X O00D Al04 124.4(7) . . ?
C00X O00D Al05 110.4(6) . . ?
C01A O00E Al02 131.3(9) . . ?
C00R O00F Al03 135.4(8) . . ?
C018 O00H Al02 127.3(9) . . ?
C011 O00I Al05 133.9(9) . . ?
Al03 O00J Al02 125.9(4) . . ?
C013 O00J Al02 117.3(7) . . ?
C013 O00J Al03 112.9(8) . . ?
C015 O00K Al05 116.5(7) . . ?
C01B O00L Al04 127.6(10) . . ?
C00Z O00M Al05 113.8(9) . . ?
C01E O00N Al03 117.8(8) . . ?
C01G O00O C026 125.4(12) . . ?
C01Y O00Q Al03 118.1(9) . . ?
O00F C00R C00W 120.6(11) . . ?
O00F C00R C017 122.6(13) . . ?
C017 C00R C00W 116.8(12) . . ?
C018 O00S H00S 109.5 . . ?
C025 N00U Ag01 123.5(11) . . ?
C025 N00U C027 120.0(14) . . ?
C027 N00U Ag01 115.9(9) . . ?
C013 C00V C018 124.0(14) . . ?
C013 C00V C01R 115.0(14) . . ?
C018 C00V C01R 120.9(13) . . ?
O00A C00W C00R 119.3(11) . . ?
C014 C00W O00A 120.8(10) . . ?
C014 C00W C00R 119.8(12) . . ?
O00D C00X C019 124.9(11) . . ?
C015 C00X O00D 113.5(10) . . ?
C015 C00X C019 121.6(12) . . ?
O009 C00Y C011 119.9(12) . . ?
O009 C00Y C01P 120.8(12) . . ?
C01P C00Y C011 119.3(12) . . ?
O00M C00Z C01C 117.6(11) . . ?
O00M C00Z C01S 126.8(14) . . ?
C01C C00Z C01S 115.6(15) . . ?
H01A N010 H01B 108.0 . . ?
C03N N010 H01A 109.4 . . ?
C03N N010 H01B 109.4 . . ?
C03R N010 H01A 109.4 . . ?
C03R N010 H01B 109.4 . . ?
C03R N010 C03N 111.3(17) . . ?
O00I C011 C00Y 119.8(12) . . ?
O00I C011 C01N 120.8(14) . . ?
C01N C011 C00Y 119.4(13) . . ?
C015 C012 H012 119.7 . . ?
C02L C012 H012 119.7 . . ?
C02L C012 C015 120.6(13) . . ?
O00J C013 C00V 124.2(13) . . ?
O00J C013 C01E 113.6(11) . . ?
C00V C013 C01E 122.1(13) . . ?
C00W C014 H014 120.1 . . ?
C00W C014 C022 119.8(13) . . ?
C022 C014 H014 120.1 . . ?
O00K C015 C00X 115.8(11) . . ?
O00K C015 C012 123.5(11) . . ?
C00X C015 C012 120.5(13) . . ?
C01G C016 P007 117.6(12) . . ?
C01G C016 C02N 115.0(15) . . ?
C02N C016 P007 127.1(13) . . ?
C00R C017 H017 118.4 . . ?
C00R C017 C01K 123.3(14) . . ?
C01K C017 H017 118.4 . . ?
O00H C018 C00V 119.8(12) . . ?
O00S C018 O00H 118.6(12) . . ?
O00S C018 C00V 121.6(13) . . ?
C00X C019 C01V 123.0(12) . . ?
C024 C019 C00X 119.1(12) . . ?
C024 C019 C01V 117.9(13) . . ?
O00E C01A C01Q 118.6(15) . . ?
O00G C01A O00E 121.8(13) . . ?
O00G C01A C01Q 119.6(13) . . ?
O00L C01B C01O 119.5(16) . . ?
O00T C01B O00L 120.3(15) . . ?
O00T C01B C01O 119.7(15) . . ?
O008 C01C C00Z 110.0(13) . . ?
C01Q C01C O008 126.0(11) . . ?
C01Q C01C C00Z 124.0(12) . . ?
H01C N01D H01D 107.5 . . ?
C03T N01D H01C 108.4 . . ?
C03T N01D H01D 108.4 . . ?
C03T N01D C03X 115(2) . . ?
C03X N01D H01C 108.4 . . ?
C03X N01D H01D 108.4 . . ?
O00N C01E C013 112.4(12) . . ?
O00N C01E C02W 128.4(13) . . ?
C02W C01E C013 119.2(14) . . ?
C020 C01F P006 127.6(13) . . ?
C020 C01F C026 114.2(14) . . ?
C026 C01F P006 117.8(10) . . ?
O00O C01G C02O 123.7(15) . . ?
C016 C01G O00O 113.7(14) . . ?
C016 C01G C02O 122.6(16) . . ?
C023 C01H C02S 125.6(15) . . ?
C02Q C01H C023 113.3(13) . . ?
C02Q C01H C02S 120.9(14) . . ?
C02D C01I P007 119.4(15) . . ?
C02D C01I C03E 117.7(14) . . ?
C03E C01I P007 122.8(13) . . ?
C01L C01J H01J 118.0 . . ?
C01L C01J C023 124.1(15) . . ?
C023 C01J H01J 118.0 . . ?
C017 C01K H01K 119.9 . . ?
C022 C01K C017 120.3(14) . . ?
C022 C01K H01K 119.9 . . ?
C01J C01L H01L 121.6 . . ?
C01J C01L C01M 116.8(15) . . ?
C01M C01L H01L 121.6 . . ?
C027 C01M C01L 119.5(13) . . ?
C027 C01M C02I 119.1(13) . . ?
C02I C01M C01L 121.2(13) . . ?
C011 C01N H01N 119.4 . . ?
C011 C01N C021 121.2(15) . . ?
C021 C01N H01N 119.4 . . ?
C01W C01O C01B 122.1(13) . . ?
C01W C01O C029 117.4(15) . . ?
C029 C01O C01B 120.5(17) . . ?
C00Y C01P H01P 120.6 . . ?
C00Y C01P C02B 118.7(13) . . ?
C02B C01P H01P 120.6 . . ?
C01C C01Q C01A 122.5(12) . . ?
C01C C01Q C028 118.5(13) . . ?
C028 C01Q C01A 118.9(16) . . ?
C00V C01R H01R 118.6 . . ?
C02C C01R C00V 122.9(14) . . ?
C02C C01R H01R 118.6 . . ?
C00Z C01S H01S 120.0 . . ?
C02K C01S C00Z 120.1(15) . . ?
C02K C01S H01S 120.0 . . ?
C01X N01T Ag01 113.9(9) . . ?
C031 N01T Ag01 126.4(11) . . ?
C031 N01T C01X 117.2(12) . . ?
O00B C01V C019 120.8(14) . . ?
O00P C01V O00B 119.4(14) . . ?
O00P C01V C019 119.8(14) . . ?
O00C C01W C01Y 108.7(14) . . ?
C01O C01W O00C 129.1(11) . . ?
C01O C01W C01Y 122.1(13) . . ?
N01T C01X C027 117.7(13) . . ?
C023 C01X N01T 119.4(13) . . ?
C023 C01X C027 122.6(16) . . ?
O00Q C01Y C01W 116.6(13) . . ?
O00Q C01Y C038 126.9(15) . . ?
C038 C01Y C01W 116.6(18) . . ?
C02S C01Z H01Z 119.9 . . ?
C02Y C01Z H01Z 119.9 . . ?
C02Y C01Z C02S 120.1(16) . . ?
C01F C020 H020 117.5 . . ?
C02T C020 C01F 124.9(17) . . ?
C02T C020 H020 117.5 . . ?
C01N C021 H021 120.2 . . ?
C02B C021 C01N 119.6(15) . . ?
C02B C021 H021 120.2 . . ?
C014 C022 H022 120.2 . . ?
C01K C022 C014 119.5(14) . . ?
C01K C022 H022 120.2 . . ?
C01J C023 C01H 121.2(13) . . ?
C01X C023 C01H 122.4(15) . . ?
C01X C023 C01J 116.4(13) . . ?
C019 C024 H024 121.5 . . ?
C019 C024 C02L 117.0(12) . . ?
C02L C024 H024 121.5 . . ?
N00U C025 C030 119.8(16) . . ?
N00U C025 C034 120.3(14) . . ?
C034 C025 C030 119.9(14) . . ?
O00O C026 C01F 120.3(13) . . ?
O00O C026 C02M 117.6(15) . . ?
C02M C026 C01F 122.1(14) . . ?
N00U C027 C01X 118.0(14) . . ?
C01M C027 N00U 121.5(13) . . ?
C01M C027 C01X 120.4(14) . . ?
C01Q C028 H028 120.9 . . ?
C02K C028 C01Q 118.1(15) . . ?
C02K C028 H028 120.9 . . ?
C01O C029 H029 119.6 . . ?
C02F C029 C01O 120.8(19) . . ?
C02F C029 H029 119.6 . . ?
C02Z C02A P006 123.0(14) . . ?
C03F C02A P006 120.3(13) . . ?
C03F C02A C02Z 116.3(19) . . ?
C01P C02B H02B 119.2 . . ?
C021 C02B C01P 121.7(15) . . ?
C021 C02B H02B 119.2 . . ?
C01R C02C H02C 120.3 . . ?
C01R C02C C02W 119.3(15) . . ?
C02W C02C H02C 120.3 . . ?
C01I C02D H02D 118.2 . . ?
C01I C02D C037 124(2) . . ?
C037 C02D H02D 118.2 . . ?
C02M C02E H02E 118.9 . . ?
C02T C02E H02E 118.9 . . ?
C02T C02E C02M 122.3(16) . . ?
C029 C02F H02F 118.5 . . ?
C038 C02F C029 123.1(15) . . ?
C038 C02F H02F 118.5 . . ?
C02X C02G P006 124.1(19) . . ?
C03Q C02G P006 117.1(15) . . ?
C03Q C02G C02X 119(2) . . ?
C033 C02H H02H 119.5 . . ?
C033 C02H C03D 121.0(17) . . ?
C03D C02H H02H 119.5 . . ?
C01M C02I C02R 122.4(14) . . ?
C034 C02I C01M 119.7(16) . . ?
C034 C02I C02R 117.9(14) . . ?
C02N C02J H02J 118.6 . . ?
C02N C02J C03A 123(2) . . ?
C03A C02J H02J 118.6 . . ?
C01S C02K C028 123.6(14) . . ?
C01S C02K H02K 118.2 . . ?
C028 C02K H02K 118.2 . . ?
C012 C02L C024 120.0(13) . . ?
C012 C02L H02L 120.0 . . ?
C024 C02L H02L 120.0 . . ?
C026 C02M H02M 121.0 . . ?
C02E C02M C026 118.0(17) . . ?
C02E C02M H02M 121.0 . . ?
C016 C02N H02N 120.4 . . ?
C02J C02N C016 119.2(19) . . ?
C02J C02N H02N 120.4 . . ?
C01G C02O H02O 122.0 . . ?
C03A C02O C01G 116.1(18) . . ?
C03A C02O H02O 122.0 . . ?
C02S C02P H02P 118.5 . . ?
C02U C02P H02P 118.5 . . ?
C02U C02P C02S 122.9(16) . . ?
C01H C02Q H02Q 118.0 . . ?
C01H C02Q C031 123.9(15) . . ?
C031 C02Q H02Q 118.0 . . ?
C02V C02R C02I 119.6(15) . . ?
C02V C02R C03D 119.7(17) . . ?
C03D C02R C02I 120.2(16) . . ?
C01Z C02S C01H 119.3(15) . . ?
C02P C02S C01H 121.4(14) . . ?
C02P C02S C01Z 118.1(14) . . ?
C020 C02T H02T 120.8 . . ?
C02E C02T C020 118.4(15) . . ?
C02E C02T H02T 120.8 . . ?
C02P C02U H02U 122.8 . . ?
C02P C02U C03B 114.4(17) . . ?
C03B C02U H02U 122.8 . . ?
C02R C02V H02V 121.1 . . ?
C032 C02V C02R 117.8(17) . . ?
C032 C02V H02V 121.1 . . ?
C01E C02W C02C 121.2(15) . . ?
C01E C02W H02W 119.4 . . ?
C02C C02W H02W 119.4 . . ?
C02G C02X H02X 121.1 . . ?
C03C C02X C02G 118(3) . . ?
C03C C02X H02X 121.1 . . ?
C01Z C02Y H02Y 119.5 . . ?
C03B C02Y C01Z 120.9(19) . . ?
C03B C02Y H02Y 119.5 . . ?
C02A C02Z H02Z 118.9 . . ?
C03H C02Z C02A 122(2) . . ?
C03H C02Z H02Z 118.9 . . ?
C025 C030 H03A 109.5 . . ?
C025 C030 H03B 109.5 . . ?
C025 C030 H03C 109.5 . . ?
H03A C030 H03B 109.5 . . ?
H03A C030 H03C 109.5 . . ?
H03B C030 H03C 109.5 . . ?
N01T C031 C02Q 123.4(17) . . ?
N01T C031 C03K 114.8(14) . . ?
C02Q C031 C03K 121.7(15) . . ?
C02V C032 H032 117.0 . . ?
C033 C032 C02V 125.9(19) . . ?
C033 C032 H032 117.0 . . ?
C02H C033 H033 122.2 . . ?
C032 C033 C02H 115.6(19) . . ?
C032 C033 H033 122.2 . . ?
C025 C034 H034 120.4 . . ?
C02I C034 C025 119.1(15) . . ?
C02I C034 H034 120.4 . . ?
C03G C035 P007 114.3(17) . . ?
C03I C035 P007 124.4(13) . . ?
C03I C035 C03G 120.3(15) . . ?
C03F C036 H036 117.9 . . ?
C03J C036 H036 117.9 . . ?
C03J C036 C03F 124(2) . . ?
C02D C037 H037 122.5 . . ?
C02D C037 C03P 115(3) . . ?
C03P C037 H037 122.5 . . ?
C01Y C038 H038 120.0 . . ?
C02F C038 C01Y 120.1(16) . . ?
C02F C038 H038 120.0 . . ?
C03I C039 H039 119.1 . . ?
C03S C039 H039 119.1 . . ?
C03S C039 C03I 122(2) . . ?
C02J C03A H03D 117.9 . . ?
C02O C03A C02J 124(2) . . ?
C02O C03A H03D 117.9 . . ?
C02U C03B H03E 118.3 . . ?
C02Y C03B C02U 123.5(19) . . ?
C02Y C03B H03E 118.3 . . ?
C02X C03C H03F 116.2 . . ?
C03M C03C C02X 128(3) . . ?
C03M C03C H03F 116.2 . . ?
C02H C03D H03G 120.5 . . ?
C02R C03D C02H 119.1(19) . . ?
C02R C03D H03G 120.5 . . ?
C01I C03E H03H 118.2 . . ?
C03O C03E C01I 124(2) . . ?
C03O C03E H03H 118.2 . . ?
C02A C03F C036 119.1(18) . . ?
C02A C03F H03I 120.4 . . ?
C036 C03F H03I 120.4 . . ?
C035 C03G H03J 122.0 . . ?
C03L C03G C035 116(2) . . ?
C03L C03G H03J 122.0 . . ?
C02Z C03H H03K 119.1 . . ?
C02Z C03H C03J 121.8(19) . . ?
C03J C03H H03K 119.1 . . ?
C035 C03I C039 121.1(18) . . ?
C035 C03I H03L 119.5 . . ?
C039 C03I H03L 119.5 . . ?
C036 C03J C03H 116(2) . . ?
C036 C03J H03M 122.2 . . ?
C03H C03J H03M 122.2 . . ?
C031 C03K H03N 109.5 . . ?
C031 C03K H03O 109.5 . . ?
C031 C03K H03P 109.5 . . ?
H03N C03K H03O 109.5 . . ?
H03N C03K H03P 109.5 . . ?
H03O C03K H03P 109.5 . . ?
C03G C03L H03Q 120.2 . . ?
C03G C03L C03S 120(2) . . ?
C03S C03L H03Q 120.2 . . ?
C03C C03M H03R 120.0 . . ?
C03C C03M C03W 120(3) . . ?
C03W C03M H03R 120.0 . . ?
N010 C03N H03X 109.5 . . ?
N010 C03N H03Y 109.5 . . ?
N010 C03N H 109.5 . . ?
H03X C03N H03Y 109.5 . . ?
H03X C03N H 109.5 . . ?
H03Y C03N H 109.5 . . ?
C03E C03O H03S 121.2 . . ?
C03P C03O C03E 118(3) . . ?
C03P C03O H03S 121.2 . . ?
C037 C03P H03T 118.8 . . ?
C03O C03P C037 122(2) . . ?
C03O C03P H03T 118.8 . . ?
C02G C03Q H03U 116.8 . . ?
C02G C03Q C03W 126(2) . . ?
C03W C03Q H03U 116.8 . . ?
N010 C03R H03Z 109.5 . . ?
N010 C03R HA 109.5 . . ?
N010 C03R HB 109.5 . . ?
H03Z C03R HA 109.5 . . ?
H03Z C03R HB 109.5 . . ?
HA C03R HB 109.5 . . ?
C039 C03S C03L 120(2) . . ?
C039 C03S H03V 119.9 . . ?
C03L C03S H03V 119.9 . . ?
N01D C03T H03 111.2 . . ?
N01D C03T HC 106.8 . . ?
N01D C03T HD 110.4 . . ?
H03 C03T HC 109.5 . . ?
H03 C03T HD 109.4 . . ?
HC C03T HD 109.4 . . ?
C03M C03W C03Q 109(3) . . ?
C03M C03W H03W 125.4 . . ?
C03Q C03W H03W 125.4 . . ?
N01D C03X H0AA 109.5 . . ?
N01D C03X HE 109.5 . . ?
N01D C03X HF 109.5 . . ?
H0AA C03X HE 109.5 . . ?
H0AA C03X HF 109.5 . . ?
HE C03X HF 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Ag01 P006 C01F C020 -138.9(13) . . . . ?
Ag01 P006 C01F C026 48.1(14) . . . . ?
Ag01 P006 C02A C02Z -158.9(12) . . . . ?
Ag01 P006 C02A C03F 13.8(17) . . . . ?
Ag01 P006 C02G C02X -129.0(15) . . . . ?
Ag01 P006 C02G C03Q 49.6(18) . . . . ?
Ag01 P007 C016 C01G 44.9(11) . . . . ?
Ag01 P007 C016 C02N -128.6(13) . . . . ?
Ag01 P007 C01I C02D 62.8(14) . . . . ?
Ag01 P007 C01I C03E -113.7(15) . . . . ?
Ag01 P007 C035 C03G 4.8(19) . . . . ?
Ag01 P007 C035 C03I -164.0(17) . . . . ?
Ag01 N00U C025 C030 12(2) . . . . ?
Ag01 N00U C025 C034 -167.2(15) . . . . ?
Ag01 N00U C027 C01M 167.5(12) . . . . ?
Ag01 N00U C027 C01X -9.2(19) . . . . ?
Ag01 N01T C01X C023 -167.7(13) . . . . ?
Ag01 N01T C01X C027 18.5(18) . . . . ?
Ag01 N01T C031 C02Q 162.8(16) . . . . ?
Ag01 N01T C031 C03K -21(2) . . . . ?
Al02 Al04 O00A C00W 173.0(11) . . . . ?
Al02 Al04 O00B C01V 95.1(14) . . . . ?
Al02 Al04 O00L C01B 124.2(10) . . . . ?
Al02 O008 C01C C00Z 154.4(8) . . . . ?
Al02 O008 C01C C01Q -26.2(15) . . . . ?
Al02 O009 C00Y C011 -99.5(14) . . . . ?
Al02 O009 C00Y C01P 79.2(13) . . . . ?
Al02 O00A C00W C00R -101.1(12) . . . . ?
Al02 O00A C00W C014 77.4(15) . . . . ?
Al02 O00E C01A O00G -158.9(9) . . . . ?
Al02 O00E C01A C01Q 20.9(16) . . . . ?
Al02 O00H C018 O00S -159.3(10) . . . . ?
Al02 O00H C018 C00V 21.4(19) . . . . ?
Al02 O00J C013 C00V -24.3(17) . . . . ?
Al02 O00J C013 C01E 154.2(9) . . . . ?
Al03 O00C C01W C01O 176.8(12) . . . . ?
Al03 O00C C01W C01Y 0.9(13) . . . . ?
Al03 O00F C00R C00W 8.2(18) . . . . ?
Al03 O00F C00R C017 -174.1(11) . . . . ?
Al03 O00J C013 C00V 176.6(10) . . . . ?
Al03 O00J C013 C01E -5.0(14) . . . . ?
Al03 O00N C01E C013 2.5(15) . . . . ?
Al03 O00N C01E C02W -174.3(15) . . . . ?
Al03 O00Q C01Y C01W 4.2(18) . . . . ?
Al03 O00Q C01Y C038 -175.8(14) . . . . ?
Al04 Al02 O009 C00Y -174.1(12) . . . . ?
Al04 Al02 O00A C00W -172.9(11) . . . . ?
Al04 Al02 O00E C01A -122.4(10) . . . . ?
Al04 Al02 O00H C018 -127.3(11) . . . . ?
Al04 O009 C00Y C011 87.8(13) . . . . ?
Al04 O009 C00Y C01P -93.5(13) . . . . ?
Al04 O00A C00W C00R 87.6(14) . . . . ?
Al04 O00A C00W C014 -93.8(13) . . . . ?
Al04 O00B C01V O00P 176.4(11) . . . . ?
Al04 O00B C01V C019 -3(2) . . . . ?
Al04 O00C C01W C01O 13.4(18) . . . . ?
Al04 O00C C01W C01Y -162.4(9) . . . . ?
Al04 O00D C00X C015 -175.1(10) . . . . ?
Al04 O00D C00X C019 5.7(18) . . . . ?
Al04 O00L C01B O00T 158.3(13) . . . . ?
Al04 O00L C01B C01O -30.0(19) . . . . ?
Al05 O008 C01C C00Z -9.9(12) . . . . ?
Al05 O008 C01C C01Q 169.5(10) . . . . ?
Al05 O00D C00X C015 8.4(14) . . . . ?
Al05 O00D C00X C019 -170.7(11) . . . . ?
Al05 O00I C011 C00Y 18.3(17) . . . . ?
Al05 O00I C011 C01N -162.2(11) . . . . ?
Al05 O00K C015 C00X -8.6(16) . . . . ?
Al05 O00K C015 C012 166.7(12) . . . . ?
Al05 O00M C00Z C01C 13.0(15) . . . . ?
Al05 O00M C00Z C01S -165.3(11) . . . . ?
P006 C01F C020 C02T -175.2(14) . . . . ?
P006 C01F C026 O00O -8(2) . . . . ?
P006 C01F C026 C02M 174.4(13) . . . . ?
P006 C02A C02Z C03H 178.1(16) . . . . ?
P006 C02A C03F C036 -170.6(14) . . . . ?
P006 C02G C02X C03C 178.2(16) . . . . ?
P006 C02G C03Q C03W -178(2) . . . . ?
P007 C016 C01G O00O 7.5(16) . . . . ?
P007 C016 C01G C02O -172.8(12) . . . . ?
P007 C016 C02N C02J 171.3(15) . . . . ?
P007 C01I C02D C037 -176.8(17) . . . . ?
P007 C01I C03E C03O 174.8(16) . . . . ?
P007 C035 C03G C03L -176.3(19) . . . . ?
P007 C035 C03I C039 179.8(15) . . . . ?
O008 Al02 O009 Al04 -93.9(4) . . . . ?
O008 Al02 O009 C00Y 92.0(11) . . . . ?
O008 Al02 O00A Al04 84.2(4) . . . . ?
O008 Al02 O00A C00W -88.7(10) . . . . ?
O008 Al02 O00E C01A -34.7(11) . . . . ?
O008 Al02 O00H C018 142.7(11) . . . . ?
O008 Al05 O00I C011 26.3(11) . . . . ?
O008 Al05 O00K C015 -73.1(11) . . . . ?
O008 Al05 O00M C00Z -14.4(9) . . . . ?
O008 C01C C01Q C01A 2.2(19) . . . . ?
O008 C01C C01Q C028 -177.6(10) . . . . ?
O009 Al02 O00A Al04 0.1(4) . . . . ?
O009 Al02 O00A C00W -172.8(10) . . . . ?
O009 Al02 O00H C018 -132.4(11) . . . . ?
O009 Al04 O00A Al02 -0.1(4) . . . . ?
O009 Al04 O00A C00W 172.9(9) . . . . ?
O009 Al04 O00L C01B 126.4(11) . . . . ?
O009 C00Y C011 O00I -2.0(18) . . . . ?
O009 C00Y C011 C01N 178.5(12) . . . . ?
O009 C00Y C01P C02B -178.7(14) . . . . ?
O00A Al02 O009 Al04 -0.1(4) . . . . ?
O00A Al02 O009 C00Y -174.2(11) . . . . ?
O00A Al02 O00E C01A -127.3(10) . . . . ?
O00A Al04 O00B C01V 96.6(14) . . . . ?
O00A C00W C014 C022 178.1(13) . . . . ?
O00B Al04 O00A Al02 -178.2(4) . . . . ?
O00B Al04 O00A C00W -5.2(9) . . . . ?
O00B Al04 O00L C01B -55.1(11) . . . . ?
O00C Al03 O00F C00R -59.0(11) . . . . ?
O00C Al03 O00N C01E 67.5(14) . . . . ?
O00C Al03 O00Q C01Y -2.8(11) . . . . ?
O00C Al04 O00A Al02 90.1(4) . . . . ?
O00C Al04 O00A C00W -96.9(9) . . . . ?
O00C Al04 O00B C01V -178.8(14) . . . . ?
O00C Al04 O00L C01B 37.2(11) . . . . ?
O00C C01W C01Y O00Q -3.2(18) . . . . ?
O00C C01W C01Y C038 176.9(13) . . . . ?
O00D Al04 O00A Al02 -84.8(4) . . . . ?
O00D Al04 O00A C00W 88.2(9) . . . . ?
O00D Al04 O00B C01V 7.1(14) . . . . ?
O00D Al04 O00L C01B -148.7(11) . . . . ?
O00D Al05 O00I C011 -68.4(10) . . . . ?
O00D Al05 O00K C015 10.4(10) . . . . ?
O00D Al05 O00M C00Z 57.8(17) . . . . ?
O00D C00X C015 O00K -0.7(18) . . . . ?
O00D C00X C015 C012 -176.1(13) . . . . ?
O00D C00X C019 C01V 1(2) . . . . ?
O00D C00X C019 C024 177.2(14) . . . . ?
O00E Al02 O00A Al04 174.2(4) . . . . ?
O00E Al02 O00A C00W 1.3(10) . . . . ?
O00E Al02 O00H C018 52.8(11) . . . . ?
O00E C01A C01Q C01C 2.7(18) . . . . ?
O00E C01A C01Q C028 -177.5(10) . . . . ?
O00F Al03 O00N C01E -113.7(9) . . . . ?
O00F Al03 O00Q C01Y 98.5(12) . . . . ?
O00F C00R C00W O00A 2.7(19) . . . . ?
O00F C00R C00W C014 -175.9(11) . . . . ?
O00F C00R C017 C01K 175.0(12) . . . . ?
O00G C01A C01Q C01C -177.6(11) . . . . ?
O00G C01A C01Q C028 2.2(17) . . . . ?
O00H Al02 O009 Al04 174.3(4) . . . . ?
O00H Al02 O009 C00Y 0.2(11) . . . . ?
O00H Al02 O00E C01A 57.5(11) . . . . ?
O00I Al05 O00K C015 107.5(10) . . . . ?
O00I Al05 O00M C00Z -127.3(9) . . . . ?
O00I C011 C01N C021 179.8(12) . . . . ?
O00J Al02 O009 Al04 82.7(4) . . . . ?
O00J Al02 O009 C00Y -91.4(11) . . . . ?
O00J Al02 O00A Al04 -93.6(4) . . . . ?
O00J Al02 O00A C00W 93.5(10) . . . . ?
O00J Al02 O00E C01A 149.1(10) . . . . ?
O00J Al02 O00H C018 -40.0(11) . . . . ?
O00J Al03 O00F C00R 35.0(12) . . . . ?
O00J Al03 O00N C01E -4.2(9) . . . . ?
O00J Al03 O00Q C01Y -82.4(13) . . . . ?
O00J C013 C01E O00N 1.8(17) . . . . ?
O00J C013 C01E C02W 178.9(14) . . . . ?
O00K Al05 O00I C011 -154.1(9) . . . . ?
O00K Al05 O00M C00Z 119.4(9) . . . . ?
O00L Al04 O00B C01V -85.6(14) . . . . ?
O00L C01B C01O C01W 4(2) . . . . ?
O00L C01B C01O C029 -177.2(14) . . . . ?
O00M Al05 O00I C011 113.4(10) . . . . ?
O00M Al05 O00K C015 -152.0(10) . . . . ?
O00M C00Z C01C O008 -1.7(16) . . . . ?
O00M C00Z C01C C01Q 178.9(11) . . . . ?
O00M C00Z C01S C02K -179.6(13) . . . . ?
O00N Al03 O00F C00R 121.5(11) . . . . ?
O00N Al03 O00Q C01Y -160.6(12) . . . . ?
O00N C01E C02W C02C -177.4(14) . . . . ?
O00O C01G C02O C03A -179.9(17) . . . . ?
O00O C026 C02M C02E -176.3(17) . . . . ?
O00Q Al03 O00F C00R -145.6(11) . . . . ?
O00Q Al03 O00N C01E 137.5(10) . . . . ?
O00Q C01Y C038 C02F -178.7(17) . . . . ?
C00R C00W C014 C022 -3(2) . . . . ?
C00R C017 C01K C022 5(2) . . . . ?
O00T C01B C01O C01W 176.0(16) . . . . ?
O00T C01B C01O C029 -5(2) . . . . ?
N00U C025 C034 C02I -1(3) . . . . ?
C00V C013 C01E O00N -179.7(12) . . . . ?
C00V C013 C01E C02W -3(2) . . . . ?
C00V C01R C02C C02W 0(3) . . . . ?
C00W C00R C017 C01K -7(2) . . . . ?
C00W C014 C022 C01K 1(2) . . . . ?
C00X C019 C01V O00B -2(3) . . . . ?
C00X C019 C01V O00P 178.2(14) . . . . ?
C00X C019 C024 C02L 6(2) . . . . ?
C00Y C011 C01N C021 -1(2) . . . . ?
C00Y C01P C02B C021 1(3) . . . . ?
C00Z C01C C01Q C01A -178.5(12) . . . . ?
C00Z C01C C01Q C028 1.8(18) . . . . ?
C00Z C01S C02K C028 -1(2) . . . . ?
C011 C00Y C01P C02B 0.0(19) . . . . ?
C011 C01N C021 C02B 2(2) . . . . ?
C013 C00V C018 O00H 9(2) . . . . ?
C013 C00V C018 O00S -170.0(14) . . . . ?
C013 C00V C01R C02C 3(2) . . . . ?
C013 C01E C02W C02C 6(3) . . . . ?
C015 C00X C019 C01V -178.4(15) . . . . ?
C015 C00X C019 C024 -2(2) . . . . ?
C015 C012 C02L C024 13(3) . . . . ?
C016 P007 C01I C02D -176.0(14) . . . . ?
C016 P007 C01I C03E 7.5(16) . . . . ?
C016 P007 C035 C03G -120.0(17) . . . . ?
C016 P007 C035 C03I 71(2) . . . . ?
C016 C01G C02O C03A 0(3) . . . . ?
C017 C00R C00W O00A -175.0(12) . . . . ?
C017 C00R C00W C014 6.4(19) . . . . ?
C017 C01K C022 C014 -2(2) . . . . ?
C018 C00V C013 O00J -5(2) . . . . ?
C018 C00V C013 C01E 176.2(13) . . . . ?
C018 C00V C01R C02C -174.9(15) . . . . ?
C019 C00X C015 O00K 178.6(12) . . . . ?
C019 C00X C015 C012 3(2) . . . . ?
C019 C024 C02L C012 -12(3) . . . . ?
C01A C01Q C028 C02K 179.9(12) . . . . ?
C01B C01O C01W O00C 3(2) . . . . ?
C01B C01O C01W C01Y 178.0(14) . . . . ?
C01B C01O C029 C02F 179.9(17) . . . . ?
C01C C00Z C01S C02K 2.0(19) . . . . ?
C01C C01Q C028 C02K -0.3(18) . . . . ?
C01F P006 C02A C02Z -37.1(16) . . . . ?
C01F P006 C02A C03F 135.7(15) . . . . ?
C01F P006 C02G C02X 109.5(16) . . . . ?
C01F P006 C02G C03Q -71.9(18) . . . . ?
C01F C020 C02T C02E 1(3) . . . . ?
C01F C026 C02M C02E 2(3) . . . . ?
C01G O00O C026 C01F 95(2) . . . . ?
C01G O00O C026 C02M -86.5(19) . . . . ?
C01G C016 C02N C02J -2(2) . . . . ?
C01G C02O C03A C02J -2(3) . . . . ?
C01H C02Q C031 N01T -2(3) . . . . ?
C01H C02Q C031 C03K -177(2) . . . . ?
C01I P007 C016 C01G -76.8(12) . . . . ?
C01I P007 C016 C02N 109.7(14) . . . . ?
C01I P007 C035 C03G 128.7(16) . . . . ?
C01I P007 C035 C03I -40(2) . . . . ?
C01I C02D C037 C03P 0(4) . . . . ?
C01I C03E C03O C03P 3(4) . . . . ?
C01J C01L C01M C027 5(2) . . . . ?
C01J C01L C01M C02I -179.7(14) . . . . ?
C01L C01J C023 C01H 178.2(14) . . . . ?
C01L C01J C023 C01X -2(2) . . . . ?
C01L C01M C027 N00U 177.4(15) . . . . ?
C01L C01M C027 C01X -6(2) . . . . ?
C01L C01M C02I C02R 7(2) . . . . ?
C01L C01M C02I C034 -174.3(17) . . . . ?
C01M C02I C02R C02V -123.8(18) . . . . ?
C01M C02I C02R C03D 63(2) . . . . ?
C01M C02I C034 C025 -2(3) . . . . ?
C01N C021 C02B C01P -2(3) . . . . ?
C01O C01W C01Y O00Q -179.4(13) . . . . ?
C01O C01W C01Y C038 1(2) . . . . ?
C01O C029 C02F C038 4(3) . . . . ?
C01P C00Y C011 O00I 179.3(11) . . . . ?
C01P C00Y C011 C01N -0.1(19) . . . . ?
C01Q C028 C02K C01S 0(2) . . . . ?
C01R C00V C013 O00J 176.5(12) . . . . ?
C01R C00V C013 C01E -1.8(19) . . . . ?
C01R C00V C018 O00H -172.8(12) . . . . ?
C01R C00V C018 O00S 8(2) . . . . ?
C01R C02C C02W C01E -5(3) . . . . ?
C01S C00Z C01C O008 176.8(10) . . . . ?
C01S C00Z C01C C01Q -2.6(19) . . . . ?
N01T C01X C023 C01H 7(3) . . . . ?
N01T C01X C023 C01J -172.6(15) . . . . ?
N01T C01X C027 N00U -6(2) . . . . ?
N01T C01X C027 C01M 176.9(16) . . . . ?
C01V C019 C024 C02L -177.5(16) . . . . ?
C01W C01O C029 C02F -2(3) . . . . ?
C01W C01Y C038 C02F 1(3) . . . . ?
C01X N01T C031 C02Q 2(3) . . . . ?
C01X N01T C031 C03K 178.0(18) . . . . ?
C01Z C02Y C03B C02U 2(4) . . . . ?
C020 C01F C026 O00O 178.4(14) . . . . ?
C020 C01F C026 C02M 0(2) . . . . ?
C023 C01H C02Q C031 3(3) . . . . ?
C023 C01H C02S C01Z -59(3) . . . . ?
C023 C01H C02S C02P 134(2) . . . . ?
C023 C01J C01L C01M 0(2) . . . . ?
C023 C01X C027 N00U -180.0(17) . . . . ?
C023 C01X C027 C01M 3(2) . . . . ?
C024 C019 C01V O00B -179.0(15) . . . . ?
C024 C019 C01V O00P 2(2) . . . . ?
C025 N00U C027 C01M -4(2) . . . . ?
C025 N00U C027 C01X 178.9(14) . . . . ?
C026 O00O C01G C016 -162.1(13) . . . . ?
C026 O00O C01G C02O 18(2) . . . . ?
C026 C01F C020 C02T -2(2) . . . . ?
C027 N00U C025 C030 -176.8(18) . . . . ?
C027 N00U C025 C034 4(3) . . . . ?
C027 C01M C02I C02R -177.6(16) . . . . ?
C027 C01M C02I C034 2(2) . . . . ?
C027 C01X C023 C01H -179.7(14) . . . . ?
C027 C01X C023 C01J 1(2) . . . . ?
C029 C01O C01W O00C -175.9(13) . . . . ?
C029 C01O C01W C01Y -1(2) . . . . ?
C029 C02F C038 C01Y -3(3) . . . . ?
C02A P006 C01F C020 95.8(15) . . . . ?
C02A P006 C01F C026 -77.3(13) . . . . ?
C02A P006 C02G C02X 1.6(18) . . . . ?
C02A P006 C02G C03Q -179.8(17) . . . . ?
C02A C02Z C03H C03J -11(3) . . . . ?
C02D C01I C03E C03O -2(3) . . . . ?
C02D C037 C03P C03O 1(4) . . . . ?
C02G P006 C01F C020 -14.1(16) . . . . ?
C02G P006 C01F C026 172.8(13) . . . . ?
C02G P006 C02A C02Z 70.6(16) . . . . ?
C02G P006 C02A C03F -116.6(16) . . . . ?
C02G C02X C03C C03M 4(4) . . . . ?
C02G C03Q C03W C03M -3(4) . . . . ?
C02I C01M C027 N00U 2(2) . . . . ?
C02I C01M C027 C01X 178.2(14) . . . . ?
C02I C02R C02V C032 -179.2(17) . . . . ?
C02I C02R C03D C02H 175.2(18) . . . . ?
C02L C012 C015 O00K 175.9(15) . . . . ?
C02L C012 C015 C00X -9(2) . . . . ?
C02M C02E C02T C020 1(3) . . . . ?
C02N C016 C01G O00O -178.3(13) . . . . ?
C02N C016 C01G C02O 1(2) . . . . ?
C02N C02J C03A C02O 1(4) . . . . ?
C02P C02U C03B C02Y -2(4) . . . . ?
C02Q C01H C023 C01J 173.4(18) . . . . ?
C02Q C01H C023 C01X -6(3) . . . . ?
C02Q C01H C02S C01Z 128.1(19) . . . . ?
C02Q C01H C02S C02P -39(3) . . . . ?
C02R C02I C034 C025 177.3(17) . . . . ?
C02R C02V C032 C033 2(3) . . . . ?
C02S C01H C023 C01J 0(3) . . . . ?
C02S C01H C023 C01X -179.8(18) . . . . ?
C02S C01H C02Q C031 177.5(19) . . . . ?
C02S C01Z C02Y C03B -1(3) . . . . ?
C02S C02P C02U C03B 1(3) . . . . ?
C02T C02E C02M C026 -3(3) . . . . ?
C02U C02P C02S C01H 168(2) . . . . ?
C02U C02P C02S C01Z 0(3) . . . . ?
C02V C02R C03D C02H 2(3) . . . . ?
C02V C032 C033 C02H 6(4) . . . . ?
C02X C02G C03Q C03W 0(4) . . . . ?
C02X C03C C03M C03W -7(5) . . . . ?
C02Y C01Z C02S C01H -168(2) . . . . ?
C02Y C01Z C02S C02P 0(3) . . . . ?
C02Z C02A C03F C036 3(3) . . . . ?
C02Z C03H C03J C036 8(4) . . . . ?
C030 C025 C034 C02I 179.9(19) . . . . ?
C031 N01T C01X C023 -5(2) . . . . ?
C031 N01T C01X C027 -178.5(14) . . . . ?
C033 C02H C03D C02R 6(3) . . . . ?
C034 C02I C02R C02V 57(3) . . . . ?
C034 C02I C02R C03D -116(2) . . . . ?
C035 P007 C016 C01G 176.7(11) . . . . ?
C035 P007 C016 C02N 3.2(16) . . . . ?
C035 P007 C01I C02D -67.9(17) . . . . ?
C035 P007 C01I C03E 115.6(16) . . . . ?
C035 C03G C03L C03S -2(4) . . . . ?
C03A C02J C02N C016 1(3) . . . . ?
C03C C03M C03W C03Q 5(4) . . . . ?
C03D C02H C033 C032 -10(4) . . . . ?
C03D C02R C02V C032 -6(3) . . . . ?
C03E C01I C02D C037 0(3) . . . . ?
C03E C03O C03P C037 -3(5) . . . . ?
C03F C02A C02Z C03H 5(3) . . . . ?
C03F C036 C03J C03H 0(4) . . . . ?
C03G C035 C03I C039 12(3) . . . . ?
C03G C03L C03S C039 8(4) . . . . ?
C03I C035 C03G C03L -7(3) . . . . ?
C03I C039 C03S C03L -3(4) . . . . ?
C03J C036 C03F C02A -5(3) . . . . ?
C03Q C02G C02X C03C 0(3) . . . . ?
C03S C039 C03I C035 -6(3) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.233 0.286 0.957 44.2 2.2 ?
2 0.167 0.259 0.611 7.2 0.4 ?
3 0.459 0.299 0.781 9.4 0.3 ?
4 0.541 0.701 0.219 9.4 0.3 ?
5 0.767 0.714 0.043 44.2 2.2 ?
6 0.833 0.741 0.389 7.2 0.4 ?

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.913
_oxdiff_exptl_absorpt_empirical_full_min 0.526
# start Validation Reply Form
_vrf_PLAT029_hy                  
;
PROBLEM: _diffrn_measured_fraction_theta_full value Low .      0.887 Why?  
RESPONSE: The completeness of data is less than the usual 99-100% for
this compound, however it is only the very high angle data that is incomplete 
. On the two hand, the instrument used for single crystal collection was 'four-
circle diffractometer', and the partial lack of completeness of data collection does 
not affect the accuracy of structure.
;
_vrf_THETM01_hy                  
;
PROBLEM: The value of sine(theta_max)/wavelength is less than 0.550
RESPONSE: The crystal under investigation showed no significant intensity
above 0.99\A resolution.
;
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_hy_CCDC2
_database_code_depnum_ccdc_archive 'CCDC 2303395'
loop_
_audit_author_name
_audit_author_address
'Fan Yang'
;UCAS
China
;
_audit_update_record             
;
2023-12-08 deposited with the CCDC.	2024-07-17 downloaded from the CCDC.
;
_audit_creation_date             2023-11-03
_audit_creation_method           
;
Olex2 1.5-beta
(compiled 2023.08.24 svn.re1ec1418 for OlexSys, GUI svn.r6817)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '2(C36 H24 Fe N6), C40 H20 Al4 O20, 2(H2 O)'
_chemical_formula_sum            'C112 H72 Al4 Fe2 N12 O22'
_chemical_formula_weight         2157.43
_chemical_melting_point          ?
_chemical_oxdiff_formula         'Al Fe C H O N '
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0137 0.0067 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Al Al 0.1771 0.1873 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Fe Fe -0.2673 2.5550 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0241 0.0134 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0389 0.0241 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'I 1 2/a 1'
_space_group_name_Hall           '-I 2ya'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y, -z'
'x+1/2, y+1/2, z+1/2'
'-x+1, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y, z'
'-x+1/2, -y+1/2, -z+1/2'
'x, -y+1/2, z+1/2'

_cell_length_a                   29.3776(9)
_cell_length_b                   11.8729(2)
_cell_length_c                   30.2151(9)
_cell_angle_alpha                90
_cell_angle_beta                 117.862(4)
_cell_angle_gamma                90
_cell_volume                     9317.2(5)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    36533
_cell_measurement_temperature    99.9(4)
_cell_measurement_theta_max      59.8020
_cell_measurement_theta_min      2.1020
_shelx_estimated_absorpt_T_max   0.793
_shelx_estimated_absorpt_T_min   0.793
_exptl_absorpt_coefficient_mu    2.435
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.74264
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.115a (Rigaku Oxford Diffraction, 2021)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.538
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             4432
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0283
_diffrn_reflns_av_unetI/netI     0.0271
_diffrn_reflns_Laue_measured_fraction_full 0.982
_diffrn_reflns_Laue_measured_fraction_max 0.982
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            15334
_diffrn_reflns_point_group_measured_fraction_full 0.982
_diffrn_reflns_point_group_measured_fraction_max 0.982
_diffrn_reflns_theta_full        42.642
_diffrn_reflns_theta_max         42.642
_diffrn_reflns_theta_min         2.876
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω   -107.00 -37.00   0.50    0.06    --  -79.29 125.00-150.00  140
  2  ω    -97.00 -69.00   0.50    0.06    --  -79.29 108.00-139.00   56
  3  ω   -105.00 -72.00   0.50    0.06    --  -79.29  77.00-120.00   66
  4  ω    -63.00 -26.00   0.50    0.06    --  -79.29  77.00-120.00   74
  5  ω    -68.00 -10.00   0.50    0.06    --  -79.29  30.00  60.00  116
  6  ω    -72.00 -23.00   0.50    0.05    --   -1.48 -77.00 120.00   98
  7  ω     -9.00  30.00   0.50    0.05    --   -1.48 -77.00 120.00   78
  8  ω    -80.00 -54.00   0.50    0.05    --   -1.48 -38.00 -90.00   52
  9  ω     -8.00  21.00   0.50    0.05    --   -1.48 -38.00 -90.00   58
 10  ω     -6.00  39.00   0.50    0.05    --   -1.48 -99.00 -30.00   90
 11  ω     -8.00  17.00   0.50    0.05    --   -1.48 -99.00-150.00   50
 12  ω     -7.00  22.00   0.50    0.05    --   -1.48 -99.00-180.00   58
 13  ω     -7.00  18.00   0.50    0.05    --   -1.48 -99.00-120.00   50
 14  ω     -6.00  32.00   0.50    0.05    --   -1.48 -99.00   0.00   76
 15  ω     36.00 101.00   0.50    0.06    --   76.33-125.00   0.00  130
 16  ω     24.00  92.00   0.50    0.06    --   76.33-125.00 -30.00  136
 17  ω     22.00 105.00   0.50    0.06    --   76.33-125.00 120.00  166
 18  ω     50.00 103.00   0.50    0.06    --   76.33-108.00 123.00  106
 19  ω     48.00 102.00   0.50    0.06    --   76.33 -61.00 -60.00  108
 20  ω      8.00  75.00   0.50    0.06    --   76.33 -45.00 -60.00  134
 21  ω      3.00  61.00   0.50    0.06    --   76.33 -45.00  90.00  116
 22  ω     95.00 121.00   0.50    0.06    --   76.33 125.00 -30.00   52
 23  ω     80.00 141.00   0.50    0.06    --   76.33 125.00-180.00  122
 24  ω     94.00 120.00   0.50    0.06    --   76.33 108.00-139.00   52
 25  ω   -152.00 -54.00   0.50    0.06    --  -79.29 -45.00 150.00  196
 26  ω   -156.00 -55.00   0.50    0.06    --  -79.29 -45.00 120.00  202
 27  ω   -155.00 -84.00   0.50    0.06    --  -79.29 -94.00  90.00  142
 28  ω   -132.00 -87.00   0.50    0.06    --  -79.29-108.00 123.00   90
 29  ω   -131.50-119.00   0.50    0.06    --  -79.29 -61.00  30.00   25
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'ROD, Synergy Custom system, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0204931000
_diffrn_orient_matrix_UB_12      -0.0849042000
_diffrn_orient_matrix_UB_13      -0.0139509000
_diffrn_orient_matrix_UB_21      0.0016936000
_diffrn_orient_matrix_UB_22      -0.0631459000
_diffrn_orient_matrix_UB_23      0.0374823000
_diffrn_orient_matrix_UB_31      -0.0472696000
_diffrn_orient_matrix_UB_32      -0.0390472000
_diffrn_orient_matrix_UB_33      -0.0302462000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           GaK\a
_diffrn_radiation_wavelength     1.3405
_diffrn_source                   'micro-focus metaljet'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4329
_reflns_number_total             4937
_reflns_odcompleteness_completeness 52.35
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     56.82
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.41.115a (Rigaku OD, 2021)'
_computing_data_collection       'CrysAlisPro 1.171.41.115a (Rigaku OD, 2021)'
_computing_data_reduction        'CrysAlisPro 1.171.41.115a (Rigaku OD, 2021)'
_computing_molecular_graphics    'Olex2 1.5-beta (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5-beta (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.251
_refine_diff_density_min         -0.285
_refine_diff_density_rms         0.042
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.051
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     700
_refine_ls_number_reflns         4937
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0481
_refine_ls_R_factor_gt           0.0409
_refine_ls_restrained_S_all      1.051
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0534P)²+19.3366P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1046
_refine_ls_wR_factor_ref         0.1079
_refine_special_details          ?
_olex2_refinement_description    
;
1. Restrained distances
 O1-O2
 2.7 with sigma of 0.02
2. Others
 Fixed Sof: O1(0.5) H1A(0.5) H1B(0.5) O2(0.5) H2A(0.5) H2B(0.5)
3.a Free rotating group:
 O1(H1A,H1B), O2(H2A,H2B)
3.b Aromatic/amide H refined with riding coordinates:
 C00V(H00V), C011(H011), C012(H012), C013(H013), C014(H014), C015(H015),
 C016(H016), C018(H018), C019(H019), C01A(H01A), C01D(H01D), C01F(H01F),
 C01G(H01G), C01H(H01H), C01I(H01I), C01J(H01J), C01K(H01K), C01L(H01L),
 C01M(H01M), C01N(H01N), C01O(H01O), C01Q(H01Q), C01R(H01R), C01S(H01S),
 C01T(H01T), C01U(H01U), C01V(H01V), C01W(H01W), C01Y(H01Y), C01Z(H01Z),
 C020(H020), C021(H021), C022(H022), C023(H023)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Fe01 Fe 0.32396(2) 0.92177(5) 0.67625(2) 0.0459(2) Uani 1 1 d . . . . .
Al02 Al 0.59188(4) 0.52425(9) 0.60553(4) 0.0365(3) Uani 1 1 d . . . . .
Al03 Al 0.53550(4) 0.46867(9) 0.48025(4) 0.0366(3) Uani 1 1 d . . . . .
O004 O 0.50965(8) 0.41484(19) 0.52274(8) 0.0345(6) Uani 1 1 d . . . . .
O005 O 0.52300(8) 0.59101(19) 0.57669(8) 0.0381(6) Uani 1 1 d . . . . .
O006 O 0.58923(8) 0.53200(19) 0.54128(8) 0.0383(6) Uani 1 1 d . . . . .
O007 O 0.42637(8) 0.6577(2) 0.51421(9) 0.0440(6) Uani 1 1 d . . . . .
O008 O 0.55905(9) 0.5446(2) 0.44258(8) 0.0455(7) Uani 1 1 d . . . . .
O009 O 0.57876(9) 0.3915(2) 0.62186(8) 0.0460(7) Uani 1 1 d . . . . .
O00A O 0.60486(9) 0.6259(2) 0.65522(9) 0.0482(7) Uani 1 1 d . . . . .
O00B O 0.66204(9) 0.5159(2) 0.62887(9) 0.0507(7) Uani 1 1 d . . . . .
O00C O 0.38911(10) 0.7790(3) 0.54234(10) 0.0647(8) Uani 1 1 d . . . . .
O00D O 0.61533(11) 0.6071(3) 0.41961(11) 0.0699(8) Uani 1 1 d . . . . .
N00E N 0.34702(11) 0.7749(3) 0.66516(11) 0.0474(8) Uani 1 1 d . . . . .
N00F N 0.39514(12) 0.9700(3) 0.72314(12) 0.0500(8) Uani 1 1 d . . . . .
N00G N 0.25153(12) 0.8867(3) 0.62814(11) 0.0467(8) Uani 1 1 d . . . . .
N00H N 0.31757(11) 0.8408(3) 0.72956(11) 0.0460(8) Uani 1 1 d . . . . .
N00I N 0.29270(12) 1.0614(3) 0.68479(13) 0.0524(9) Uani 1 1 d . . . . .
C00J C 0.51956(13) 0.6752(3) 0.60523(13) 0.0363(9) Uani 1 1 d . . . . .
N00K N 0.33884(13) 0.9997(3) 0.62718(13) 0.0567(9) Uani 1 1 d . . . . .
C00L C 0.51557(13) 0.3114(3) 0.54496(13) 0.0378(9) Uani 1 1 d . . . . .
C00M C 0.63714(13) 0.5437(3) 0.54449(14) 0.0433(10) Uani 1 1 d . . . . .
C00N C 0.42732(15) 0.7255(3) 0.54786(14) 0.0446(10) Uani 1 1 d . . . . .
C00O C 0.55072(13) 0.3030(3) 0.59627(14) 0.0397(9) Uani 1 1 d . . . . .
C00P C 0.34531(13) 0.6932(3) 0.69584(14) 0.0436(10) Uani 1 1 d . . . . .
C00Q C 0.56571(14) 0.6926(3) 0.64907(14) 0.0435(10) Uani 1 1 d . . . . .
C00R C 0.21862(15) 0.9734(3) 0.62214(14) 0.0468(10) Uani 1 1 d . . . . .
C00S C 0.67649(14) 0.5324(3) 0.59409(15) 0.0505(11) Uani 1 1 d . . . . .
C00T C 0.47666(13) 0.7401(3) 0.59463(13) 0.0408(9) Uani 1 1 d . . . . .
C00U C 0.24089(15) 1.0688(3) 0.65219(15) 0.0488(10) Uani 1 1 d . . . . .
C00V C 0.48771(15) 0.2201(3) 0.51879(15) 0.0519(11) Uani 1 1 d . . . . .
H00V H 0.464591 0.227160 0.484950 0.062 Uiso 1 1 calc R . . . .
C00W C 0.32953(13) 0.7296(3) 0.73126(14) 0.0440(10) Uani 1 1 d . . . . .
C00X C 0.60521(16) 0.5737(3) 0.45223(16) 0.0523(11) Uani 1 1 d . . . . .
C00Y C 0.35805(15) 0.5811(4) 0.69413(15) 0.0528(11) Uani 1 1 d . . . . .
C00Z C 0.41540(15) 1.0377(4) 0.70072(17) 0.0555(11) Uani 1 1 d . . . . .
C010 C 0.16513(15) 0.9678(4) 0.59086(15) 0.0571(11) Uani 1 1 d . . . . .
C011 C 0.56816(16) 0.7757(3) 0.68161(16) 0.0581(12) Uani 1 1 d . . . . .
H011 H 0.598763 0.788246 0.710711 0.070 Uiso 1 1 calc R . . . .
C012 C 0.23021(16) 0.7924(4) 0.60311(15) 0.0558(11) Uani 1 1 d . . . . .
H012 H 0.251853 0.732650 0.605888 0.067 Uiso 1 1 calc R . . . .
C013 C 0.48060(15) 0.8232(3) 0.62870(15) 0.0559(11) Uani 1 1 d . . . . .
H013 H 0.452065 0.867665 0.622157 0.067 Uiso 1 1 calc R . . . .
C014 C 0.30583(14) 0.8788(4) 0.76467(15) 0.0559(11) Uani 1 1 d . . . . .
H014 H 0.298286 0.954845 0.764760 0.067 Uiso 1 1 calc R . . . .
C015 C 0.55490(15) 0.1990(4) 0.61893(15) 0.0536(11) Uani 1 1 d . . . . .
H015 H 0.577078 0.191560 0.653000 0.064 Uiso 1 1 calc R . . . .
C016 C 0.17770(16) 0.7780(4) 0.57315(15) 0.0622(12) Uani 1 1 d . . . . .
H016 H 0.164711 0.709268 0.557628 0.075 Uiso 1 1 calc R . . . .
C017 C 0.32811(15) 0.6545(4) 0.76597(15) 0.0537(11) Uani 1 1 d . . . . .
C018 C 0.14531(17) 0.8662(5) 0.56675(16) 0.0676(13) Uani 1 1 d . . . . .
H018 H 0.110067 0.858132 0.546292 0.081 Uiso 1 1 calc R . . . .
C019 C 0.36132(16) 0.7426(4) 0.63099(16) 0.0589(11) Uani 1 1 d . . . . .
H019 H 0.363482 0.796593 0.609760 0.071 Uiso 1 1 calc R . . . .
C01A C 0.42367(15) 0.9484(4) 0.77164(16) 0.0589(12) Uani 1 1 d . . . . .
H01A H 0.410405 0.901178 0.787348 0.071 Uiso 1 1 calc R . . . .
C01B C 0.64628(15) 0.5638(4) 0.50500(15) 0.0612(12) Uani 1 1 d . . . . .
C01C C 0.21053(16) 1.1605(4) 0.65022(16) 0.0578(11) Uani 1 1 d . . . . .
C01D C 0.30447(16) 0.8091(4) 0.80106(15) 0.0613(12) Uani 1 1 d . . . . .
H01D H 0.296403 0.838695 0.825033 0.074 Uiso 1 1 calc R . . . .
C01E C 0.38513(16) 1.0543(4) 0.64858(17) 0.0583(12) Uani 1 1 d . . . . .
C01F C 0.31495(16) 0.6980(4) 0.80139(16) 0.0636(13) Uani 1 1 d . . . . .
H01F H 0.313383 0.650758 0.825181 0.076 Uiso 1 1 calc R . . . .
C01G C 0.37173(16) 0.5507(4) 0.65731(18) 0.0648(12) Uani 1 1 d . . . . .
H01G H 0.379834 0.476484 0.654119 0.078 Uiso 1 1 calc R . . . .
C01H C 0.52532(17) 0.8409(4) 0.67139(16) 0.0656(13) Uani 1 1 d . . . . .
H01H H 0.527115 0.896745 0.693713 0.079 Uiso 1 1 calc R . . . .
C01I C 0.49374(17) 0.1169(4) 0.54246(18) 0.0649(12) Uani 1 1 d . . . . .
H01I H 0.475113 0.054582 0.524450 0.078 Uiso 1 1 calc R . . . .
C01J C 0.31328(17) 1.1468(4) 0.71559(17) 0.0649(12) Uani 1 1 d . . . . .
H01J H 0.348050 1.143081 0.738586 0.078 Uiso 1 1 calc R . . . .
C01K C 0.52737(17) 0.1072(4) 0.59263(17) 0.0629(12) Uani 1 1 d . . . . .
H01K H 0.531415 0.038373 0.608712 0.075 Uiso 1 1 calc R . . . .
C01L C 0.23452(19) 1.2498(4) 0.68275(19) 0.0713(13) Uani 1 1 d . . . . .
H01L H 0.215944 1.313756 0.682160 0.086 Uiso 1 1 calc R . . . .
C01M C 0.47292(16) 0.9941(4) 0.80004(18) 0.0693(13) Uani 1 1 d . . . . .
H01M H 0.492330 0.976346 0.833765 0.083 Uiso 1 1 calc R . . . .
C01N C 0.35607(17) 0.5057(4) 0.72951(18) 0.0695(13) Uani 1 1 d . . . . .
H01N H 0.364429 0.430403 0.728867 0.083 Uiso 1 1 calc R . . . .
C01O C 0.37296(17) 0.6322(4) 0.62613(18) 0.0679(13) Uani 1 1 d . . . . .
H01O H 0.381768 0.613176 0.601246 0.081 Uiso 1 1 calc R . . . .
C01P C 0.46345(17) 1.0889(4) 0.7263(2) 0.0717(13) Uani 1 1 d . . . . .
C01Q C 0.34237(18) 0.5404(4) 0.76408(18) 0.0715(13) Uani 1 1 d . . . . .
H01Q H 0.342202 0.488903 0.787195 0.086 Uiso 1 1 calc R . . . .
C01R C 0.13530(18) 1.0643(5) 0.58881(19) 0.0759(14) Uani 1 1 d . . . . .
H01R H 0.100003 1.063375 0.567621 0.091 Uiso 1 1 calc R . . . .
C01S C 0.72685(16) 0.5394(5) 0.60288(18) 0.0864(17) Uani 1 1 d . . . . .
H01S H 0.753742 0.529207 0.635024 0.104 Uiso 1 1 calc R . . . .
C01T C 0.15655(18) 1.1558(4) 0.61640(19) 0.0750(14) Uani 1 1 d . . . . .
H01T H 0.135926 1.217582 0.613618 0.090 Uiso 1 1 calc R . . . .
C01U C 0.31086(19) 1.0094(4) 0.57770(18) 0.0804(15) Uani 1 1 d . . . . .
H01U H 0.279179 0.973069 0.562080 0.096 Uiso 1 1 calc R . . . .
C01V C 0.28598(19) 1.2419(4) 0.71562(19) 0.0735(14) Uani 1 1 d . . . . .
H01V H 0.302562 1.300251 0.737920 0.088 Uiso 1 1 calc R . . . .
C01W C 0.49170(18) 1.0652(5) 0.7770(2) 0.0846(16) Uani 1 1 d . . . . .
H01W H 0.523853 1.098236 0.795453 0.102 Uiso 1 1 calc R . . . .
C01X C 0.40321(19) 1.1203(4) 0.6216(2) 0.0806(15) Uani 1 1 d . . . . .
C01Y C 0.4800(2) 1.1601(5) 0.6986(3) 0.1016(19) Uani 1 1 d . . . . .
H01Y H 0.511529 1.196831 0.715322 0.122 Uiso 1 1 calc R . . . .
C01Z C 0.3267(2) 1.0714(5) 0.5482(2) 0.104(2) Uani 1 1 d . . . . .
H01Z H 0.306157 1.073897 0.513663 0.125 Uiso 1 1 calc R . . . .
C020 C 0.69807(19) 0.5739(7) 0.5160(2) 0.125(3) Uani 1 1 d . . . . .
H020 H 0.706161 0.589341 0.490272 0.150 Uiso 1 1 calc R . . . .
C021 C 0.3716(3) 1.1277(5) 0.5695(2) 0.1026(19) Uani 1 1 d . . . . .
H021 H 0.381683 1.171074 0.549955 0.123 Uiso 1 1 calc R . . . .
C022 C 0.4518(2) 1.1756(5) 0.6492(3) 0.1020(19) Uani 1 1 d . . . . .
H022 H 0.463851 1.223066 0.632504 0.122 Uiso 1 1 calc R . . . .
C023 C 0.73688(19) 0.5615(8) 0.5639(2) 0.151(4) Uani 1 1 d . . . . .
H023 H 0.770878 0.568234 0.570003 0.182 Uiso 1 1 calc R . . . .
O1 O 0.2183(3) 0.8293(8) 0.4942(3) 0.112(3) Uani 0.5 1 d D . P . .
H1A H 0.217236 0.875218 0.472143 0.168 Uiso 0.5 1 d G . P . .
H1B H 0.186338 0.810531 0.488078 0.168 Uiso 0.5 1 d G . P . .
O2 O 0.2902(4) 0.6742(9) 0.5056(5) 0.142(3) Uani 0.5 1 d D . P . .
H2A H 0.316895 0.704935 0.528609 0.213 Uiso 0.5 1 d G . P . .
H2B H 0.286022 0.696308 0.477231 0.213 Uiso 0.5 1 d G . P . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Fe01 N00E 1.956(3) . ?
Fe01 N00F 1.985(3) . ?
Fe01 N00G 1.981(3) . ?
Fe01 N00H 1.959(3) . ?
Fe01 N00I 1.970(3) . ?
Fe01 N00K 1.962(3) . ?
Al02 O005 1.958(2) . ?
Al02 O006 1.908(2) . ?
Al02 O009 1.748(3) . ?
Al02 O00A 1.822(3) . ?
Al02 O00B 1.843(2) . ?
Al03 Al03 2.942(2) 5_666 ?
Al03 O004 1.889(2) 5_666 ?
Al03 O004 1.882(2) . ?
Al03 O005 1.911(2) 5_666 ?
Al03 O006 1.933(2) . ?
Al03 O007 1.832(3) 5_666 ?
Al03 O008 1.823(3) . ?
O004 C00L 1.372(4) . ?
O005 C00J 1.354(4) . ?
O006 C00M 1.372(4) . ?
O007 C00N 1.287(4) . ?
O008 C00X 1.294(5) . ?
O009 C00O 1.336(4) . ?
O00A C00Q 1.336(4) . ?
O00B C00S 1.319(4) . ?
O00C C00N 1.231(4) . ?
O00D C00X 1.222(5) . ?
N00E C00P 1.358(5) . ?
N00E C019 1.340(5) . ?
N00F C00Z 1.355(5) . ?
N00F C01A 1.329(5) . ?
N00G C00R 1.366(5) . ?
N00G C012 1.332(5) . ?
N00H C00W 1.361(5) . ?
N00H C014 1.338(5) . ?
N00I C00U 1.376(5) . ?
N00I C01J 1.317(5) . ?
C00J C00Q 1.399(5) . ?
C00J C00T 1.381(5) . ?
N00K C01E 1.366(5) . ?
N00K C01U 1.333(5) . ?
C00L C00O 1.408(5) . ?
C00L C00V 1.365(5) . ?
C00M C00S 1.407(5) . ?
C00M C01B 1.361(5) . ?
C00N C00T 1.488(5) . ?
C00O C015 1.389(5) . ?
C00P C00W 1.418(5) . ?
C00P C00Y 1.391(5) . ?
C00Q C011 1.370(5) . ?
C00R C00U 1.407(5) . ?
C00R C010 1.407(5) . ?
C00S C01S 1.378(6) . ?
C00T C013 1.391(5) . ?
C00U C01C 1.391(6) . ?
C00V H00V 0.9300 . ?
C00V C01I 1.388(6) . ?
C00W C017 1.392(5) . ?
C00X C01B 1.488(6) . ?
C00Y C01G 1.395(6) . ?
C00Y C01N 1.416(6) . ?
C00Z C01E 1.415(6) . ?
C00Z C01P 1.392(6) . ?
C010 C018 1.389(6) . ?
C010 C01R 1.426(6) . ?
C011 H011 0.9300 . ?
C011 C01H 1.384(6) . ?
C012 H012 0.9300 . ?
C012 C016 1.387(5) . ?
C013 H013 0.9300 . ?
C013 C01H 1.360(6) . ?
C014 H014 0.9300 . ?
C014 C01D 1.392(6) . ?
C015 H015 0.9300 . ?
C015 C01K 1.368(6) . ?
C016 H016 0.9300 . ?
C016 C018 1.366(6) . ?
C017 C01F 1.396(6) . ?
C017 C01Q 1.427(6) . ?
C018 H018 0.9300 . ?
C019 H019 0.9300 . ?
C019 C01O 1.379(6) . ?
C01A H01A 0.9300 . ?
C01A C01M 1.401(6) . ?
C01B C020 1.403(6) . ?
C01C C01L 1.393(6) . ?
C01C C01T 1.431(6) . ?
C01D H01D 0.9300 . ?
C01D C01F 1.353(6) . ?
C01E C01X 1.401(6) . ?
C01F H01F 0.9300 . ?
C01G H01G 0.9300 . ?
C01G C01O 1.363(6) . ?
C01H H01H 0.9300 . ?
C01I H01I 0.9300 . ?
C01I C01K 1.374(6) . ?
C01J H01J 0.9300 . ?
C01J C01V 1.385(6) . ?
C01K H01K 0.9300 . ?
C01L H01L 0.9300 . ?
C01L C01V 1.370(6) . ?
C01M H01M 0.9300 . ?
C01M C01W 1.365(7) . ?
C01N H01N 0.9300 . ?
C01N C01Q 1.348(6) . ?
C01O H01O 0.9300 . ?
C01P C01W 1.387(7) . ?
C01P C01Y 1.428(7) . ?
C01Q H01Q 0.9300 . ?
C01R H01R 0.9300 . ?
C01R C01T 1.333(6) . ?
C01S H01S 0.9300 . ?
C01S C023 1.368(7) . ?
C01T H01T 0.9300 . ?
C01U H01U 0.9300 . ?
C01U C01Z 1.393(7) . ?
C01V H01V 0.9300 . ?
C01W H01W 0.9300 . ?
C01X C021 1.410(7) . ?
C01X C022 1.432(7) . ?
C01Y H01Y 0.9300 . ?
C01Y C022 1.338(8) . ?
C01Z H01Z 0.9300 . ?
C01Z C021 1.343(7) . ?
C020 H020 0.9300 . ?
C020 C023 1.369(7) . ?
C021 H021 0.9300 . ?
C022 H022 0.9300 . ?
C023 H023 0.9300 . ?
O1 H1A 0.8499 . ?
O1 H1B 0.8975 . ?
O2 H2A 0.8501 . ?
O2 H2B 0.8499 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N00E Fe01 N00F 92.63(12) . . ?
N00E Fe01 N00G 91.49(13) . . ?
N00E Fe01 N00H 82.93(14) . . ?
N00E Fe01 N00I 173.22(13) . . ?
N00E Fe01 N00K 94.23(14) . . ?
N00G Fe01 N00F 175.36(14) . . ?
N00H Fe01 N00F 91.63(13) . . ?
N00H Fe01 N00G 90.99(12) . . ?
N00H Fe01 N00I 94.35(14) . . ?
N00H Fe01 N00K 173.46(13) . . ?
N00I Fe01 N00F 93.65(13) . . ?
N00I Fe01 N00G 82.33(14) . . ?
N00K Fe01 N00F 82.59(14) . . ?
N00K Fe01 N00G 94.98(13) . . ?
N00K Fe01 N00I 89.10(14) . . ?
O006 Al02 O005 89.16(10) . . ?
O009 Al02 O005 99.93(11) . . ?
O009 Al02 O006 114.90(12) . . ?
O009 Al02 O00A 110.71(13) . . ?
O009 Al02 O00B 101.42(12) . . ?
O00A Al02 O005 82.73(11) . . ?
O00A Al02 O006 134.39(12) . . ?
O00A Al02 O00B 87.39(12) . . ?
O00B Al02 O005 158.50(13) . . ?
O00B Al02 O006 84.18(11) . . ?
O004 Al03 Al03 38.82(7) . 5_666 ?
O004 Al03 Al03 38.66(7) 5_666 5_666 ?
O004 Al03 O004 77.48(11) . 5_666 ?
O004 Al03 O005 90.48(10) . 5_666 ?
O004 Al03 O005 84.98(10) 5_666 5_666 ?
O004 Al03 O006 90.17(10) 5_666 . ?
O004 Al03 O006 83.76(10) . . ?
O005 Al03 Al03 87.09(8) 5_666 5_666 ?
O005 Al03 O006 173.17(11) 5_666 . ?
O006 Al03 Al03 86.12(8) . 5_666 ?
O007 Al03 Al03 133.55(10) 5_666 5_666 ?
O007 Al03 O004 171.63(12) 5_666 5_666 ?
O007 Al03 O004 94.81(11) 5_666 . ?
O007 Al03 O005 91.89(11) 5_666 5_666 ?
O007 Al03 O006 92.26(11) 5_666 . ?
O008 Al03 Al03 132.55(10) . 5_666 ?
O008 Al03 O004 170.21(12) . . ?
O008 Al03 O004 94.08(11) . 5_666 ?
O008 Al03 O005 93.74(11) . 5_666 ?
O008 Al03 O006 91.39(11) . . ?
O008 Al03 O007 93.87(12) . 5_666 ?
Al03 O004 Al03 102.52(11) . 5_666 ?
C00L O004 Al03 127.2(2) . 5_666 ?
C00L O004 Al03 129.7(2) . . ?
Al03 O005 Al02 123.92(13) 5_666 . ?
C00J O005 Al02 112.61(19) . . ?
C00J O005 Al03 122.9(2) . 5_666 ?
Al02 O006 Al03 125.35(12) . . ?
C00M O006 Al02 112.3(2) . . ?
C00M O006 Al03 117.4(2) . . ?
C00N O007 Al03 130.8(2) . 5_666 ?
C00X O008 Al03 130.9(3) . . ?
C00O O009 Al02 134.7(2) . . ?
C00Q O00A Al02 116.3(2) . . ?
C00S O00B Al02 113.9(2) . . ?
C00P N00E Fe01 113.2(3) . . ?
C019 N00E Fe01 130.2(3) . . ?
C019 N00E C00P 116.5(4) . . ?
C00Z N00F Fe01 112.1(3) . . ?
C01A N00F Fe01 130.0(3) . . ?
C01A N00F C00Z 117.9(3) . . ?
C00R N00G Fe01 112.9(3) . . ?
C012 N00G Fe01 130.7(3) . . ?
C012 N00G C00R 116.3(3) . . ?
C00W N00H Fe01 112.6(3) . . ?
C014 N00H Fe01 130.2(3) . . ?
C014 N00H C00W 117.1(3) . . ?
C00U N00I Fe01 112.8(3) . . ?
C01J N00I Fe01 130.7(3) . . ?
C01J N00I C00U 116.5(4) . . ?
O005 C00J C00Q 112.6(3) . . ?
O005 C00J C00T 126.6(3) . . ?
C00T C00J C00Q 120.8(3) . . ?
C01E N00K Fe01 113.0(3) . . ?
C01U N00K Fe01 130.6(3) . . ?
C01U N00K C01E 116.4(4) . . ?
O004 C00L C00O 117.5(3) . . ?
C00V C00L O004 121.5(3) . . ?
C00V C00L C00O 120.9(3) . . ?
O006 C00M C00S 111.8(3) . . ?
C01B C00M O006 124.9(3) . . ?
C01B C00M C00S 123.4(3) . . ?
O007 C00N C00T 118.4(3) . . ?
O00C C00N O007 122.3(3) . . ?
O00C C00N C00T 119.3(4) . . ?
O009 C00O C00L 121.2(3) . . ?
O009 C00O C015 121.7(3) . . ?
C015 C00O C00L 117.1(3) . . ?
N00E C00P C00W 115.3(4) . . ?
N00E C00P C00Y 124.2(4) . . ?
C00Y C00P C00W 120.5(4) . . ?
O00A C00Q C00J 115.7(3) . . ?
O00A C00Q C011 125.0(3) . . ?
C011 C00Q C00J 119.3(4) . . ?
N00G C00R C00U 115.8(3) . . ?
N00G C00R C010 123.5(4) . . ?
C00U C00R C010 120.6(4) . . ?
O00B C00S C00M 116.9(3) . . ?
O00B C00S C01S 124.9(4) . . ?
C01S C00S C00M 118.2(4) . . ?
C00J C00T C00N 122.2(3) . . ?
C00J C00T C013 118.2(3) . . ?
C013 C00T C00N 119.5(3) . . ?
N00I C00U C00R 115.9(4) . . ?
N00I C00U C01C 123.6(4) . . ?
C01C C00U C00R 120.5(4) . . ?
C00L C00V H00V 119.8 . . ?
C00L C00V C01I 120.3(4) . . ?
C01I C00V H00V 119.8 . . ?
N00H C00W C00P 115.9(3) . . ?
N00H C00W C017 123.5(4) . . ?
C017 C00W C00P 120.6(4) . . ?
O008 C00X C01B 117.4(4) . . ?
O00D C00X O008 122.0(4) . . ?
O00D C00X C01B 120.6(4) . . ?
C00P C00Y C01G 117.4(4) . . ?
C00P C00Y C01N 118.1(4) . . ?
C01G C00Y C01N 124.6(4) . . ?
N00F C00Z C01E 116.4(4) . . ?
N00F C00Z C01P 123.3(4) . . ?
C01P C00Z C01E 120.3(4) . . ?
C00R C010 C01R 117.5(4) . . ?
C018 C010 C00R 117.2(4) . . ?
C018 C010 C01R 125.2(4) . . ?
C00Q C011 H011 119.8 . . ?
C00Q C011 C01H 120.3(4) . . ?
C01H C011 H011 119.8 . . ?
N00G C012 H012 118.0 . . ?
N00G C012 C016 124.0(4) . . ?
C016 C012 H012 118.0 . . ?
C00T C013 H013 119.3 . . ?
C01H C013 C00T 121.3(4) . . ?
C01H C013 H013 119.3 . . ?
N00H C014 H014 118.7 . . ?
N00H C014 C01D 122.6(4) . . ?
C01D C014 H014 118.7 . . ?
C00O C015 H015 119.0 . . ?
C01K C015 C00O 121.9(4) . . ?
C01K C015 H015 119.0 . . ?
C012 C016 H016 120.4 . . ?
C018 C016 C012 119.1(4) . . ?
C018 C016 H016 120.4 . . ?
C00W C017 C01F 117.2(4) . . ?
C00W C017 C01Q 117.7(4) . . ?
C01F C017 C01Q 125.0(4) . . ?
C010 C018 H018 120.1 . . ?
C016 C018 C010 119.8(4) . . ?
C016 C018 H018 120.1 . . ?
N00E C019 H019 118.8 . . ?
N00E C019 C01O 122.5(4) . . ?
C01O C019 H019 118.8 . . ?
N00F C01A H01A 118.7 . . ?
N00F C01A C01M 122.6(4) . . ?
C01M C01A H01A 118.7 . . ?
C00M C01B C00X 124.0(4) . . ?
C00M C01B C020 116.4(4) . . ?
C020 C01B C00X 119.6(4) . . ?
C00U C01C C01L 117.6(4) . . ?
C00U C01C C01T 118.3(4) . . ?
C01L C01C C01T 124.0(4) . . ?
C014 C01D H01D 120.2 . . ?
C01F C01D C014 119.7(4) . . ?
C01F C01D H01D 120.2 . . ?
N00K C01E C00Z 115.4(4) . . ?
N00K C01E C01X 123.7(4) . . ?
C01X C01E C00Z 120.9(4) . . ?
C017 C01F H01F 120.0 . . ?
C01D C01F C017 119.9(4) . . ?
C01D C01F H01F 120.0 . . ?
C00Y C01G H01G 120.7 . . ?
C01O C01G C00Y 118.6(4) . . ?
C01O C01G H01G 120.7 . . ?
C011 C01H H01H 120.0 . . ?
C013 C01H C011 120.0(4) . . ?
C013 C01H H01H 120.0 . . ?
C00V C01I H01I 120.2 . . ?
C01K C01I C00V 119.7(4) . . ?
C01K C01I H01I 120.2 . . ?
N00I C01J H01J 118.2 . . ?
N00I C01J C01V 123.6(4) . . ?
C01V C01J H01J 118.2 . . ?
C015 C01K C01I 120.0(4) . . ?
C015 C01K H01K 120.0 . . ?
C01I C01K H01K 120.0 . . ?
C01C C01L H01L 120.6 . . ?
C01V C01L C01C 118.8(4) . . ?
C01V C01L H01L 120.6 . . ?
C01A C01M H01M 120.8 . . ?
C01W C01M C01A 118.3(5) . . ?
C01W C01M H01M 120.8 . . ?
C00Y C01N H01N 119.2 . . ?
C01Q C01N C00Y 121.7(4) . . ?
C01Q C01N H01N 119.2 . . ?
C019 C01O H01O 119.6 . . ?
C01G C01O C019 120.8(4) . . ?
C01G C01O H01O 119.6 . . ?
C00Z C01P C01Y 117.9(5) . . ?
C01W C01P C00Z 116.9(5) . . ?
C01W C01P C01Y 125.2(5) . . ?
C017 C01Q H01Q 119.3 . . ?
C01N C01Q C017 121.4(4) . . ?
C01N C01Q H01Q 119.3 . . ?
C010 C01R H01R 119.0 . . ?
C01T C01R C010 121.9(4) . . ?
C01T C01R H01R 119.0 . . ?
C00S C01S H01S 120.3 . . ?
C023 C01S C00S 119.3(4) . . ?
C023 C01S H01S 120.3 . . ?
C01C C01T H01T 119.4 . . ?
C01R C01T C01C 121.1(4) . . ?
C01R C01T H01T 119.4 . . ?
N00K C01U H01U 118.4 . . ?
N00K C01U C01Z 123.3(5) . . ?
C01Z C01U H01U 118.4 . . ?
C01J C01V H01V 120.0 . . ?
C01L C01V C01J 119.9(4) . . ?
C01L C01V H01V 120.0 . . ?
C01M C01W C01P 120.8(4) . . ?
C01M C01W H01W 119.6 . . ?
C01P C01W H01W 119.6 . . ?
C01E C01X C021 117.0(5) . . ?
C01E C01X C022 117.7(5) . . ?
C021 C01X C022 125.3(5) . . ?
C01P C01Y H01Y 118.9 . . ?
C022 C01Y C01P 122.1(5) . . ?
C022 C01Y H01Y 118.9 . . ?
C01U C01Z H01Z 119.9 . . ?
C021 C01Z C01U 120.2(5) . . ?
C021 C01Z H01Z 119.9 . . ?
C01B C020 H020 119.5 . . ?
C023 C020 C01B 121.1(5) . . ?
C023 C020 H020 119.5 . . ?
C01X C021 H021 120.3 . . ?
C01Z C021 C01X 119.4(5) . . ?
C01Z C021 H021 120.3 . . ?
C01X C022 H022 119.5 . . ?
C01Y C022 C01X 121.0(5) . . ?
C01Y C022 H022 119.5 . . ?
C01S C023 C020 121.6(5) . . ?
C01S C023 H023 119.2 . . ?
C020 C023 H023 119.2 . . ?
H1A O1 H1B 110.2 . . ?
H2A O2 H2B 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Fe01 N00E C00P C00W -2.6(4) . . . . ?
Fe01 N00E C00P C00Y 177.7(3) . . . . ?
Fe01 N00E C019 C01O -175.0(3) . . . . ?
Fe01 N00F C00Z C01E -5.0(5) . . . . ?
Fe01 N00F C00Z C01P 175.6(3) . . . . ?
Fe01 N00F C01A C01M -176.8(3) . . . . ?
Fe01 N00G C00R C00U -2.8(4) . . . . ?
Fe01 N00G C00R C010 -178.5(3) . . . . ?
Fe01 N00G C012 C016 175.1(3) . . . . ?
Fe01 N00H C00W C00P 1.4(4) . . . . ?
Fe01 N00H C00W C017 179.7(3) . . . . ?
Fe01 N00H C014 C01D -178.0(3) . . . . ?
Fe01 N00I C00U C00R 5.3(4) . . . . ?
Fe01 N00I C00U C01C -178.6(3) . . . . ?
Fe01 N00I C01J C01V 177.5(3) . . . . ?
Fe01 N00K C01E C00Z 4.9(5) . . . . ?
Fe01 N00K C01E C01X -176.8(4) . . . . ?
Fe01 N00K C01U C01Z 178.0(4) . . . . ?
Al02 O005 C00J C00Q -1.4(4) . . . . ?
Al02 O005 C00J C00T 178.6(3) . . . . ?
Al02 O006 C00M C00S 7.7(4) . . . . ?
Al02 O006 C00M C01B -172.3(3) . . . . ?
Al02 O009 C00O C00L -12.2(5) . . . . ?
Al02 O009 C00O C015 167.7(3) . . . . ?
Al02 O00A C00Q C00J 0.4(4) . . . . ?
Al02 O00A C00Q C011 -178.5(3) . . . . ?
Al02 O00B C00S C00M -5.5(4) . . . . ?
Al02 O00B C00S C01S 174.5(4) . . . . ?
Al03 Al03 O004 C00L 171.6(3) 5_666 . . . ?
Al03 Al03 O008 C00X 118.4(3) 5_666 . . . ?
Al03 O004 C00L C00O 103.3(3) . . . . ?
Al03 O004 C00L C00O -86.9(3) 5_666 . . . ?
Al03 O004 C00L C00V 91.7(4) 5_666 . . . ?
Al03 O004 C00L C00V -78.1(4) . . . . ?
Al03 O005 C00J C00Q 170.5(2) 5_666 . . . ?
Al03 O005 C00J C00T -9.6(5) 5_666 . . . ?
Al03 O006 C00M C00S -148.9(3) . . . . ?
Al03 O006 C00M C01B 31.1(5) . . . . ?
Al03 O007 C00N O00C -152.1(3) 5_666 . . . ?
Al03 O007 C00N C00T 28.7(5) 5_666 . . . ?
Al03 O008 C00X O00D 166.9(3) . . . . ?
Al03 O008 C00X C01B -12.4(5) . . . . ?
O004 Al03 O004 Al03 -0.003(1) 5_666 . . 5_666 ?
O004 Al03 O004 C00L 171.6(3) 5_666 . . . ?
O004 Al03 O008 C00X 122.7(3) 5_666 . . . ?
O004 C00L C00O O009 -2.6(5) . . . . ?
O004 C00L C00O C015 177.4(3) . . . . ?
O004 C00L C00V C01I -178.7(3) . . . . ?
O005 Al02 O009 C00O 65.5(3) . . . . ?
O005 Al02 O00A C00Q -0.9(2) . . . . ?
O005 Al02 O00B C00S -64.9(4) . . . . ?
O005 Al03 O004 Al03 -84.75(11) 5_666 . . 5_666 ?
O005 Al03 O004 C00L 86.9(3) 5_666 . . . ?
O005 Al03 O008 C00X -152.1(3) 5_666 . . . ?
O005 C00J C00Q O00A 0.7(5) . . . . ?
O005 C00J C00Q C011 179.7(3) . . . . ?
O005 C00J C00T C00N -1.3(6) . . . . ?
O005 C00J C00T C013 -179.9(3) . . . . ?
O006 Al02 O009 C00O -28.2(3) . . . . ?
O006 Al02 O00A C00Q 80.7(3) . . . . ?
O006 Al02 O00B C00S 7.7(3) . . . . ?
O006 Al03 O004 Al03 91.56(11) . . . 5_666 ?
O006 Al03 O004 C00L -96.8(3) . . . . ?
O006 Al03 O008 C00X 32.4(3) . . . . ?
O006 C00M C00S O00B -1.6(5) . . . . ?
O006 C00M C00S C01S 178.4(4) . . . . ?
O006 C00M C01B C00X -1.3(7) . . . . ?
O006 C00M C01B C020 179.6(5) . . . . ?
O007 Al03 O004 Al03 -176.69(12) 5_666 . . 5_666 ?
O007 Al03 O004 C00L -5.1(3) 5_666 . . . ?
O007 Al03 O008 C00X -59.9(3) 5_666 . . . ?
O007 C00N C00T C00J -6.9(5) . . . . ?
O007 C00N C00T C013 171.8(3) . . . . ?
O008 C00X C01B C00M -10.9(6) . . . . ?
O008 C00X C01B C020 168.2(5) . . . . ?
O009 Al02 O00A C00Q -98.8(3) . . . . ?
O009 Al02 O00B C00S 122.0(3) . . . . ?
O009 C00O C015 C01K -178.1(4) . . . . ?
O00A Al02 O009 C00O 151.5(3) . . . . ?
O00A Al02 O00B C00S -127.4(3) . . . . ?
O00A C00Q C011 C01H 179.4(4) . . . . ?
O00B Al02 O009 C00O -117.0(3) . . . . ?
O00B Al02 O00A C00Q 160.0(3) . . . . ?
O00B C00S C01S C023 -177.3(6) . . . . ?
O00C C00N C00T C00J 173.9(3) . . . . ?
O00C C00N C00T C013 -7.5(6) . . . . ?
O00D C00X C01B C00M 169.8(4) . . . . ?
O00D C00X C01B C020 -11.1(7) . . . . ?
N00E C00P C00W N00H 0.8(4) . . . . ?
N00E C00P C00W C017 -177.6(3) . . . . ?
N00E C00P C00Y C01G -2.3(6) . . . . ?
N00E C00P C00Y C01N 178.0(4) . . . . ?
N00E C019 C01O C01G -1.8(7) . . . . ?
N00F C00Z C01E N00K 0.1(6) . . . . ?
N00F C00Z C01E C01X -178.2(4) . . . . ?
N00F C00Z C01P C01W 1.9(7) . . . . ?
N00F C00Z C01P C01Y -178.9(4) . . . . ?
N00F C01A C01M C01W 1.3(7) . . . . ?
N00G C00R C00U N00I -1.7(5) . . . . ?
N00G C00R C00U C01C -177.9(4) . . . . ?
N00G C00R C010 C018 2.7(6) . . . . ?
N00G C00R C010 C01R 179.0(4) . . . . ?
N00G C012 C016 C018 2.8(7) . . . . ?
N00H C00W C017 C01F -1.8(5) . . . . ?
N00H C00W C017 C01Q -179.0(4) . . . . ?
N00H C014 C01D C01F -0.5(6) . . . . ?
N00I C00U C01C C01L 0.9(6) . . . . ?
N00I C00U C01C C01T -176.9(4) . . . . ?
N00I C01J C01V C01L 0.9(8) . . . . ?
C00J C00Q C011 C01H 0.5(6) . . . . ?
C00J C00T C013 C01H 0.1(6) . . . . ?
N00K C01E C01X C021 -1.2(8) . . . . ?
N00K C01E C01X C022 178.1(4) . . . . ?
N00K C01U C01Z C021 -1.8(10) . . . . ?
C00L C00O C015 C01K 1.8(6) . . . . ?
C00L C00V C01I C01K 1.0(7) . . . . ?
C00M C00S C01S C023 2.7(8) . . . . ?
C00M C01B C020 C023 1.4(10) . . . . ?
C00N C00T C013 C01H -178.6(4) . . . . ?
C00O C00L C00V C01I -0.2(6) . . . . ?
C00O C015 C01K C01I -1.1(7) . . . . ?
C00P N00E C019 C01O 1.1(6) . . . . ?
C00P C00W C017 C01F 176.5(3) . . . . ?
C00P C00W C017 C01Q -0.8(5) . . . . ?
C00P C00Y C01G C01O 1.4(6) . . . . ?
C00P C00Y C01N C01Q -0.1(6) . . . . ?
C00Q C00J C00T C00N 178.7(3) . . . . ?
C00Q C00J C00T C013 0.0(5) . . . . ?
C00Q C011 C01H C013 -0.5(7) . . . . ?
C00R N00G C012 C016 -1.5(6) . . . . ?
C00R C00U C01C C01L 176.9(4) . . . . ?
C00R C00U C01C C01T -1.0(6) . . . . ?
C00R C010 C018 C016 -1.4(6) . . . . ?
C00R C010 C01R C01T -1.9(7) . . . . ?
C00S C00M C01B C00X 178.7(4) . . . . ?
C00S C00M C01B C020 -0.4(7) . . . . ?
C00S C01S C023 C020 -1.7(12) . . . . ?
C00T C00J C00Q O00A -179.3(3) . . . . ?
C00T C00J C00Q C011 -0.3(6) . . . . ?
C00T C013 C01H C011 0.2(7) . . . . ?
C00U N00I C01J C01V -1.6(6) . . . . ?
C00U C00R C010 C018 -172.8(4) . . . . ?
C00U C00R C010 C01R 3.5(6) . . . . ?
C00U C01C C01L C01V -1.7(7) . . . . ?
C00U C01C C01T C01R 2.6(7) . . . . ?
C00V C00L C00O O009 178.8(3) . . . . ?
C00V C00L C00O C015 -1.2(5) . . . . ?
C00V C01I C01K C015 -0.3(7) . . . . ?
C00W N00H C014 C01D -1.4(5) . . . . ?
C00W C00P C00Y C01G 178.1(3) . . . . ?
C00W C00P C00Y C01N -1.6(5) . . . . ?
C00W C017 C01F C01D -0.3(6) . . . . ?
C00W C017 C01Q C01N -0.9(6) . . . . ?
C00X C01B C020 C023 -177.8(7) . . . . ?
C00Y C00P C00W N00H -179.5(3) . . . . ?
C00Y C00P C00W C017 2.1(5) . . . . ?
C00Y C01G C01O C019 0.5(7) . . . . ?
C00Y C01N C01Q C017 1.4(7) . . . . ?
C00Z N00F C01A C01M 1.0(6) . . . . ?
C00Z C01E C01X C021 177.0(5) . . . . ?
C00Z C01E C01X C022 -3.7(7) . . . . ?
C00Z C01P C01W C01M 0.6(7) . . . . ?
C00Z C01P C01Y C022 -2.1(9) . . . . ?
C010 C00R C00U N00I 174.1(3) . . . . ?
C010 C00R C00U C01C -2.1(6) . . . . ?
C010 C01R C01T C01C -1.1(8) . . . . ?
C012 N00G C00R C00U 174.4(3) . . . . ?
C012 N00G C00R C010 -1.3(5) . . . . ?
C012 C016 C018 C010 -1.1(7) . . . . ?
C014 N00H C00W C00P -175.7(3) . . . . ?
C014 N00H C00W C017 2.6(5) . . . . ?
C014 C01D C01F C017 1.4(6) . . . . ?
C018 C010 C01R C01T 174.0(5) . . . . ?
C019 N00E C00P C00W -179.4(3) . . . . ?
C019 N00E C00P C00Y 1.0(5) . . . . ?
C01A N00F C00Z C01E 176.9(4) . . . . ?
C01A N00F C00Z C01P -2.6(6) . . . . ?
C01A C01M C01W C01P -2.1(7) . . . . ?
C01B C00M C00S O00B 178.3(4) . . . . ?
C01B C00M C00S C01S -1.6(7) . . . . ?
C01B C020 C023 C01S -0.3(13) . . . . ?
C01C C01L C01V C01J 0.9(7) . . . . ?
C01E N00K C01U C01Z -0.1(8) . . . . ?
C01E C00Z C01P C01W -177.6(4) . . . . ?
C01E C00Z C01P C01Y 1.7(7) . . . . ?
C01E C01X C021 C01Z -0.7(9) . . . . ?
C01E C01X C022 C01Y 3.3(9) . . . . ?
C01F C017 C01Q C01N -178.0(4) . . . . ?
C01G C00Y C01N C01Q -179.8(4) . . . . ?
C01J N00I C00U C00R -175.4(4) . . . . ?
C01J N00I C00U C01C 0.7(6) . . . . ?
C01L C01C C01T C01R -175.1(5) . . . . ?
C01N C00Y C01G C01O -178.8(4) . . . . ?
C01P C00Z C01E N00K 179.6(4) . . . . ?
C01P C00Z C01E C01X 1.3(7) . . . . ?
C01P C01Y C022 C01X -0.4(10) . . . . ?
C01Q C017 C01F C01D 176.8(4) . . . . ?
C01R C010 C018 C016 -177.4(4) . . . . ?
C01T C01C C01L C01V 176.0(5) . . . . ?
C01U N00K C01E C00Z -176.7(4) . . . . ?
C01U N00K C01E C01X 1.6(7) . . . . ?
C01U C01Z C021 C01X 2.1(10) . . . . ?
C01W C01P C01Y C022 177.1(6) . . . . ?
C01Y C01P C01W C01M -178.7(5) . . . . ?
C021 C01X C022 C01Y -177.4(6) . . . . ?
C022 C01X C021 C01Z -179.9(6) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.233 0.286 0.957 44.2 2.2 ?
2 0.167 0.259 0.611 7.2 0.4 ?
3 0.459 0.299 0.781 9.4 0.3 ?
4 0.541 0.701 0.219 9.4 0.3 ?
5 0.767 0.714 0.043 44.2 2.2 ?
6 0.833 0.741 0.389 7.2 0.4 ?

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 3.792
_oxdiff_exptl_absorpt_empirical_full_min 0.549
# start Validation Reply Form
_vrf_THETM01_hy                  
;
PROBLEM: The value of sine(theta_max)/wavelength is less than 0.550
RESPONSE: This is due to the lack of high-angle diffractions, which not 
affect the accuracy of structure.
;
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_AlOC-170(R)
_database_code_depnum_ccdc_archive 'CCDC 2303393'
loop_
_audit_author_name
_audit_author_address
'Fan Yang'
;UCAS
China
;
_audit_update_record             
;
2023-12-08 deposited with the CCDC.	2024-07-17 downloaded from the CCDC.
;
_audit_creation_date             2023-11-03
_audit_creation_method           
;
Olex2 1.5-beta
(compiled 2023.08.24 svn.re1ec1418 for OlexSys, GUI svn.r6817)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'2(C88 H64 Ag P4), 2(C40 H20 Al4 O20), 2(C2 H8 N), 2(C2 H6 O), 2(H2 O), C2 H7 N'
_chemical_formula_sum            'C268 H204 Ag2 Al8 N0.50 O46 P8'
_chemical_formula_weight         4846.64
_chemical_absolute_configuration ad
_chemical_melting_point          ?
_chemical_oxdiff_formula         'Al Ag C H O N P'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0137 0.0067 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag 0.0782 3.3823 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Al Al 0.1771 0.1873 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0389 0.0241 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2543 0.3332 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0241 0.0134 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_H-M_alt        'P 1 21 1'
_space_group_name_Hall           'P 2yb'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z'

_cell_length_a                   22.7099(4)
_cell_length_b                   22.9468(4)
_cell_length_c                   22.7802(4)
_cell_angle_alpha                90
_cell_angle_beta                 93.312(2)
_cell_angle_gamma                90
_cell_volume                     11851.4(4)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    21109
_cell_measurement_temperature    100.0(3)
_cell_measurement_theta_max      42.4060
_cell_measurement_theta_min      2.3800
_shelx_estimated_absorpt_T_max   0.982
_shelx_estimated_absorpt_T_min   0.838
_exptl_absorpt_coefficient_mu    1.833
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.63590
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.115a (Rigaku Oxford Diffraction, 2021)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear whiteish white'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   whiteish
_exptl_crystal_colour_primary    white
_exptl_crystal_density_diffrn    1.358
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             5003
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.01
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0733
_diffrn_reflns_av_unetI/netI     0.0846
_diffrn_reflns_Laue_measured_fraction_full 0.970
_diffrn_reflns_Laue_measured_fraction_max 0.970
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            46572
_diffrn_reflns_point_group_measured_fraction_full 0.721
_diffrn_reflns_point_group_measured_fraction_max 0.721
_diffrn_reflns_theta_full        42.519
_diffrn_reflns_theta_max         42.519
_diffrn_reflns_theta_min         2.322
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.0(3)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.970
_diffrn_measured_fraction_theta_max 0.970
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -99.00 -45.00   0.50    0.10    --   -0.70 179.00-180.00  108
  2  ω    -23.00  23.00   0.50    0.40    --  -52.37  23.00  68.00   92
  3  ω      2.00  81.00   0.50    0.10    --   -0.70  23.00  68.00  158
  4  ω   -145.00 -57.00   0.50    0.40    --  -52.37 -23.00 -96.00  176
  5  ω   -135.00 -83.00   0.50    0.40    --  -52.37-125.00  30.00  104
  6  ω    -59.00  20.00   0.50    0.10    --   -0.70 -57.00-120.00  158
  7  ω    -16.00   9.00   0.50    0.10    --   -0.70 -23.00 -96.00   50
  8  ω    -42.00  74.00   0.50    0.40    --   50.96 -23.00 -96.00  232
  9  ω     20.00 107.00   0.50    0.40    --   50.96-125.00 -90.00  174
 10  ω     29.00  99.00   0.50    0.40    --   50.96-125.00 -60.00  140
 11  ω     78.00 121.00   0.50    0.40    --   50.96 125.00  30.00   86
 12  ω     78.00 128.00   0.50    0.40    --   50.96 125.00 -30.00  100
 13  ω     78.00 103.00   0.50    0.40    --   50.96 125.00 -60.00   50
 14  ω     95.00 126.00   0.50    0.40    --   50.96 125.00-180.00   62
 15  ω     88.00 131.00   0.50    0.40    --   50.96 125.00 -90.00   86
 16  ω     51.00  76.00   0.50    0.40    --   50.96  23.00  68.00   50
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'ROD, Synergy Custom system, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0562393000
_diffrn_orient_matrix_UB_12      0.0170184000
_diffrn_orient_matrix_UB_13      0.0089760000
_diffrn_orient_matrix_UB_21      -0.0047281000
_diffrn_orient_matrix_UB_22      -0.0041284000
_diffrn_orient_matrix_UB_23      0.0581712000
_diffrn_orient_matrix_UB_31      0.0175593000
_diffrn_orient_matrix_UB_32      -0.0556324000
_diffrn_orient_matrix_UB_33      -0.0016669000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           GaKa
_diffrn_radiation_wavelength     1.3405
_diffrn_source                   'micro-focus metaljet'
_reflns_Friedel_coverage         0.441
_reflns_Friedel_fraction_full    0.456
_reflns_Friedel_fraction_max     0.456
_reflns_number_gt                15210
_reflns_number_total             18350
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.41.115a (Rigaku OD, 2021)'
_computing_data_collection       'CrysAlisPro 1.171.41.115a (Rigaku OD, 2021)'
_computing_data_reduction        'CrysAlisPro 1.171.41.115a (Rigaku OD, 2021)'
_computing_molecular_graphics    'Olex2 1.5-beta (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5-beta (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         1.864
_refine_diff_density_min         -1.122
_refine_diff_density_rms         0.117
_refine_ls_abs_structure_details 
;
 Flack x determined using 3952 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.022(8)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2996
_refine_ls_number_reflns         18350
_refine_ls_number_restraints     14
_refine_ls_R_factor_all          0.0940
_refine_ls_R_factor_gt           0.0771
_refine_ls_restrained_S_all      1.023
_refine_ls_shift/su_max          0.032
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1809P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2044
_refine_ls_wR_factor_ref         0.2193
_refine_special_details          ?
_olex2_refinement_description    
;
1. Restrained distances
 H0AA_$1-H1D
 2.1 with sigma of 0.02
2. Uiso/Uaniso restraints and constraints
Uanis(C03U) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
Uanis(O1) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
3.a Riding coordinates:
 N0AA(H0AA)
3.b Free rotating group:
 O1(H1C,H1D), O0AA(H0AB,H0AC)
3.c Secondary CH2 refined with riding coordinates:
 N024(H02B,H02E), C02M(H02G,H02H), C06S(H06D,H06J), N1(H1A,H1B)
3.d Aromatic/amide H refined with riding coordinates:
 C01P(H01P), C01W(H01W), C01X(H01X), C028(H028), C029(H029), C02A(H02A),
 C02C(H02C), C02D(H02D), C02F(H02F), C02K(H02K), C02L(H02L), C02Q(H02Q),
 C02S(H02S), C02T(H02T), C02U(H02U), C02V(H02V), C02W(H02W), C02X(H02X),
 C02Y(H02Y), C031(H031), C032(H032), C035(H035), C036(H036), C039(H039),
 C03A(H03A), C03C(H03C), C03F(H03F), C03G(H03G), C03H(H03H), C03I(H03I),
 C03J(H03J), C03K(H03K), C03L(H03L), C03M(H03M), C03N(H03N), C03Q(H03Q),
 C03R(H03R), C03S(H03S), C03W(H03W), C03X(H03X), C03Y(H03Y), C040(H040),
 C042(H042), C044(H044), C045(H045), C046(H046), C048(H048), C04B(H04B),
 C04C(H04C), C04D(H04D), C04F(H04F), C04G(H04G), C04H(H04H), C04I(H04I),
 C04J(H04J), C04K(H04K), C04L(H04L), C04N(H04N), C04O(H04O), C04P(H04P),
 C04Q(H04Q), C04R(H04R), C04S(H04S), C04T(H04T), C04U(H04U), C04W(H04W),
 C04X(H04X), C04Y(H04Y), C051(H051), C052(H052), C053(H053), C054(H054),
 C055(H055), C056(H056), C057(H057), C058(H058), C059(H059), C05D(H05D),
 C05G(H05G), C05I(H05I), C05J(H05J), C05L(H05L), C05M(H05M), C05N(H05N),
 C05O(H05O), C05Q(H05Q), C05S(H05S), C05T(H05T), C05V(H05V), C05W(H05W),
 C05X(H05X), C05Y(H05Y), C060(H060), C063(H063), C064(H064), C065(H065),
 C066(H066), C067(H067), C068(H068), C06E(H06E), C06F(H06F), C06G(H06G),
 C06H(H06H), C06I(H06I), C06K(H06K), C06L(H06L), C06O(H06O), C06P(H06P),
 C06Q(H06Q), C06U(H06U), C06W(H06W), C06X(H06X), C06Y(H06Y), C070(H070),
 C071(H071), C072(H072), C073(H073), C076(H076), C07B(H07B), C07C(H07C),
 C07D(H07D), C07E(H07E), C07F(H07F), C07G(H07G), C07H(H07H), C07I(H07I),
 C07J(H07J), C07K(H07K), C07O(H07O), C07P(H07P), C07R(H07R), C07S(H07S),
 C07T(H07T), C07U(H07U), C07V(H07V), C07W(H07W), C07X(H07X), C07Y(H07Y),
 C07Z(H07Z), C081(H081), C084(H084), C085(H085), C087(H087), C088(H088),
 C089(H089), C08A(H08A), C08B(H08B), C08C(H08C), C08D(H08D), C08F(H08F),
 C08H(H08H), C08I(H08I), C08J(H08J), C08M(H08M), C08N(H08N), C08O(H08O),
 C08P(H08P), C08R(H08R), C08T(H08T), C08U(H08U), C08V(H08V), C08W(H08W),
 C08X(H08X), C090(H090), C092(H092), C096(H096), C098(H098), C099(H099)
3.e Idealised Me refined as rotating group:
 C06N(H06A,H06B,H06C), C086(H08E,H08G,H08K), C08S(H08L,H08Q,H08S), C095(H09A,
 H09B,H09C), C3(H3A,H3B,H3C), C9(H9A,H9B,H9C), C4(H4A,H4B,H4C), C6(H6A,H6B,H6C)
3.f Idealised tetrahedral OH refined as rotating group:
 O07Q(H07Q), O08Y(H08Y)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag01 Ag 0.46858(5) 0.26413(5) 0.37406(5) 0.0358(3) Uani 1 1 d . . . . .
Ag02 Ag 0.51594(5) 0.76640(6) 0.12349(5) 0.0379(4) Uani 1 1 d . . . . .
P003 P 0.5634(2) 0.7759(2) 0.22576(18) 0.0364(11) Uani 1 1 d . . . . .
P004 P 0.4436(2) 0.36554(19) 0.40832(19) 0.0345(11) Uani 1 1 d . . . . .
P005 P 0.59199(19) 0.6860(2) 0.09727(19) 0.0333(11) Uani 1 1 d . . . . .
P006 P 0.4986(2) 0.8589(2) 0.0582(2) 0.0384(12) Uani 1 1 d . . . . .
P007 P 0.37641(18) 0.2638(2) 0.30608(17) 0.0349(10) Uani 1 1 d . . . . .
P008 P 0.4801(2) 0.1836(2) 0.44943(19) 0.0365(12) Uani 1 1 d . . . . .
P009 P 0.5690(2) 0.2399(2) 0.3350(2) 0.0386(12) Uani 1 1 d . . . . .
P00A P 0.4065(2) 0.7454(2) 0.1116(2) 0.0398(12) Uani 1 1 d . . . . .
Al0B Al 0.9943(2) 0.3797(2) 1.0477(2) 0.0362(13) Uani 1 1 d . . . . .
Al0C Al 1.0587(2) 0.3261(2) 0.9261(2) 0.0353(13) Uani 1 1 d . . . . .
Al0D Al 0.9875(2) 0.4533(2) 0.9431(2) 0.0381(13) Uani 1 1 d . . . . .
Al0E Al 0.9941(2) 0.6403(2) 0.4404(2) 0.0391(14) Uani 1 1 d . . . . .
Al0F Al 1.0130(3) 0.7185(3) 0.5417(2) 0.0498(16) Uani 1 1 d . . . . .
Al0G Al 0.9299(3) 0.5128(3) 1.0635(3) 0.0481(15) Uani 1 1 d . . . . .
Al0H Al 1.0807(2) 0.7598(3) 0.4197(3) 0.0501(14) Uani 1 1 d . . . . .
Al0I Al 0.9243(3) 0.6020(3) 0.5641(3) 0.0583(18) Uani 1 1 d . . . . .
O00J O 0.9586(5) 0.3833(5) 0.9705(5) 0.033(3) Uani 1 1 d . . . . .
O00K O 1.0554(5) 0.3395(5) 1.0121(5) 0.033(3) Uani 1 1 d . . . . .
O00L O 0.9504(5) 0.6465(5) 0.3701(5) 0.036(3) Uani 1 1 d . . . . .
O00M O 1.0247(5) 0.4505(5) 1.0181(5) 0.038(3) Uani 1 1 d . . . . .
O00N O 1.1258(5) 0.2871(5) 0.9487(5) 0.036(3) Uani 1 1 d . . . . .
O00O O 1.0477(5) 0.4062(5) 0.9116(5) 0.040(3) Uani 1 1 d . . . . .
O00P O 0.9399(6) 0.4517(5) 0.8742(5) 0.044(3) Uani 1 1 d . . . . .
O00Q O 1.0602(5) 0.6781(5) 0.4090(5) 0.040(3) Uani 1 1 d . . . . .
O00R O 0.9966(5) 0.2812(5) 0.9199(5) 0.039(3) Uani 1 1 d . . . . .
O00S O 0.9551(5) 0.3124(5) 1.0676(5) 0.039(3) Uani 1 1 d . . . . .
O00T O 0.9334(5) 0.4288(5) 1.0736(5) 0.038(3) Uani 1 1 d . . . . .
O00U O 0.9287(5) 0.6106(5) 0.4800(5) 0.044(3) Uani 1 1 d . . . . .
O00V O 0.8986(5) 0.2539(6) 1.1150(5) 0.048(3) Uani 1 1 d . . . . .
O00W O 0.9763(5) 0.7159(5) 0.4664(5) 0.040(3) Uani 1 1 d . . . . .
O00X O 0.9295(5) 0.4977(5) 0.9805(5) 0.041(3) Uani 1 1 d . . . . .
O00Y O 1.0209(5) 0.5675(5) 0.4229(5) 0.041(3) Uani 1 1 d . . . . .
O00Z O 0.9979(5) 0.5362(5) 1.0943(6) 0.044(3) Uani 1 1 d . . . . .
O010 O 0.9864(6) 0.7918(5) 0.5581(5) 0.048(3) Uani 1 1 d . . . . .
O011 O 1.0270(5) 0.5202(5) 0.9224(5) 0.039(3) Uani 1 1 d . . . . .
O012 O 1.1060(5) 0.3793(6) 1.1907(6) 0.049(3) Uani 1 1 d . . . . .
O013 O 1.0795(5) 0.3233(5) 0.8496(5) 0.043(3) Uani 1 1 d . . . . .
O014 O 1.0359(6) 0.3843(5) 1.1189(5) 0.043(3) Uani 1 1 d . . . . .
O015 O 0.9550(6) 0.8624(6) 0.6137(6) 0.056(4) Uani 1 1 d . . . . .
O016 O 1.0790(5) 0.7493(5) 0.5037(6) 0.050(3) Uani 1 1 d . . . . .
O017 O 1.0309(6) 0.6423(5) 0.5167(5) 0.046(3) Uani 1 1 d . . . . .
O018 O 1.0196(5) 0.8003(5) 0.3953(6) 0.047(3) Uani 1 1 d . . . . .
O019 O 0.8807(6) 0.5108(7) 1.1229(7) 0.069(4) Uani 1 1 d . . . . .
O01A O 0.8994(5) 0.6075(5) 0.2947(6) 0.047(3) Uani 1 1 d . . . . .
O01B O 1.0548(8) 0.7100(7) 0.6109(6) 0.065(4) Uani 1 1 d . . . . .
O01C O 0.9452(7) 0.6832(6) 0.5731(5) 0.059(4) Uani 1 1 d . . . . .
O01D O 1.1340(6) 0.8166(6) 0.4420(8) 0.059(4) Uani 1 1 d . . . . .
O01E O 0.8966(6) 0.5830(6) 1.0401(7) 0.065(4) Uani 1 1 d . . . . .
O01F O 0.9831(8) 0.5572(6) 0.5834(6) 0.064(4) Uani 1 1 d . . . . .
O01G O 1.0608(6) 0.5809(6) 0.8574(7) 0.066(4) Uani 1 1 d . . . . .
O01H O 1.0548(6) 0.5001(6) 0.3662(5) 0.051(3) Uani 1 1 d . . . . .
O01I O 0.8610(7) 0.5572(7) 0.5448(7) 0.074(5) Uani 1 1 d . . . . .
C01J C 0.6323(8) 0.8168(7) 0.2299(7) 0.033(4) Uani 1 1 d . . . . .
C01L C 0.5700(8) 0.1166(7) 0.4011(7) 0.030(4) Uani 1 1 d . . . . .
C01M C 1.0706(8) 0.4820(7) 1.0416(7) 0.032(4) Uani 1 1 d . . . . .
O01N O 0.8883(8) 0.4888(7) 0.7995(8) 0.083(5) Uani 1 1 d . . . . .
C01O C 0.5112(8) 0.1192(7) 0.4132(7) 0.032(4) Uani 1 1 d . . . . .
C01P C 0.7576(8) 0.7483(7) 0.1378(8) 0.037(4) Uani 1 1 d . . . . .
H01P H 0.785492 0.770027 0.117291 0.044 Uiso 1 1 calc R U . . .
C01Q C 0.6299(7) 0.6091(8) 0.2598(7) 0.035(5) Uani 1 1 d . . . . .
C01R C 0.3337(7) 0.4337(7) 0.2730(7) 0.033(4) Uani 1 1 d . . . . .
C01S C 0.9356(8) 0.2938(8) 0.9194(8) 0.038(5) Uani 1 1 d . . . . .
C01T C 0.6156(7) 0.1592(7) 0.4209(7) 0.032(4) Uani 1 1 d . . . . .
O01U O 1.1230(7) 0.7481(6) 0.3564(7) 0.081(5) Uani 1 1 d . . . . .
C01V C 0.3720(8) 0.4708(8) 0.2452(7) 0.038(5) Uani 1 1 d . . . . .
C01W C 0.4301(7) 0.4777(7) 0.2672(7) 0.033(4) Uani 1 1 d . . . . .
H01W H 0.456648 0.502232 0.247997 0.040 Uiso 1 1 calc R U . . .
C01X C 0.2781(7) 0.2610(8) 0.3725(6) 0.037(4) Uani 1 1 d . . . . .
H01X H 0.283218 0.220060 0.369049 0.045 Uiso 1 1 calc R U . . .
O01Y O 0.8907(9) 0.6145(6) 0.6355(6) 0.088(6) Uani 1 1 d . . . . .
C020 C 0.7703(8) 0.7336(7) 0.1974(7) 0.033(4) Uani 1 1 d . . . . .
C021 C 1.1075(8) 0.3210(7) 1.0404(7) 0.036(4) Uani 1 1 d . . . . .
C022 C 0.4493(8) 0.8347(8) -0.0037(7) 0.039(5) Uani 1 1 d . . . . .
C023 C 0.5881(8) 0.0663(9) 0.3680(8) 0.043(5) Uani 1 1 d . . . . .
N024 N 1.0290(7) 0.4272(7) 1.2619(6) 0.047(4) Uani 1 1 d . . . . .
H02B H 1.059963 0.412534 1.242919 0.056 Uiso 1 1 calc R U . . .
H02E H 1.042191 0.435359 1.299457 0.056 Uiso 1 1 calc R U . . .
C025 C 0.3846(8) 0.3026(7) 0.2380(7) 0.034(4) Uani 1 1 d . . . . .
C026 C 0.3171(8) 0.3002(8) 0.3441(8) 0.041(5) Uani 1 1 d . . . . .
C027 C 0.9193(9) 0.3442(9) 0.9461(8) 0.049(5) Uani 1 1 d . . . . .
C028 C 0.7062(8) 0.7318(8) 0.1093(8) 0.038(5) Uani 1 1 d . . . . .
H028 H 0.699738 0.740623 0.068748 0.046 Uiso 1 1 calc R U . . .
C029 C 0.5722(7) 0.9426(8) 0.0068(7) 0.036(4) Uani 1 1 d . . . . .
H029 H 0.539292 0.968247 0.004505 0.044 Uiso 1 1 calc R U . . .
C02A C 0.6778(7) 0.5722(7) 0.2475(7) 0.029(4) Uani 1 1 d . . . . .
H02A H 0.703896 0.584624 0.218850 0.035 Uiso 1 1 calc R U . . .
C02B C 1.1446(7) 0.2919(7) 1.0052(7) 0.032(4) Uani 1 1 d . . . . .
C02C C 0.2334(8) 0.2824(9) 0.4047(8) 0.048(6) Uani 1 1 d . . . . .
H02C H 0.207543 0.256413 0.422996 0.058 Uiso 1 1 calc R U . . .
C02D C 0.3672(7) 0.4229(8) 0.4837(7) 0.039(5) Uani 1 1 d . . . . .
H02D H 0.376343 0.457703 0.463511 0.047 Uiso 1 1 calc R U . . .
C02E C 0.5218(7) 0.8124(7) 0.2805(7) 0.029(4) Uani 1 1 d . . . . .
C02F C 0.5815(10) 0.3480(8) 0.2825(8) 0.048(5) Uani 1 1 d . . . . .
H02F H 0.543815 0.356004 0.296596 0.058 Uiso 1 1 calc R U . . .
C02G C 0.5785(8) 0.6092(8) 0.1123(7) 0.039(5) Uani 1 1 d . . . . .
C02I C 1.1229(7) 0.3335(8) 1.0995(7) 0.037(5) Uani 1 1 d . . . . .
C02J C 0.3121(7) 0.3575(7) 0.3502(7) 0.032(4) Uani 1 1 d . . . . .
C02K C 1.1274(9) 0.4732(8) 1.0298(8) 0.045(5) Uani 1 1 d . . . . .
H02K H 1.137586 0.443413 1.003209 0.054 Uiso 1 1 calc R U . . .
C02L C 0.8976(8) 0.2520(9) 0.8959(8) 0.048(5) Uani 1 1 d . . . . .
H02L H 0.911452 0.216474 0.880430 0.057 Uiso 1 1 calc R U . . .
C02M C 1.0136(7) 0.9428(8) 0.5507(7) 0.030(4) Uani 1 1 d . . . . .
H02G H 1.000785 0.984065 0.550855 0.037 Uiso 1 1 calc R U . . .
H02H H 0.983405 0.919407 0.569647 0.037 Uiso 1 1 calc R U . . .
C02N C 0.5068(7) 0.4077(8) 0.4358(7) 0.035(5) Uani 1 1 d . . . . .
C02O C 0.6095(8) 0.2980(8) 0.2981(8) 0.043(5) Uani 1 1 d . . . . .
C02P C 0.5903(8) 0.5876(8) 0.3015(7) 0.039(5) Uani 1 1 d . . . . .
C02Q C 1.0989(10) 0.5575(9) 1.1091(9) 0.059(6) Uani 1 1 d . . . . .
H02Q H 1.089332 0.585866 1.137359 0.071 Uiso 1 1 calc R U . . .
C02R C 0.5485(8) 0.0224(7) 0.3460(7) 0.036(5) Uani 1 1 d . . . . .
C02S C 0.5606(7) 0.3831(9) 0.4377(8) 0.045(5) Uani 1 1 d . . . . .
H02S H 0.564289 0.344999 0.421931 0.054 Uiso 1 1 calc R U . . .
C02T C 0.4296(8) 0.6755(8) 0.0181(7) 0.039(5) Uani 1 1 d . . . . .
H02T H 0.469219 0.687510 0.026392 0.047 Uiso 1 1 calc R U . . .
C02U C 0.8243(7) 0.7459(7) 0.2275(8) 0.036(4) Uani 1 1 d . . . . .
H02U H 0.854943 0.762910 0.206507 0.043 Uiso 1 1 calc R U . . .
C02V C 0.3459(8) 0.3480(7) 0.1473(7) 0.038(4) Uani 1 1 d . . . . .
H02V H 0.314163 0.355139 0.119208 0.045 Uiso 1 1 calc R U . . .
C02W C 0.3392(8) 0.8339(8) 0.1585(8) 0.041(5) Uani 1 1 d . . . . .
H02W H 0.343032 0.811826 0.193838 0.049 Uiso 1 1 calc R U . . .
C02X C 0.5532(9) 0.4896(8) 0.1208(7) 0.045(5) Uani 1 1 d . . . . .
H02X H 0.545604 0.448946 0.122606 0.054 Uiso 1 1 calc R U . . .
C02Y C 0.7255(9) 0.8490(8) 0.2770(9) 0.051(5) Uani 1 1 d . . . . .
H02Y H 0.754901 0.846756 0.308310 0.061 Uiso 1 1 calc R U . . .
C02Z C 0.3905(8) 0.3697(8) 0.4670(7) 0.037(5) Uani 1 1 d . . . . .
C030 C 0.5791(8) 0.7025(8) 0.2550(8) 0.040(5) Uani 1 1 d . . . . .
C031 C 0.4676(8) 0.8349(8) 0.2658(8) 0.042(5) Uani 1 1 d . . . . .
H031 H 0.451222 0.827819 0.227163 0.050 Uiso 1 1 calc R U . . .
C032 C 0.5379(9) 0.6796(8) 0.2949(7) 0.043(5) Uani 1 1 d . . . . .
H032 H 0.506312 0.703326 0.306399 0.051 Uiso 1 1 calc R U . . .
C033 C 1.0544(10) 0.5266(8) 1.0836(8) 0.049(5) Uani 1 1 d . . . . .
C034 C 0.3552(9) 0.7993(8) -0.0458(8) 0.044(5) Uani 1 1 d . . . . .
C035 C 0.2535(7) 0.4418(8) 0.3861(8) 0.036(4) Uani 1 1 d . . . . .
H035 H 0.278971 0.468555 0.368273 0.044 Uiso 1 1 calc R U . . .
C036 C 0.5915(9) 0.7099(8) -0.0808(7) 0.041(5) Uani 1 1 d . . . . .
H036 H 0.565940 0.728717 -0.109395 0.049 Uiso 1 1 calc R U . . .
C037 C 0.3872(8) 0.6974(8) 0.0499(8) 0.046(5) Uani 1 1 d . . . . .
C038 C 1.0905(8) 0.6506(9) 0.3657(8) 0.048(5) Uani 1 1 d . . . . .
C039 C 0.3109(7) 0.9295(8) -0.0003(9) 0.046(5) Uani 1 1 d . . . . .
H039 H 0.327490 0.916807 -0.035450 0.055 Uiso 1 1 calc R U . . .
C03A C 0.6746(9) 0.9262(10) -0.0080(8) 0.054(6) Uani 1 1 d . . . . .
H03A H 0.711407 0.940515 -0.019649 0.065 Uiso 1 1 calc R U . . .
C03B C 0.3879(8) 0.8259(7) 0.0004(8) 0.038(5) Uani 1 1 d . . . . .
C03C C 0.5811(8) 0.7113(7) -0.0215(8) 0.041(5) Uani 1 1 d . . . . .
H03C H 0.549262 0.734442 -0.009539 0.049 Uiso 1 1 calc R U . . .
C03D C 0.5645(8) 0.8861(8) 0.0267(7) 0.039(5) Uani 1 1 d . . . . .
C03E C 0.9113(8) 0.6132(7) 0.3492(8) 0.032(4) Uani 1 1 d . . . . .
C03F C 0.2552(8) 0.4561(8) 0.1989(8) 0.042(5) Uani 1 1 d . . . . .
H03F H 0.215767 0.451726 0.183129 0.050 Uiso 1 1 calc R U . . .
C03G C 1.1074(8) 0.3850(8) 0.7689(8) 0.043(5) Uani 1 1 d . . . . .
H03G H 1.117788 0.353400 0.744580 0.052 Uiso 1 1 calc R U . . .
C03H C 0.4024(9) 0.3680(8) 0.1374(8) 0.044(5) Uani 1 1 d . . . . .
H03H H 0.408794 0.390633 0.103436 0.053 Uiso 1 1 calc R U . . .
C03I C 0.6152(8) 0.8510(9) 0.0287(7) 0.040(5) Uani 1 1 d . . . . .
H03I H 0.611833 0.812393 0.043222 0.048 Uiso 1 1 calc R U . . .
C03J C 0.3365(8) 0.3187(8) 0.1970(8) 0.040(5) Uani 1 1 d . . . . .
H03J H 0.297365 0.308292 0.205314 0.048 Uiso 1 1 calc R U . . .
C03K C 0.6628(8) 0.2543(7) 0.4176(7) 0.038(5) Uani 1 1 d . . . . .
H03K H 0.664766 0.291978 0.400562 0.045 Uiso 1 1 calc R U . . .
C03L C 1.2159(7) 0.2813(7) 1.0862(8) 0.039(5) Uani 1 1 d . . . . .
H03L H 1.252371 0.266353 1.102268 0.047 Uiso 1 1 calc R U . . .
C03M C 0.6683(9) 0.2877(9) 0.2832(8) 0.051(5) Uani 1 1 d . . . . .
H03M H 0.690499 0.254681 0.296556 0.061 Uiso 1 1 calc R U . . .
C03N C 0.4347(9) 0.8672(9) 0.3031(8) 0.048(5) Uani 1 1 d . . . . .
H03N H 0.397822 0.883281 0.289521 0.058 Uiso 1 1 calc R U . . .
C03O C 0.2982(7) 0.9190(8) 0.1061(8) 0.043(5) Uani 1 1 d . . . . .
C03P C 0.9085(9) 0.4917(9) 0.8529(9) 0.049(5) Uani 1 1 d . . . . .
C03Q C 0.2735(7) 0.4267(8) 0.2482(8) 0.037(4) Uani 1 1 d . . . . .
H03Q H 0.247077 0.401433 0.266741 0.044 Uiso 1 1 calc R U . . .
C03R C 0.6777(8) 0.6497(8) -0.0550(8) 0.043(5) Uani 1 1 d . . . . .
H03R H 0.710797 0.628175 -0.066573 0.052 Uiso 1 1 calc R U . . .
C03S C 1.1998(7) 0.2725(7) 1.0274(7) 0.033(4) Uani 1 1 d . . . . .
H03S H 1.225891 0.253582 1.002499 0.039 Uiso 1 1 calc R U . . .
C03T C 0.9601(9) 0.8004(8) 0.4034(7) 0.040(5) Uani 1 1 d . . . . .
C03U C 0.6129(7) 0.6823(7) 0.0199(7) 0.024(4) Uani 1 1 d . U . . .
C03V C 0.3576(7) 0.8448(8) 0.0553(8) 0.039(5) Uani 1 1 d . . . . .
C03W C 0.6229(9) 0.5693(9) 0.1141(8) 0.049(5) Uani 1 1 d . . . . .
H03W H 0.662755 0.581275 0.111813 0.059 Uiso 1 1 calc R U . . .
C03X C 0.4480(8) 0.4479(7) 0.3175(7) 0.038(5) Uani 1 1 d . . . . .
H03X H 0.487485 0.452966 0.332810 0.046 Uiso 1 1 calc R U . . .
C03Y C 1.1714(9) 0.5085(9) 1.0572(8) 0.047(5) Uani 1 1 d . . . . .
H03Y H 1.211207 0.502890 1.047837 0.057 Uiso 1 1 calc R U . . .
C03Z C 0.3648(7) 0.8113(7) 0.1055(7) 0.034(4) Uani 1 1 d . . . . .
C040 C 0.4480(8) 0.3553(7) 0.1755(8) 0.035(4) Uani 1 1 d . . . . .
H040 H 0.486346 0.369003 0.168004 0.042 Uiso 1 1 calc R U . . .
C041 C 0.3536(7) 0.4012(8) 0.3236(8) 0.040(5) Uani 1 1 d . . . . .
C042 C 0.2741(10) 0.1323(11) 0.2294(8) 0.063(7) Uani 1 1 d . . . . .
H042 H 0.236444 0.127048 0.209631 0.076 Uiso 1 1 calc R U . . .
C043 C 0.6231(7) 0.6667(8) 0.2365(7) 0.032(4) Uani 1 1 d . . . . .
C044 C 0.8174(9) 0.3145(8) 0.9209(9) 0.050(5) Uani 1 1 d . . . . .
H044 H 0.776276 0.321757 0.921321 0.060 Uiso 1 1 calc R U . . .
C045 C 0.1707(8) 0.4241(8) 0.4471(9) 0.049(5) Uani 1 1 d . . . . .
H045 H 0.140759 0.439001 0.470431 0.058 Uiso 1 1 calc R U . . .
C046 C 0.3770(8) 0.3177(8) 0.4949(8) 0.041(5) Uani 1 1 d . . . . .
H046 H 0.392981 0.281499 0.483486 0.049 Uiso 1 1 calc R U . . .
C047 C 0.9151(9) 0.3042(9) 1.1053(9) 0.048(5) Uani 1 1 d . . . . .
C048 C 0.2925(7) 0.7934(8) -0.0450(8) 0.042(5) Uani 1 1 d . . . . .
H048 H 0.271952 0.810007 -0.013877 0.050 Uiso 1 1 calc R U . . .
C049 C 0.4106(8) 0.4098(8) 0.3480(8) 0.040(5) Uani 1 1 d . . . . .
C04A C 0.6199(7) 0.2128(8) 0.3944(7) 0.034(4) Uani 1 1 d . . . . .
C04B C 0.2079(8) 0.4620(8) 0.4152(8) 0.048(5) Uani 1 1 d . . . . .
H04B H 0.199896 0.502619 0.414615 0.057 Uiso 1 1 calc R U . . .
C04C C 0.8220(9) 0.5498(8) 0.3673(8) 0.049(5) Uani 1 1 d . . . . .
H04C H 0.812279 0.549663 0.326141 0.059 Uiso 1 1 calc R U . . .
C04D C 0.6885(8) 0.5192(8) 0.2748(8) 0.042(5) Uani 1 1 d . . . . .
H04D H 0.721537 0.495997 0.266172 0.051 Uiso 1 1 calc R U . . .
C04E C 0.4675(7) 0.9271(7) 0.0857(7) 0.032(4) Uani 1 1 d . . . . .
C04F C 0.8570(8) 0.3543(9) 0.9454(8) 0.045(5) Uani 1 1 d . . . . .
H04F H 0.842686 0.389082 0.962087 0.054 Uiso 1 1 calc R U . . .
C04G C 0.6698(9) 0.8686(9) 0.0108(8) 0.047(5) Uani 1 1 d . . . . .
H04G H 0.702477 0.842718 0.011425 0.057 Uiso 1 1 calc R U . . .
C04H C 0.5680(10) -0.0244(8) 0.3132(8) 0.049(5) Uani 1 1 d . . . . .
H04H H 0.540482 -0.052040 0.297008 0.059 Uiso 1 1 calc R U . . .
C04I C 0.5421(8) 0.8204(8) 0.3387(7) 0.040(5) Uani 1 1 d . . . . .
H04I H 0.577738 0.801873 0.352238 0.049 Uiso 1 1 calc R U . . .
C04J C 0.4231(8) 1.0287(9) 0.1302(8) 0.050(5) Uani 1 1 d . . . . .
H04J H 0.406877 1.063178 0.145674 0.060 Uiso 1 1 calc R U . . .
C04K C 0.4521(10) 0.9896(9) 0.1672(9) 0.059(6) Uani 1 1 d . . . . .
H04K H 0.458754 0.997987 0.207913 0.071 Uiso 1 1 calc R U . . .
C04L C 0.6515(8) 0.0563(8) 0.3603(8) 0.042(5) Uani 1 1 d . . . . .
H04L H 0.680680 0.081827 0.377243 0.051 Uiso 1 1 calc R U . . .
C04M C 0.5301(8) 0.1920(8) 0.5148(7) 0.036(4) Uani 1 1 d . . . . .
C04N C 0.7325(9) 0.8859(9) 0.2287(9) 0.049(5) Uani 1 1 d . . . . .
H04N H 0.766061 0.910727 0.228918 0.059 Uiso 1 1 calc R U . . .
C04O C 0.6418(8) 0.8544(7) 0.1827(8) 0.035(4) Uani 1 1 d . . . . .
H04O H 0.612719 0.857144 0.151146 0.042 Uiso 1 1 calc R U . . .
C04P C 0.8770(8) 0.7559(9) 0.4505(8) 0.046(5) Uani 1 1 d . . . . .
H04P H 0.860599 0.726047 0.473378 0.055 Uiso 1 1 calc R U . . .
C04Q C 0.8345(8) 0.7345(7) 0.2847(8) 0.038(4) Uani 1 1 d . . . . .
H04Q H 0.870741 0.745477 0.304526 0.046 Uiso 1 1 calc R U . . .
C04R C 0.7405(9) 0.6915(7) 0.2897(7) 0.039(5) Uani 1 1 d . . . . .
H04R H 0.712238 0.672550 0.312204 0.047 Uiso 1 1 calc R U . . .
C04S C 0.2629(9) 0.7644(10) -0.0882(9) 0.063(6) Uani 1 1 d . . . . .
H04S H 0.221436 0.760746 -0.086253 0.076 Uiso 1 1 calc R U . . .
C04T C 0.6260(9) 0.9626(8) -0.0097(8) 0.048(5) Uani 1 1 d . . . . .
H04T H 0.629731 1.001783 -0.022323 0.058 Uiso 1 1 calc R U . . .
C04U C 0.3105(7) 0.8847(9) 0.1583(8) 0.043(5) Uani 1 1 d . . . . .
H04U H 0.297601 0.899065 0.194509 0.052 Uiso 1 1 calc R U . . .
C04V C 1.0858(8) 0.3758(8) 0.8249(8) 0.044(5) Uani 1 1 d . . . . .
C04W C 0.6093(10) 0.4659(9) 0.4834(8) 0.054(6) Uani 1 1 d . . . . .
H04W H 0.643662 0.484900 0.499568 0.065 Uiso 1 1 calc R U . . .
C04X C 0.8368(8) 0.2651(11) 0.8962(8) 0.058(5) Uani 1 1 d . . . . .
H04X H 0.808936 0.238576 0.878567 0.070 Uiso 1 1 calc R U . . .
C04Y C 0.3638(11) 0.0915(8) 0.2632(10) 0.057(6) Uani 1 1 d . . . . .
H04Y H 0.389824 0.059212 0.267382 0.069 Uiso 1 1 calc R U . . .
C04Z C 0.6985(8) 0.1859(8) 0.4896(9) 0.049(5) Uani 1 1 d . . . . .
C050 C 0.9227(8) 0.7670(10) 0.6344(8) 0.049(5) Uani 1 1 d . . . . .
C051 C 0.6488(8) 0.5010(8) 0.3157(8) 0.045(5) Uani 1 1 d . . . . .
H051 H 0.655698 0.465108 0.335666 0.054 Uiso 1 1 calc R U . . .
C052 C 0.3307(10) 0.6310(9) 0.2549(9) 0.055(6) Uani 1 1 d . . . . .
H052 H 0.314568 0.605399 0.282504 0.066 Uiso 1 1 calc R U . . .
C053 C 0.6115(9) 0.4105(10) 0.4618(10) 0.063(6) Uani 1 1 d . . . . .
H053 H 0.648060 0.390295 0.463056 0.075 Uiso 1 1 calc R U . . .
C054 C 0.2947(9) 0.4933(8) 0.1709(8) 0.048(5) Uani 1 1 d . . . . .
H054 H 0.281454 0.513632 0.136301 0.057 Uiso 1 1 calc R U . . .
C055 C 0.2890(8) 0.7391(8) -0.1360(8) 0.049(5) Uani 1 1 d . . . . .
H055 H 0.266450 0.718325 -0.165625 0.058 Uiso 1 1 calc R U . . .
C056 C 1.1787(8) 0.3120(7) 1.1222(8) 0.041(5) Uani 1 1 d . . . . .
H056 H 1.190732 0.318535 1.162286 0.049 Uiso 1 1 calc R U . . .
C057 C 0.6245(12) -0.0301(8) 0.3047(8) 0.056(6) Uani 1 1 d . . . . .
H057 H 0.636568 -0.062097 0.281827 0.067 Uiso 1 1 calc R U . . .
C058 C 0.4395(8) 0.9680(8) 0.0478(8) 0.044(5) Uani 1 1 d . . . . .
H058 H 0.435864 0.960975 0.006682 0.052 Uiso 1 1 calc R U . . .
C059 C 0.4890(8) 0.0309(9) 0.3585(8) 0.045(5) Uani 1 1 d . . . . .
H059 H 0.460344 0.003568 0.343789 0.054 Uiso 1 1 calc R U . . .
C05A C 0.6702(7) 0.6915(7) 0.1991(8) 0.035(5) Uani 1 1 d . . . . .
C05B C 0.6600(7) 0.7005(8) 0.1396(9) 0.042(5) Uani 1 1 d . . . . .
C05C C 0.3743(8) 0.7037(8) 0.1705(8) 0.040(5) Uani 1 1 d . . . . .
C05D C 0.8522(8) 0.3449(9) 1.1816(8) 0.050(5) Uani 1 1 d . . . . .
H05D H 0.843463 0.306859 1.194955 0.059 Uiso 1 1 calc R U . . .
C05E C 0.3228(7) 0.8979(8) 0.0528(8) 0.043(5) Uani 1 1 d . . . . .
C05F C 1.0888(8) 0.5942(7) 0.3501(9) 0.043(5) Uani 1 1 d . . . . .
C05G C 0.6160(9) 0.1117(8) 0.2206(8) 0.045(5) Uani 1 1 d . . . . .
H05G H 0.649773 0.089190 0.212879 0.054 Uiso 1 1 calc R U . . .
C05H C 1.0665(11) 0.6011(9) 0.5399(8) 0.054(6) Uani 1 1 d . . . . .
C05I C 0.6735(8) 0.8153(7) 0.2777(9) 0.042(5) Uani 1 1 d . . . . .
H05I H 0.666648 0.791495 0.310764 0.051 Uiso 1 1 calc R U . . .
C05J C 0.1803(9) 0.3679(9) 0.4425(8) 0.052(5) Uani 1 1 d . . . . .
H05J H 0.155052 0.341953 0.461660 0.062 Uiso 1 1 calc R U . . .
C05K C 1.0417(13) 0.5574(8) 0.5766(8) 0.055(6) Uani 1 1 d . . . . .
C05L C 0.4131(8) 0.6709(8) 0.2057(7) 0.038(5) Uani 1 1 d . . . . .
H05L H 0.454292 0.674027 0.201360 0.046 Uiso 1 1 calc R U . . .
C05M C 0.4703(10) 0.0787(8) 0.3922(8) 0.049(6) Uani 1 1 d . . . . .
H05M H 0.429897 0.082782 0.400311 0.059 Uiso 1 1 calc R U . . .
C05N C 0.7903(8) 0.7057(7) 0.3155(8) 0.039(5) Uani 1 1 d . . . . .
H05N H 0.797644 0.696844 0.356015 0.047 Uiso 1 1 calc R U . . .
C05O C 1.1237(9) 0.5745(9) 0.3032(9) 0.056(6) Uani 1 1 d . . . . .
H05O H 1.124873 0.534389 0.293153 0.067 Uiso 1 1 calc R U . . .
C05P C 1.0874(7) 0.3683(8) 1.1403(9) 0.037(4) Uani 1 1 d . . . . .
C05Q C 0.5910(9) 0.2553(10) 0.5758(9) 0.059(6) Uani 1 1 d . . . . .
H05Q H 0.607530 0.292750 0.583589 0.071 Uiso 1 1 calc R U . . .
C05R C 0.9377(9) 0.7563(8) 0.4404(7) 0.045(5) Uani 1 1 d . . . . .
C05S C 0.5441(8) 0.1457(9) 0.5491(8) 0.039(5) Uani 1 1 d . . . . .
H05S H 0.528357 0.108272 0.539503 0.047 Uiso 1 1 calc R U . . .
C05T C 1.1587(8) 0.5514(9) 1.0974(8) 0.048(5) Uani 1 1 d . . . . .
H05T H 1.188505 0.575181 1.115961 0.057 Uiso 1 1 calc R U . . .
C05U C 1.0688(7) 0.4234(8) 0.8584(7) 0.037(5) Uani 1 1 d . . . . .
C05V C 0.3503(9) 0.7459(8) -0.1381(9) 0.052(5) Uani 1 1 d . . . . .
H05V H 0.369800 0.728986 -0.169693 0.062 Uiso 1 1 calc R U . . .
C05W C 0.4171(10) 0.6354(9) -0.0267(10) 0.057(6) Uani 1 1 d . . . . .
H05W H 0.448497 0.618480 -0.046602 0.069 Uiso 1 1 calc R U . . .
C05X C 0.4400(8) 0.3223(7) 0.2258(8) 0.038(5) Uani 1 1 d . . . . .
H05X H 0.472897 0.313431 0.251868 0.046 Uiso 1 1 calc R U . . .
C05Y C 0.5437(7) 0.6257(8) 0.3157(7) 0.039(5) Uani 1 1 d . . . . .
H05Y H 0.515257 0.611868 0.341285 0.047 Uiso 1 1 calc R U . . .
C05Z C 0.8717(9) 0.4584(10) 1.1486(10) 0.062(6) Uani 1 1 d . . . . .
C060 C 0.6922(9) 0.8873(8) 0.1810(9) 0.048(5) Uani 1 1 d . . . . .
H060 H 0.699201 0.910641 0.147654 0.058 Uiso 1 1 calc R U . . .
C061 C 0.8985(9) 0.4095(10) 1.1194(9) 0.056(6) Uani 1 1 d . . . . .
C062 C 0.2636(8) 0.3836(7) 0.3819(7) 0.038(4) Uani 1 1 d . . . . .
C063 C 0.2764(8) 0.9773(8) -0.0013(9) 0.049(5) Uani 1 1 d . . . . .
H063 H 0.267247 0.997642 -0.036984 0.059 Uiso 1 1 calc R U . . .
C064 C 0.6085(9) 0.5095(8) 0.1192(8) 0.045(5) Uani 1 1 d . . . . .
H064 H 0.639843 0.482003 0.121768 0.054 Uiso 1 1 calc R U . . .
C065 C 0.8282(9) 0.3960(13) 1.2081(10) 0.078(8) Uani 1 1 d . . . . .
H065 H 0.803240 0.389988 1.239608 0.093 Uiso 1 1 calc R U . . .
C066 C 0.6643(8) 0.6517(7) 0.0049(7) 0.034(4) Uani 1 1 d . . . . .
H066 H 0.689084 0.633159 0.034344 0.041 Uiso 1 1 calc R U . . .
C067 C 0.3917(9) 0.6329(8) 0.2478(8) 0.048(5) Uani 1 1 d . . . . .
H067 H 0.417961 0.609007 0.271059 0.057 Uiso 1 1 calc R U . . .
C068 C 0.7877(9) 0.5200(9) 0.4042(9) 0.053(5) Uani 1 1 d . . . . .
H068 H 0.754679 0.498896 0.388002 0.064 Uiso 1 1 calc R U . . .
C069 C 0.2260(8) 0.3438(8) 0.4106(8) 0.043(5) Uani 1 1 d . . . . .
C06A C 0.7257(7) 0.7026(7) 0.2293(7) 0.035(4) Uani 1 1 d . . . . .
C06C C 0.5698(8) 0.1842(7) 0.2773(8) 0.035(5) Uani 1 1 d . . . . .
C06D C 0.4094(9) 0.1597(7) 0.4802(9) 0.045(5) Uani 1 1 d . . . . .
C06E C 0.5045(8) 0.4649(9) 0.4577(8) 0.046(5) Uani 1 1 d . . . . .
H06E H 0.467613 0.484565 0.456804 0.055 Uiso 1 1 calc R U . . .
C06F C 0.4715(8) 0.9377(8) 0.1438(8) 0.044(5) Uani 1 1 d . . . . .
H06F H 0.488223 0.908861 0.169614 0.053 Uiso 1 1 calc R U . . .
C06G C 0.3164(8) 0.3729(10) 0.5571(8) 0.052(6) Uani 1 1 d . . . . .
H06G H 0.290299 0.373746 0.588228 0.063 Uiso 1 1 calc R U . . .
C06H C 0.5180(8) 0.1792(8) 0.2394(8) 0.045(5) Uani 1 1 d . . . . .
H06H H 0.484839 0.203162 0.245597 0.055 Uiso 1 1 calc R U . . .
C06I C 0.7395(8) 0.1714(9) 0.5402(8) 0.048(5) Uani 1 1 d . . . . .
H06I H 0.766322 0.199641 0.556365 0.057 Uiso 1 1 calc R U . . .
C06J C 0.3466(9) 0.1941(8) 0.2800(8) 0.044(5) Uani 1 1 d . . . . .
C06K C 1.1259(10) 0.6013(10) 0.5305(9) 0.067(6) Uani 1 1 d . . . . .
H06K H 1.141851 0.630531 0.506502 0.080 Uiso 1 1 calc R U . . .
C06L C 0.7008(9) 0.2396(9) 0.4645(9) 0.051(5) Uani 1 1 d . . . . .
H06L H 0.729056 0.267225 0.479417 0.061 Uiso 1 1 calc R U . . .
C06M C 0.8886(8) 0.3539(8) 1.1361(8) 0.041(5) Uani 1 1 d . . . . .
C06N C 0.9841(10) 0.3833(11) 1.2632(9) 0.070(7) Uani 1 1 d . . . . .
H06A H 0.968691 0.375000 1.222995 0.106 Uiso 1 1 calc R U . . .
H06B H 0.952019 0.397331 1.286485 0.106 Uiso 1 1 calc R U . . .
H06C H 1.000923 0.347723 1.280987 0.106 Uiso 1 1 calc R U . . .
C06O C 1.1127(8) 0.4423(10) 0.7508(9) 0.059(6) Uani 1 1 d . . . . .
H06O H 1.127864 0.449819 0.713552 0.071 Uiso 1 1 calc R U . . .
C06P C 0.3304(9) 0.4243(9) 0.5304(8) 0.048(5) Uani 1 1 d . . . . .
H06P H 0.315178 0.460232 0.543654 0.058 Uiso 1 1 calc R U . . .
C06Q C 0.4742(8) 0.8152(8) -0.0572(9) 0.046(5) Uani 1 1 d . . . . .
H06Q H 0.514571 0.823177 -0.062615 0.056 Uiso 1 1 calc R U . . .
C06R C 0.6554(8) 0.1455(7) 0.4691(8) 0.037(5) Uani 1 1 d . . . . .
C06S C 0.9402(10) 0.1630(8) 1.0549(8) 0.054(6) Uani 1 1 d . . . . .
H06D H 0.936499 0.202427 1.072022 0.065 Uiso 1 1 calc R U . . .
H06J H 0.950403 0.135349 1.087258 0.065 Uiso 1 1 calc R U . . .
C06T C 0.9005(9) 0.5414(8) 0.9489(9) 0.045(5) Uani 1 1 d . . . . .
C06U C 0.4442(7) 0.7874(8) -0.0980(8) 0.035(4) Uani 1 1 d . . . . .
H06U H 0.463484 0.773401 -0.131193 0.042 Uiso 1 1 calc R U . . .
C06V C 1.0525(9) 0.5296(9) 0.8725(10) 0.056(6) Uani 1 1 d . . . . .
C06W C 0.6070(13) 0.3873(10) 0.2465(9) 0.064(7) Uani 1 1 d . . . . .
H06W H 0.585771 0.421455 0.234740 0.077 Uiso 1 1 calc R U . . .
C06X C 0.3616(9) 0.1501(9) 0.4452(10) 0.054(6) Uani 1 1 d . . . . .
H06X H 0.365042 0.151865 0.403853 0.065 Uiso 1 1 calc R U . . .
C06Y C 1.1638(11) 0.5571(11) 0.5571(9) 0.071(7) Uani 1 1 d . . . . .
H06Y H 1.205183 0.557630 0.552790 0.086 Uiso 1 1 calc R U . . .
C06Z C 0.8927(8) 0.5428(8) 0.8880(9) 0.050(5) Uani 1 1 d . . . . .
C070 C 0.6569(8) 0.0914(8) 0.4978(8) 0.042(5) Uani 1 1 d . . . . .
H070 H 0.628168 0.063535 0.484695 0.050 Uiso 1 1 calc R U . . .
C071 C 1.1378(17) 0.5138(10) 0.5890(9) 0.088(10) Uani 1 1 d . . . . .
H071 H 1.161558 0.482507 0.604087 0.105 Uiso 1 1 calc R U . . .
C072 C 0.3384(8) 0.3217(9) 0.5408(7) 0.043(5) Uani 1 1 d . . . . .
H072 H 0.327721 0.287285 0.560678 0.051 Uiso 1 1 calc R U . . .
C073 C 0.3807(9) 0.1445(9) 0.2865(8) 0.052(5) Uani 1 1 d . . . . .
H073 H 0.417704 0.147176 0.308052 0.062 Uiso 1 1 calc R U . . .
C074 C 0.8467(9) 0.5522(9) 0.4872(8) 0.049(5) Uani 1 1 d . . . . .
C075 C 0.8733(8) 0.5817(8) 0.3904(8) 0.041(5) Uani 1 1 d . . . . .
C076 C 0.3519(8) 0.5004(8) 0.1927(8) 0.045(5) Uani 1 1 d . . . . .
H076 H 0.377957 0.525017 0.173000 0.054 Uiso 1 1 calc R U . . .
C077 C 1.0534(9) 0.5495(8) 0.3811(9) 0.044(5) Uani 1 1 d . . . . .
C078 C 0.3841(9) 0.7775(7) -0.0943(7) 0.042(5) Uani 1 1 d . . . . .
C079 C 0.8846(9) 0.5820(8) 0.4496(8) 0.041(5) Uani 1 1 d . . . . .
O07A O 1.1180(12) 0.7337(10) 0.6863(8) 0.136(9) Uani 1 1 d . . . . .
C07B C 0.6421(8) 0.6792(8) -0.0966(8) 0.044(5) Uani 1 1 d . . . . .
H07B H 0.651985 0.678708 -0.136597 0.053 Uiso 1 1 calc R U . . .
C07C C 0.5192(8) 0.5896(9) 0.1145(7) 0.046(5) Uani 1 1 d . . . . .
H07C H 0.487792 0.617082 0.112458 0.055 Uiso 1 1 calc R U . . .
C07D C 0.5523(9) 0.2463(9) 0.5286(9) 0.056(6) Uani 1 1 d . . . . .
H07D H 0.540353 0.278511 0.504568 0.067 Uiso 1 1 calc R U . . .
C07E C 0.4547(8) 0.8753(8) 0.3568(9) 0.049(5) Uani 1 1 d . . . . .
H07E H 0.431104 0.895472 0.383339 0.059 Uiso 1 1 calc R U . . .
C07F C 0.6003(9) 0.5331(8) 0.3281(8) 0.046(5) Uani 1 1 d . . . . .
H07F H 0.573312 0.518364 0.354845 0.055 Uiso 1 1 calc R U . . .
C07G C 0.3070(9) 0.1375(9) 0.4663(10) 0.060(6) Uani 1 1 d . . . . .
H07G H 0.273953 0.129158 0.440083 0.072 Uiso 1 1 calc R U . . .
C07H C 0.5629(11) 0.1042(9) 0.1856(9) 0.063(6) Uani 1 1 d . . . . .
H07H H 0.560411 0.074254 0.156777 0.075 Uiso 1 1 calc R U . . .
C07I C 0.5157(9) 0.1387(8) 0.1926(9) 0.046(5) Uani 1 1 d . . . . .
H07I H 0.481661 0.135875 0.166495 0.056 Uiso 1 1 calc R U . . .
C07J C 0.3119(10) 0.0851(9) 0.2353(9) 0.052(6) Uani 1 1 d . . . . .
H07J H 0.300450 0.048257 0.219288 0.062 Uiso 1 1 calc R U . . .
C07K C 0.2640(7) 0.9688(8) 0.1024(9) 0.041(5) Uani 1 1 d . . . . .
H07K H 0.247549 0.983158 0.136989 0.049 Uiso 1 1 calc R U . . .
C07L C 1.0722(8) 0.4788(7) 0.8394(8) 0.039(5) Uani 1 1 d . . . . .
C07M C 0.9560(9) 0.8097(10) 0.6010(9) 0.050(5) Uani 1 1 d . . . . .
C07N C 1.1239(10) 0.6937(10) 0.3378(12) 0.075(8) Uani 1 1 d . . . . .
C07O C 0.2894(9) 0.1874(9) 0.2516(7) 0.045(5) Uani 1 1 d . . . . .
H07O H 0.262748 0.219261 0.247845 0.054 Uiso 1 1 calc R U . . .
C07P C 0.3147(9) 0.7019(9) 0.1777(10) 0.059(6) Uani 1 1 d . . . . .
H07P H 0.287771 0.724246 0.153503 0.071 Uiso 1 1 calc R U . . .
O07Q O 1.0702(9) 0.9374(11) 0.5853(10) 0.123(7) Uani 1 1 d . . . . .
H07Q H 1.097847 0.947793 0.564682 0.185 Uiso 1 1 calc R U . . .
C07R C 0.6058(10) 0.2073(11) 0.6129(9) 0.063(6) Uani 1 1 d . . . . .
H07R H 0.631767 0.211743 0.646830 0.076 Uiso 1 1 calc R U . . .
C07S C 0.4173(7) 1.0180(7) 0.0705(8) 0.037(5) Uani 1 1 d . . . . .
H07S H 0.397907 1.045589 0.045053 0.045 Uiso 1 1 calc R U . . .
C07T C 0.8936(9) 0.7860(10) 0.6868(10) 0.069(7) Uani 1 1 d . . . . .
H07T H 0.895274 0.825804 0.698297 0.082 Uiso 1 1 calc R U . . .
C07U C 0.7380(9) 0.1165(9) 0.5634(8) 0.053(5) Uani 1 1 d . . . . .
H07U H 0.766089 0.105918 0.594135 0.063 Uiso 1 1 calc R U . . .
C07V C 0.8658(11) 0.7490(10) 0.7175(9) 0.068(7) Uani 1 1 d . . . . .
H07V H 0.847017 0.762438 0.751194 0.082 Uiso 1 1 calc R U . . .
C07W C 0.3275(9) 0.6826(9) 0.0357(9) 0.056(6) Uani 1 1 d . . . . .
H07W H 0.296956 0.698828 0.057266 0.067 Uiso 1 1 calc R U . . .
C07X C 0.7989(8) 0.5195(9) 0.4629(10) 0.058(6) Uani 1 1 d . . . . .
H07X H 0.774958 0.497401 0.487501 0.070 Uiso 1 1 calc R U . . .
C07Y C 0.8418(8) 0.7999(9) 0.4263(9) 0.054(6) Uani 1 1 d . . . . .
H07Y H 0.800804 0.800141 0.432423 0.065 Uiso 1 1 calc R U . . .
C07Z C 0.4047(10) 0.1618(9) 0.5403(8) 0.058(6) Uani 1 1 d . . . . .
H07Z H 0.437475 0.171542 0.566259 0.069 Uiso 1 1 calc R U . . .
C081 C 1.0788(12) 0.5145(10) 0.5997(10) 0.069(7) Uani 1 1 d . . . . .
H081 H 1.063262 0.484924 0.623505 0.083 Uiso 1 1 calc R U . . .
C082 C 0.8901(12) 0.6686(10) 0.6570(9) 0.071(7) Uani 1 1 d . . . . .
C083 C 0.8841(9) 0.5876(9) 0.9830(10) 0.053(6) Uani 1 1 d . . . . .
C084 C 0.5542(10) 0.4933(9) 0.4806(9) 0.059(6) Uani 1 1 d . . . . .
H084 H 0.551023 0.532105 0.494661 0.071 Uiso 1 1 calc R U . . .
C085 C 0.6955(9) 0.0751(8) 0.5425(9) 0.047(5) Uani 1 1 d . . . . .
H085 H 0.693998 0.037277 0.559255 0.056 Uiso 1 1 calc R U . . .
C086 C 1.0096(9) 0.4830(9) 1.2323(9) 0.055(5) Uani 1 1 d . . . . .
H08E H 1.000488 0.475814 1.190387 0.083 Uiso 1 1 calc R U . . .
H08G H 1.041225 0.511944 1.237083 0.083 Uiso 1 1 calc R U . . .
H08K H 0.974285 0.497690 1.250275 0.083 Uiso 1 1 calc R U . . .
C087 C 0.6671(10) 0.0077(9) 0.3270(8) 0.054(6) Uani 1 1 d . . . . .
H087 H 0.707354 0.000953 0.319923 0.065 Uiso 1 1 calc R U . . .
C088 C 0.9246(11) 0.8436(9) 0.3809(9) 0.058(6) Uani 1 1 d . . . . .
H088 H 0.939840 0.873294 0.357018 0.070 Uiso 1 1 calc R U . . .
C089 C 0.2536(8) 0.9969(9) 0.0531(11) 0.058(6) Uani 1 1 d . . . . .
H089 H 0.230253 1.031300 0.053062 0.069 Uiso 1 1 calc R U . . .
C08A C 0.3487(10) 0.1489(10) 0.5617(11) 0.068(7) Uani 1 1 d . . . . .
H08A H 0.344753 0.148553 0.602943 0.081 Uiso 1 1 calc R U . . .
C08B C 0.2959(9) 0.6667(9) 0.2211(10) 0.059(6) Uani 1 1 d . . . . .
H08B H 0.255010 0.667309 0.228076 0.071 Uiso 1 1 calc R U . . .
C08C C 0.5068(10) 0.5299(9) 0.1196(9) 0.056(6) Uani 1 1 d . . . . .
H08C H 0.467285 0.516898 0.122265 0.067 Uiso 1 1 calc R U . . .
C08D C 0.6185(9) 0.1512(8) 0.2656(8) 0.044(5) Uani 1 1 d . . . . .
H08D H 0.654129 0.156060 0.288955 0.053 Uiso 1 1 calc R U . . .
C08E C 0.9194(9) 0.7103(10) 0.6221(8) 0.054(6) Uani 1 1 d . . . . .
C08F C 1.1542(10) 0.6132(9) 0.2744(10) 0.075(8) Uani 1 1 d . . . . .
H08F H 1.176974 0.599973 0.243336 0.089 Uiso 1 1 calc R U . . .
C08H C 1.0967(8) 0.4897(9) 0.7851(8) 0.047(5) Uani 1 1 d . . . . .
H08H H 1.102266 0.528460 0.771973 0.057 Uiso 1 1 calc R U . . .
C08I C 0.8644(10) 0.5904(10) 0.8630(11) 0.069(7) Uani 1 1 d . . . . .
H08I H 0.857019 0.591851 0.821568 0.082 Uiso 1 1 calc R U . . .
C08J C 0.5810(10) 0.1530(10) 0.5978(11) 0.063(7) Uani 1 1 d . . . . .
H08J H 0.590213 0.120301 0.622240 0.075 Uiso 1 1 calc R U . . .
C08K C 1.0974(17) 0.7376(13) 0.6310(14) 0.091(9) Uani 1 1 d . . . . .
C08L C 1.1196(10) 0.7815(8) 0.5331(10) 0.056(6) Uani 1 1 d . . . . .
C08M C 0.6603(14) 0.3790(10) 0.2277(10) 0.069(7) Uani 1 1 d . . . . .
H08M H 0.676789 0.405925 0.201516 0.082 Uiso 1 1 calc R U . . .
C08N C 0.8620(11) 0.6890(11) 0.7030(9) 0.074(7) Uani 1 1 d . . . . .
H08N H 0.839791 0.663337 0.725829 0.089 Uiso 1 1 calc R U . . .
C08O C 0.8374(10) 0.4482(10) 1.1931(9) 0.060(6) Uani 1 1 d . . . . .
H08O H 0.820158 0.479629 1.213138 0.073 Uiso 1 1 calc R U . . .
C08P C 0.3594(11) 0.6199(9) -0.0425(10) 0.064(6) Uani 1 1 d . . . . .
H08P H 0.350892 0.593808 -0.074277 0.077 Uiso 1 1 calc R U . . .
C08Q C 1.1487(9) 0.8198(9) 0.4983(14) 0.066(7) Uani 1 1 d . . . . .
C08R C 0.8657(10) 0.8434(10) 0.3935(10) 0.063(6) Uani 1 1 d . . . . .
H08R H 0.840952 0.874269 0.379127 0.076 Uiso 1 1 calc R U . . .
C08S C 1.0175(11) 0.9226(9) 0.4870(9) 0.066(6) Uani 1 1 d . . . . .
H08L H 1.030670 0.954964 0.463059 0.099 Uiso 1 1 calc R U . . .
H08Q H 0.978521 0.909390 0.471633 0.099 Uiso 1 1 calc R U . . .
H08S H 1.045646 0.890310 0.485637 0.099 Uiso 1 1 calc R U . . .
C08T C 0.5126(9) 0.8542(10) 0.3774(9) 0.059(6) Uani 1 1 d . . . . .
H08T H 0.529294 0.863309 0.415484 0.071 Uiso 1 1 calc R U . . .
C08U C 1.1896(12) 0.8560(10) 0.5269(15) 0.085(8) Uani 1 1 d . . . . .
H08U H 1.209787 0.882994 0.503630 0.102 Uiso 1 1 calc R U . . .
C08V C 0.3018(10) 0.1374(10) 0.5264(12) 0.070(7) Uani 1 1 d . . . . .
H08V H 0.264963 0.129151 0.542318 0.084 Uiso 1 1 calc R U . . .
C08W C 1.1543(13) 0.6726(11) 0.2875(11) 0.097(10) Uani 1 1 d . . . . .
H08W H 1.174201 0.699174 0.263639 0.116 Uiso 1 1 calc R U . . .
C08X C 0.3140(11) 0.6431(10) -0.0112(11) 0.072(7) Uani 1 1 d . . . . .
H08X H 0.274208 0.632667 -0.021225 0.086 Uiso 1 1 calc R U . . .
O08Y O 0.9855(12) 0.1629(13) 1.0136(13) 0.164(12) Uani 1 1 d . . . . .
H08Y H 0.986031 0.195263 0.996463 0.247 Uiso 1 1 calc R U . . .
C08Z C 1.1300(10) 0.7762(14) 0.5954(14) 0.095(11) Uani 1 1 d . . . . .
C090 C 0.8465(12) 0.6361(11) 0.8972(12) 0.087(8) Uani 1 1 d . . . . .
H090 H 0.826623 0.668220 0.878691 0.104 Uiso 1 1 calc R U . . .
C092 C 0.6909(12) 0.3313(12) 0.2466(10) 0.080(8) Uani 1 1 d . . . . .
H092 H 0.730058 0.326770 0.234624 0.095 Uiso 1 1 calc R U . . .
C095 C 0.8807(11) 0.1448(13) 1.0223(11) 0.091(8) Uani 1 1 d . . . . .
H09A H 0.869794 0.173579 0.991788 0.136 Uiso 1 1 calc R U . . .
H09B H 0.849771 0.142891 1.050489 0.136 Uiso 1 1 calc R U . . .
H09C H 0.885201 0.106470 1.004095 0.136 Uiso 1 1 calc R U . . .
C096 C 1.2025(11) 0.8561(13) 0.5831(18) 0.100(11) Uani 1 1 d . . . . .
H096 H 1.231368 0.881749 0.600342 0.119 Uiso 1 1 calc R U . . .
C098 C 1.1713(14) 0.8158(16) 0.6180(15) 0.107(10) Uani 1 1 d . . . . .
H098 H 1.179503 0.816390 0.659354 0.128 Uiso 1 1 calc R U . . .
C099 C 0.8566(10) 0.6365(10) 0.9569(11) 0.072(7) Uani 1 1 d . . . . .
H099 H 0.845430 0.668765 0.979895 0.087 Uiso 1 1 calc R U . . .
O1 O 0.8800(7) 0.6793(6) 1.1112(6) 0.063(4) Uani 1 1 d G U . . .
H1C H 0.917828 0.675246 1.108257 0.095 Uiso 1 1 d G U . . .
H1D H 0.872072 0.715785 1.117786 0.095 Uiso 1 1 d DG U . . .
N0AA N 0.9521(7) 0.6774(7) 0.2163(7) 0.049(4) Uani 1 1 d . . . . .
H0AA H 0.920928 0.686299 0.193327 0.059 Uiso 1 1 d R U . . .
C3 C 0.9843(9) 0.7258(10) 0.2386(8) 0.057(6) Uani 1 1 d . . . . .
H3A H 1.005755 0.743659 0.207102 0.085 Uiso 1 1 calc R U . . .
H3B H 1.012495 0.713084 0.270273 0.085 Uiso 1 1 calc R U . . .
H3C H 0.957177 0.754441 0.254102 0.085 Uiso 1 1 calc R U . . .
C9 C 0.9910(12) 0.6302(10) 0.1916(12) 0.094(10) Uani 1 1 d . . . . .
H9A H 1.008987 0.644942 0.156462 0.141 Uiso 1 1 calc R U . . .
H9B H 0.966872 0.595889 0.181182 0.141 Uiso 1 1 calc R U . . .
H9C H 1.022009 0.619393 0.221281 0.141 Uiso 1 1 calc R U . . .
O0AA O 0.7744(6) 0.5887(7) 0.1137(9) 0.082(5) Uani 1 1 d G . . . .
H0AB H 0.790922 0.602863 0.145985 0.123 Uiso 1 1 d G U . . .
H0AC H 0.798133 0.592663 0.085311 0.123 Uiso 1 1 d G U . . .
N1 N 1.0460(10) 0.6591(10) 0.7537(8) 0.091(7) Uani 1 1 d . . . . .
H1A H 1.070803 0.642885 0.781953 0.109 Uiso 1 1 calc R U . . .
H1B H 1.068198 0.681593 0.730566 0.109 Uiso 1 1 calc R U . . .
C4 C 1.0186(15) 0.6116(11) 0.7171(10) 0.109(11) Uani 1 1 d . . . . .
H4A H 0.987501 0.627885 0.690328 0.163 Uiso 1 1 calc R U . . .
H4B H 1.001561 0.582535 0.742641 0.163 Uiso 1 1 calc R U . . .
H4C H 1.048722 0.593173 0.694198 0.163 Uiso 1 1 calc R U . . .
C6 C 1.0060(14) 0.6953(11) 0.7811(11) 0.104(10) Uani 1 1 d . . . . .
H6A H 0.978697 0.712790 0.751284 0.157 Uiso 1 1 calc R U . . .
H6B H 1.027695 0.726184 0.802842 0.157 Uiso 1 1 calc R U . . .
H6C H 0.983786 0.672182 0.808466 0.157 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag01 P004 2.529(5) . ?
Ag01 P007 2.531(5) . ?
Ag01 P008 2.526(5) . ?
Ag01 P009 2.556(5) . ?
Ag02 P003 2.519(5) . ?
Ag02 P005 2.620(5) . ?
Ag02 P006 2.608(5) . ?
Ag02 P00A 2.530(5) . ?
P003 C01J 1.824(18) . ?
P003 C02E 1.813(15) . ?
P003 C030 1.839(19) . ?
P004 C02N 1.813(17) . ?
P004 C02Z 1.854(16) . ?
P004 C049 1.833(19) . ?
P005 C02G 1.824(18) . ?
P005 C03U 1.854(16) . ?
P005 C05B 1.805(19) . ?
P006 C022 1.84(2) . ?
P006 C03D 1.809(18) . ?
P006 C04E 1.841(16) . ?
P007 C025 1.806(17) . ?
P007 C026 1.842(16) . ?
P007 C06J 1.825(19) . ?
P008 C01O 1.851(16) . ?
P008 C04M 1.829(18) . ?
P008 C06D 1.871(18) . ?
P009 C02O 1.849(17) . ?
P009 C04A 1.837(18) . ?
P009 C06C 1.835(18) . ?
P00A C037 1.82(2) . ?
P00A C03Z 1.786(18) . ?
P00A C05C 1.835(15) . ?
Al0B Al0D 2.917(7) . ?
Al0B O00J 1.893(13) . ?
Al0B O00K 1.888(11) . ?
Al0B O00M 1.904(12) . ?
Al0B O00S 1.853(12) . ?
Al0B O00T 1.904(11) . ?
Al0B O014 1.834(14) . ?
Al0C O00K 1.988(11) . ?
Al0C O00N 1.815(12) . ?
Al0C O00O 1.883(12) . ?
Al0C O00R 1.745(12) . ?
Al0C O013 1.834(12) . ?
Al0D O00J 1.857(12) . ?
Al0D O00M 1.862(13) . ?
Al0D O00O 1.915(12) . ?
Al0D O00P 1.855(14) . ?
Al0D O00X 1.904(12) . ?
Al0D O011 1.853(12) . ?
Al0E Al0F 2.934(8) . ?
Al0E O00L 1.839(13) . ?
Al0E O00Q 1.910(12) . ?
Al0E O00U 1.906(12) . ?
Al0E O00W 1.883(12) . ?
Al0E O00Y 1.830(13) . ?
Al0E O017 1.886(13) . ?
Al0F O00W 1.863(13) . ?
Al0F O010 1.834(13) . ?
Al0F O016 1.910(14) . ?
Al0F O017 1.891(13) . ?
Al0F O01B 1.804(17) . ?
Al0F O01C 1.914(14) . ?
Al0G O00T 1.942(12) . ?
Al0G O00X 1.921(13) . ?
Al0G O00Z 1.744(14) . ?
Al0G O019 1.803(14) . ?
Al0G O01E 1.846(15) . ?
Al0H O00Q 1.944(13) . ?
Al0H O016 1.932(14) . ?
Al0H O018 1.735(14) . ?
Al0H O01D 1.831(15) . ?
Al0H O01U 1.799(14) . ?
Al0I O00U 1.935(12) . ?
Al0I O01C 1.931(14) . ?
Al0I O01F 1.722(19) . ?
Al0I O01I 1.802(17) . ?
Al0I O01Y 1.859(14) . ?
O00J C027 1.36(2) . ?
O00K C021 1.38(2) . ?
O00L C03E 1.25(2) . ?
O00M C01M 1.35(2) . ?
O00N C02B 1.34(2) . ?
O00O C05U 1.39(2) . ?
O00P C03P 1.24(2) . ?
O00Q C038 1.39(2) . ?
O00R C01S 1.41(2) . ?
O00S C047 1.30(2) . ?
O00T C061 1.42(2) . ?
O00U C079 1.36(2) . ?
O00V C047 1.24(2) . ?
O00W C05R 1.39(2) . ?
O00X C06T 1.38(2) . ?
O00Y C077 1.30(2) . ?
O00Z C033 1.34(2) . ?
O010 C07M 1.29(2) . ?
O011 C06V 1.32(2) . ?
O012 C05P 1.23(2) . ?
O013 C04V 1.34(2) . ?
O014 C05P 1.29(2) . ?
O015 C07M 1.24(2) . ?
O016 C08L 1.33(2) . ?
O017 C05H 1.33(2) . ?
O018 C03T 1.37(2) . ?
O019 C05Z 1.36(3) . ?
O01A C03E 1.26(2) . ?
O01B C08K 1.22(4) . ?
O01C C08E 1.43(2) . ?
O01D C08Q 1.31(3) . ?
O01E C083 1.32(2) . ?
O01F C05K 1.35(3) . ?
O01G C06V 1.24(2) . ?
O01H C077 1.18(2) . ?
O01I C074 1.34(2) . ?
C01J C04O 1.40(2) . ?
C01J C05I 1.40(3) . ?
C01L C01O 1.38(2) . ?
C01L C01T 1.48(2) . ?
C01L C023 1.45(2) . ?
C01M C02K 1.35(2) . ?
C01M C033 1.46(3) . ?
O01N C03P 1.28(2) . ?
C01O C05M 1.38(3) . ?
C01P H01P 0.9500 . ?
C01P C020 1.41(2) . ?
C01P C028 1.36(2) . ?
C01Q C02A 1.42(2) . ?
C01Q C02P 1.43(2) . ?
C01Q C043 1.43(2) . ?
C01R C01V 1.39(2) . ?
C01R C03Q 1.46(2) . ?
C01R C041 1.42(2) . ?
C01S C027 1.37(3) . ?
C01S C02L 1.38(3) . ?
C01T C04A 1.38(2) . ?
C01T C06R 1.42(2) . ?
O01U C07N 1.32(2) . ?
C01V C01W 1.39(2) . ?
C01V C076 1.43(3) . ?
C01W H01W 0.9500 . ?
C01W C03X 1.37(2) . ?
C01X H01X 0.9500 . ?
C01X C026 1.44(2) . ?
C01X C02C 1.38(2) . ?
O01Y C082 1.34(2) . ?
C020 C02U 1.40(2) . ?
C020 C06A 1.47(2) . ?
C021 C02B 1.37(2) . ?
C021 C02I 1.40(2) . ?
C022 C03B 1.42(3) . ?
C022 C06Q 1.44(2) . ?
C023 C02R 1.42(3) . ?
C023 C04L 1.48(2) . ?
N024 H02B 0.9100 . ?
N024 H02E 0.9100 . ?
N024 C06N 1.44(3) . ?
N024 C086 1.50(2) . ?
C025 C03J 1.44(2) . ?
C025 C05X 1.38(2) . ?
C026 C02J 1.33(2) . ?
C027 C04F 1.43(3) . ?
C028 H028 0.9500 . ?
C028 C05B 1.48(2) . ?
C029 H029 0.9500 . ?
C029 C03D 1.39(2) . ?
C029 C04T 1.38(2) . ?
C02A H02A 0.9500 . ?
C02A C04D 1.38(2) . ?
C02B C03S 1.40(2) . ?
C02C H02C 0.9500 . ?
C02C C069 1.43(3) . ?
C02D H02D 0.9500 . ?
C02D C02Z 1.39(2) . ?
C02D C06P 1.39(2) . ?
C02E C031 1.36(2) . ?
C02E C04I 1.39(2) . ?
C02F H02F 0.9500 . ?
C02F C02O 1.35(3) . ?
C02F C06W 1.37(3) . ?
C02G C03W 1.36(3) . ?
C02G C07C 1.42(2) . ?
C02I C056 1.43(3) . ?
C02I C05P 1.50(2) . ?
C02J C041 1.53(2) . ?
C02J C062 1.48(2) . ?
C02K H02K 0.9500 . ?
C02K C03Y 1.40(3) . ?
C02L H02L 0.9500 . ?
C02L C04X 1.41(3) . ?
C02M H02G 0.9900 . ?
C02M H02H 0.9900 . ?
C02M O07Q 1.47(3) . ?
C02M C08S 1.53(2) . ?
C02N C02S 1.35(2) . ?
C02N C06E 1.41(3) . ?
C02O C03M 1.42(3) . ?
C02P C05Y 1.42(2) . ?
C02P C07F 1.40(3) . ?
C02Q H02Q 0.9500 . ?
C02Q C033 1.34(3) . ?
C02Q C05T 1.40(3) . ?
C02R C04H 1.39(3) . ?
C02R C059 1.41(2) . ?
C02S H02S 0.9500 . ?
C02S C053 1.40(3) . ?
C02T H02T 0.9500 . ?
C02T C037 1.34(2) . ?
C02T C05W 1.39(3) . ?
C02U H02U 0.9500 . ?
C02U C04Q 1.34(2) . ?
C02V H02V 0.9500 . ?
C02V C03H 1.39(3) . ?
C02V C03J 1.34(2) . ?
C02W H02W 0.9500 . ?
C02W C03Z 1.47(2) . ?
C02W C04U 1.34(2) . ?
C02X H02X 0.9500 . ?
C02X C064 1.34(3) . ?
C02X C08C 1.40(3) . ?
C02Y H02Y 0.9500 . ?
C02Y C04N 1.41(3) . ?
C02Y C05I 1.41(3) . ?
C02Z C046 1.39(3) . ?
C030 C032 1.44(2) . ?
C030 C043 1.38(2) . ?
C031 H031 0.9500 . ?
C031 C03N 1.38(2) . ?
C032 H032 0.9500 . ?
C032 C05Y 1.33(2) . ?
C034 C03B 1.39(3) . ?
C034 C048 1.43(2) . ?
C034 C078 1.41(2) . ?
C035 H035 0.9500 . ?
C035 C04B 1.34(2) . ?
C035 C062 1.36(2) . ?
C036 H036 0.9500 . ?
C036 C03C 1.39(2) . ?
C036 C07B 1.41(2) . ?
C037 C07W 1.42(3) . ?
C038 C05F 1.34(3) . ?
C038 C07N 1.42(3) . ?
C039 H039 0.9500 . ?
C039 C05E 1.42(3) . ?
C039 C063 1.35(3) . ?
C03A H03A 0.9500 . ?
C03A C04G 1.40(3) . ?
C03A C04T 1.38(3) . ?
C03B C03V 1.52(2) . ?
C03C H03C 0.9500 . ?
C03C C03U 1.33(2) . ?
C03D C03I 1.40(3) . ?
C03E C075 1.50(2) . ?
C03F H03F 0.9500 . ?
C03F C03Q 1.36(2) . ?
C03F C054 1.42(2) . ?
C03G H03G 0.9500 . ?
C03G C04V 1.41(2) . ?
C03G C06O 1.39(3) . ?
C03H H03H 0.9500 . ?
C03H C040 1.34(3) . ?
C03I H03I 0.9500 . ?
C03I C04G 1.39(3) . ?
C03J H03J 0.9500 . ?
C03K H03K 0.9500 . ?
C03K C04A 1.44(2) . ?
C03K C06L 1.38(3) . ?
C03L H03L 0.9500 . ?
C03L C03S 1.38(2) . ?
C03L C056 1.40(2) . ?
C03M H03M 0.9500 . ?
C03M C092 1.42(3) . ?
C03N H03N 0.9500 . ?
C03N C07E 1.29(3) . ?
C03O C04U 1.44(3) . ?
C03O C05E 1.45(3) . ?
C03O C07K 1.38(3) . ?
C03P C06Z 1.47(3) . ?
C03Q H03Q 0.9500 . ?
C03R H03R 0.9500 . ?
C03R C066 1.42(2) . ?
C03R C07B 1.39(3) . ?
C03S H03S 0.9500 . ?
C03T C05R 1.43(3) . ?
C03T C088 1.36(3) . ?
C03U C066 1.42(2) . ?
C03V C03Z 1.38(2) . ?
C03V C05E 1.45(3) . ?
C03W H03W 0.9500 . ?
C03W C064 1.42(3) . ?
C03X H03X 0.9500 . ?
C03X C049 1.43(2) . ?
C03Y H03Y 0.9500 . ?
C03Y C05T 1.39(3) . ?
C040 H040 0.9500 . ?
C040 C05X 1.39(2) . ?
C041 C049 1.39(3) . ?
C042 H042 0.9500 . ?
C042 C07J 1.38(3) . ?
C042 C07O 1.40(3) . ?
C043 C05A 1.52(2) . ?
C044 H044 0.9500 . ?
C044 C04F 1.38(3) . ?
C044 C04X 1.35(3) . ?
C045 H045 0.9500 . ?
C045 C04B 1.44(3) . ?
C045 C05J 1.31(3) . ?
C046 H046 0.9500 . ?
C046 C072 1.40(2) . ?
C047 C06M 1.49(3) . ?
C048 H048 0.9500 . ?
C048 C04S 1.34(3) . ?
C04B H04B 0.9500 . ?
C04C H04C 0.9500 . ?
C04C C068 1.36(3) . ?
C04C C075 1.45(3) . ?
C04D H04D 0.9500 . ?
C04D C051 1.40(2) . ?
C04E C058 1.40(3) . ?
C04E C06F 1.34(2) . ?
C04F H04F 0.9500 . ?
C04G H04G 0.9500 . ?
C04H H04H 0.9500 . ?
C04H C057 1.32(3) . ?
C04I H04I 0.9500 . ?
C04I C08T 1.38(3) . ?
C04J H04J 0.9500 . ?
C04J C04K 1.37(3) . ?
C04J C07S 1.38(2) . ?
C04K H04K 0.9500 . ?
C04K C06F 1.39(3) . ?
C04L H04L 0.9500 . ?
C04L C087 1.40(3) . ?
C04M C05S 1.35(2) . ?
C04M C07D 1.37(3) . ?
C04N H04N 0.9500 . ?
C04N C060 1.38(3) . ?
C04O H04O 0.9500 . ?
C04O C060 1.37(2) . ?
C04P H04P 0.9500 . ?
C04P C05R 1.41(3) . ?
C04P C07Y 1.38(3) . ?
C04Q H04Q 0.9500 . ?
C04Q C05N 1.42(2) . ?
C04R H04R 0.9500 . ?
C04R C05N 1.29(2) . ?
C04R C06A 1.42(2) . ?
C04S H04S 0.9500 . ?
C04S C055 1.40(3) . ?
C04T H04T 0.9500 . ?
C04U H04U 0.9500 . ?
C04V C05U 1.40(2) . ?
C04W H04W 0.9500 . ?
C04W C053 1.36(3) . ?
C04W C084 1.40(3) . ?
C04X H04X 0.9500 . ?
C04Y H04Y 0.9500 . ?
C04Y C073 1.37(3) . ?
C04Y C07J 1.32(3) . ?
C04Z C06I 1.48(3) . ?
C04Z C06L 1.36(3) . ?
C04Z C06R 1.41(3) . ?
C050 C07M 1.47(3) . ?
C050 C07T 1.46(3) . ?
C050 C08E 1.33(3) . ?
C051 H051 0.9500 . ?
C051 C07F 1.37(3) . ?
C052 H052 0.9500 . ?
C052 C067 1.40(3) . ?
C052 C08B 1.35(3) . ?
C053 H053 0.9500 . ?
C054 H054 0.9500 . ?
C054 C076 1.37(3) . ?
C055 H055 0.9500 . ?
C055 C05V 1.41(3) . ?
C056 H056 0.9500 . ?
C057 H057 0.9500 . ?
C057 C087 1.37(3) . ?
C058 H058 0.9500 . ?
C058 C07S 1.37(2) . ?
C059 H059 0.9500 . ?
C059 C05M 1.42(3) . ?
C05A C05B 1.38(3) . ?
C05A C06A 1.42(2) . ?
C05C C05L 1.38(3) . ?
C05C C07P 1.37(3) . ?
C05D H05D 0.9500 . ?
C05D C065 1.44(3) . ?
C05D C06M 1.38(2) . ?
C05F C05O 1.44(3) . ?
C05F C077 1.50(3) . ?
C05G H05G 0.9500 . ?
C05G C07H 1.42(3) . ?
C05G C08D 1.37(3) . ?
C05H C05K 1.44(3) . ?
C05H C06K 1.38(3) . ?
C05I H05I 0.9500 . ?
C05J H05J 0.9500 . ?
C05J C069 1.41(3) . ?
C05K C081 1.38(3) . ?
C05L H05L 0.9500 . ?
C05L C067 1.40(2) . ?
C05M H05M 0.9500 . ?
C05N H05N 0.9500 . ?
C05O H05O 0.9500 . ?
C05O C08F 1.32(3) . ?
C05Q H05Q 0.9500 . ?
C05Q C07D 1.36(3) . ?
C05Q C07R 1.42(3) . ?
C05S H05S 0.9500 . ?
C05S C08J 1.36(3) . ?
C05T H05T 0.9500 . ?
C05U C07L 1.35(2) . ?
C05V H05V 0.9500 . ?
C05V C078 1.42(3) . ?
C05W H05W 0.9500 . ?
C05W C08P 1.39(3) . ?
C05X H05X 0.9500 . ?
C05Y H05Y 0.9500 . ?
C05Z C061 1.46(3) . ?
C05Z C08O 1.33(3) . ?
C060 H060 0.9500 . ?
C061 C06M 1.35(3) . ?
C062 C069 1.43(2) . ?
C063 H063 0.9500 . ?
C063 C089 1.44(3) . ?
C064 H064 0.9500 . ?
C065 H065 0.9500 . ?
C065 C08O 1.27(3) . ?
C066 H066 0.9500 . ?
C067 H067 0.9500 . ?
C068 H068 0.9500 . ?
C068 C07X 1.35(3) . ?
C06C C06H 1.42(3) . ?
C06C C08D 1.38(3) . ?
C06D C06X 1.33(3) . ?
C06D C07Z 1.38(3) . ?
C06E H06E 0.9500 . ?
C06E C084 1.38(3) . ?
C06F H06F 0.9500 . ?
C06G H06G 0.9500 . ?
C06G C06P 1.37(3) . ?
C06G C072 1.34(3) . ?
C06H H06H 0.9500 . ?
C06H C07I 1.41(3) . ?
C06I H06I 0.9500 . ?
C06I C07U 1.37(3) . ?
C06J C073 1.38(3) . ?
C06J C07O 1.42(3) . ?
C06K H06K 0.9500 . ?
C06K C06Y 1.44(3) . ?
C06L H06L 0.9500 . ?
C06N H06A 0.9800 . ?
C06N H06B 0.9800 . ?
C06N H06C 0.9800 . ?
C06O H06O 0.9500 . ?
C06O C08H 1.40(3) . ?
C06P H06P 0.9500 . ?
C06Q H06Q 0.9500 . ?
C06Q C06U 1.29(2) . ?
C06R C070 1.40(2) . ?
C06S H06D 0.9900 . ?
C06S H06J 0.9900 . ?
C06S O08Y 1.43(3) . ?
C06S C095 1.56(3) . ?
C06T C06Z 1.39(3) . ?
C06T C083 1.38(3) . ?
C06U H06U 0.9500 . ?
C06U C078 1.39(2) . ?
C06V C07L 1.47(3) . ?
C06W H06W 0.9500 . ?
C06W C08M 1.32(3) . ?
C06X H06X 0.9500 . ?
C06X C07G 1.39(3) . ?
C06Y H06Y 0.9500 . ?
C06Y C071 1.38(3) . ?
C06Z C08I 1.37(3) . ?
C070 H070 0.9500 . ?
C070 C085 1.36(3) . ?
C071 H071 0.9500 . ?
C071 C081 1.38(4) . ?
C072 H072 0.9500 . ?
C073 H073 0.9500 . ?
C074 C079 1.42(3) . ?
C074 C07X 1.41(3) . ?
C075 C079 1.36(3) . ?
C076 H076 0.9500 . ?
O07A C08K 1.32(4) . ?
C07B H07B 0.9500 . ?
C07C H07C 0.9500 . ?
C07C C08C 1.41(3) . ?
C07D H07D 0.9500 . ?
C07E H07E 0.9500 . ?
C07E C08T 1.45(3) . ?
C07F H07F 0.9500 . ?
C07G H07G 0.9500 . ?
C07G C08V 1.38(3) . ?
C07H H07H 0.9500 . ?
C07H C07I 1.35(3) . ?
C07I H07I 0.9500 . ?
C07J H07J 0.9500 . ?
C07K H07K 0.9500 . ?
C07K C089 1.30(3) . ?
C07L C08H 1.41(2) . ?
C07N C08W 1.45(3) . ?
C07O H07O 0.9500 . ?
C07P H07P 0.9500 . ?
C07P C08B 1.37(3) . ?
O07Q H07Q 0.8400 . ?
C07R H07R 0.9500 . ?
C07R C08J 1.40(3) . ?
C07S H07S 0.9500 . ?
C07T H07T 0.9500 . ?
C07T C07V 1.29(3) . ?
C07U H07U 0.9500 . ?
C07U C085 1.42(3) . ?
C07V H07V 0.9500 . ?
C07V C08N 1.42(3) . ?
C07W H07W 0.9500 . ?
C07W C08X 1.42(3) . ?
C07X H07X 0.9500 . ?
C07Y H07Y 0.9500 . ?
C07Y C08R 1.38(3) . ?
C07Z H07Z 0.9500 . ?
C07Z C08A 1.42(3) . ?
C081 H081 0.9500 . ?
C082 C08E 1.43(3) . ?
C082 C08N 1.34(3) . ?
C083 C099 1.40(3) . ?
C084 H084 0.9500 . ?
C085 H085 0.9500 . ?
C086 H08E 0.9800 . ?
C086 H08G 0.9800 . ?
C086 H08K 0.9800 . ?
C087 H087 0.9500 . ?
C088 H088 0.9500 . ?
C088 C08R 1.38(3) . ?
C089 H089 0.9500 . ?
C08A H08A 0.9500 . ?
C08A C08V 1.32(3) . ?
C08B H08B 0.9500 . ?
C08C H08C 0.9500 . ?
C08D H08D 0.9500 . ?
C08F H08F 0.9500 . ?
C08F C08W 1.39(3) . ?
C08H H08H 0.9500 . ?
C08I H08I 0.9500 . ?
C08I C090 1.38(3) . ?
C08J H08J 0.9500 . ?
C08K C08Z 1.43(4) . ?
C08L C08Q 1.38(3) . ?
C08L C08Z 1.43(4) . ?
C08M H08M 0.9500 . ?
C08M C092 1.35(4) . ?
C08N H08N 0.9500 . ?
C08O H08O 0.9500 . ?
C08P H08P 0.9500 . ?
C08P C08X 1.39(3) . ?
C08Q C08U 1.38(3) . ?
C08R H08R 0.9500 . ?
C08S H08L 0.9800 . ?
C08S H08Q 0.9800 . ?
C08S H08S 0.9800 . ?
C08T H08T 0.9500 . ?
C08U H08U 0.9500 . ?
C08U C096 1.30(4) . ?
C08V H08V 0.9500 . ?
C08W H08W 0.9500 . ?
C08X H08X 0.9500 . ?
O08Y H08Y 0.8400 . ?
C08Z C098 1.38(4) . ?
C090 H090 0.9500 . ?
C090 C099 1.37(3) . ?
C092 H092 0.9500 . ?
C095 H09A 0.9800 . ?
C095 H09B 0.9800 . ?
C095 H09C 0.9800 . ?
C096 H096 0.9500 . ?
C096 C098 1.43(4) . ?
C098 H098 0.9500 . ?
C099 H099 0.9500 . ?
O1 H1C 0.8702 . ?
O1 H1D 0.8703 . ?
N0AA H0AA 0.8800 . ?
N0AA C3 1.41(3) . ?
N0AA C9 1.53(2) . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
O0AA H0AB 0.8701 . ?
O0AA H0AC 0.8702 . ?
N1 H1A 0.9100 . ?
N1 H1B 0.9100 . ?
N1 C4 1.49(3) . ?
N1 C6 1.40(3) . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P004 Ag01 P007 89.93(16) . . ?
P004 Ag01 P009 121.87(15) . . ?
P007 Ag01 P009 120.61(15) . . ?
P008 Ag01 P004 118.68(15) . . ?
P008 Ag01 P007 117.63(16) . . ?
P008 Ag01 P009 91.02(14) . . ?
P003 Ag02 P005 91.11(15) . . ?
P003 Ag02 P006 119.95(16) . . ?
P003 Ag02 P00A 118.72(15) . . ?
P006 Ag02 P005 121.54(14) . . ?
P00A Ag02 P005 119.84(15) . . ?
P00A Ag02 P006 88.78(16) . . ?
C01J P003 Ag02 114.3(5) . . ?
C01J P003 C030 107.7(8) . . ?
C02E P003 Ag02 117.7(6) . . ?
C02E P003 C01J 101.9(7) . . ?
C02E P003 C030 105.8(8) . . ?
C030 P003 Ag02 108.6(6) . . ?
C02N P004 Ag01 114.2(6) . . ?
C02N P004 C02Z 105.0(8) . . ?
C02N P004 C049 104.1(8) . . ?
C02Z P004 Ag01 115.9(6) . . ?
C049 P004 Ag01 111.6(6) . . ?
C049 P004 C02Z 104.9(8) . . ?
C02G P005 Ag02 121.1(6) . . ?
C02G P005 C03U 100.9(7) . . ?
C03U P005 Ag02 117.2(5) . . ?
C05B P005 Ag02 107.7(6) . . ?
C05B P005 C02G 103.0(8) . . ?
C05B P005 C03U 105.0(8) . . ?
C022 P006 Ag02 104.9(6) . . ?
C022 P006 C04E 106.8(8) . . ?
C03D P006 Ag02 114.0(6) . . ?
C03D P006 C022 106.3(8) . . ?
C03D P006 C04E 100.6(8) . . ?
C04E P006 Ag02 123.1(6) . . ?
C025 P007 Ag01 113.7(6) . . ?
C025 P007 C026 107.1(8) . . ?
C025 P007 C06J 101.9(8) . . ?
C026 P007 Ag01 108.2(6) . . ?
C06J P007 Ag01 118.7(7) . . ?
C06J P007 C026 106.4(8) . . ?
C01O P008 Ag01 107.9(5) . . ?
C01O P008 C06D 106.9(8) . . ?
C04M P008 Ag01 120.8(6) . . ?
C04M P008 C01O 102.3(8) . . ?
C04M P008 C06D 103.3(9) . . ?
C06D P008 Ag01 114.3(7) . . ?
C02O P009 Ag01 118.6(6) . . ?
C04A P009 Ag01 110.7(5) . . ?
C04A P009 C02O 105.7(9) . . ?
C06C P009 Ag01 116.6(6) . . ?
C06C P009 C02O 98.6(7) . . ?
C06C P009 C04A 105.0(8) . . ?
C037 P00A Ag02 113.0(6) . . ?
C037 P00A C05C 99.3(8) . . ?
C03Z P00A Ag02 111.1(6) . . ?
C03Z P00A C037 110.4(9) . . ?
C03Z P00A C05C 105.4(8) . . ?
C05C P00A Ag02 116.8(7) . . ?
O00J Al0B Al0D 38.5(4) . . ?
O00J Al0B O00M 77.2(5) . . ?
O00J Al0B O00T 89.0(5) . . ?
O00K Al0B Al0D 86.4(4) . . ?
O00K Al0B O00J 84.8(5) . . ?
O00K Al0B O00M 88.5(5) . . ?
O00K Al0B O00T 170.9(6) . . ?
O00M Al0B Al0D 38.7(4) . . ?
O00S Al0B Al0D 132.8(5) . . ?
O00S Al0B O00J 94.5(6) . . ?
O00S Al0B O00K 94.3(5) . . ?
O00S Al0B O00M 171.0(6) . . ?
O00S Al0B O00T 92.8(5) . . ?
O00T Al0B Al0D 84.6(4) . . ?
O00T Al0B O00M 83.7(5) . . ?
O014 Al0B Al0D 133.5(5) . . ?
O014 Al0B O00J 171.8(6) . . ?
O014 Al0B O00K 93.1(6) . . ?
O014 Al0B O00M 94.8(6) . . ?
O014 Al0B O00S 93.6(6) . . ?
O014 Al0B O00T 92.1(5) . . ?
O00N Al0C O00K 82.9(5) . . ?
O00N Al0C O00O 129.2(6) . . ?
O00N Al0C O013 89.6(6) . . ?
O00O Al0C O00K 90.6(5) . . ?
O00R Al0C O00K 95.5(5) . . ?
O00R Al0C O00N 113.1(6) . . ?
O00R Al0C O00O 117.7(6) . . ?
O00R Al0C O013 98.9(6) . . ?
O013 Al0C O00K 165.5(6) . . ?
O013 Al0C O00O 84.6(5) . . ?
O00J Al0D Al0B 39.4(4) . . ?
O00J Al0D O00M 79.1(5) . . ?
O00J Al0D O00O 84.9(5) . . ?
O00J Al0D O00X 92.6(5) . . ?
O00M Al0D Al0B 39.8(4) . . ?
O00M Al0D O00O 91.6(5) . . ?
O00M Al0D O00X 84.1(5) . . ?
O00O Al0D Al0B 88.5(4) . . ?
O00P Al0D Al0B 132.9(5) . . ?
O00P Al0D O00J 93.9(6) . . ?
O00P Al0D O00M 170.8(6) . . ?
O00P Al0D O00O 93.7(6) . . ?
O00P Al0D O00X 90.3(6) . . ?
O00X Al0D Al0B 87.1(4) . . ?
O00X Al0D O00O 175.4(6) . . ?
O011 Al0D Al0B 133.2(5) . . ?
O011 Al0D O00J 171.1(6) . . ?
O011 Al0D O00M 93.6(6) . . ?
O011 Al0D O00O 90.3(5) . . ?
O011 Al0D O00P 93.9(6) . . ?
O011 Al0D O00X 91.7(5) . . ?
O00L Al0E Al0F 133.2(5) . . ?
O00L Al0E O00Q 92.0(5) . . ?
O00L Al0E O00U 92.5(6) . . ?
O00L Al0E O00W 95.1(6) . . ?
O00L Al0E O017 171.4(6) . . ?
O00Q Al0E Al0F 86.3(4) . . ?
O00U Al0E Al0F 85.9(4) . . ?
O00U Al0E O00Q 172.1(6) . . ?
O00W Al0E Al0F 38.2(4) . . ?
O00W Al0E O00Q 83.5(5) . . ?
O00W Al0E O00U 89.7(6) . . ?
O00W Al0E O017 77.3(6) . . ?
O00Y Al0E Al0F 134.0(5) . . ?
O00Y Al0E O00L 92.9(6) . . ?
O00Y Al0E O00Q 93.0(5) . . ?
O00Y Al0E O00U 93.2(6) . . ?
O00Y Al0E O00W 171.5(7) . . ?
O00Y Al0E O017 95.0(6) . . ?
O017 Al0E Al0F 39.1(4) . . ?
O017 Al0E O00Q 91.0(6) . . ?
O017 Al0E O00U 83.6(6) . . ?
O00W Al0F Al0E 38.7(4) . . ?
O00W Al0F O016 85.1(6) . . ?
O00W Al0F O017 77.6(6) . . ?
O00W Al0F O01C 90.3(6) . . ?
O010 Al0F Al0E 133.4(5) . . ?
O010 Al0F O00W 94.7(6) . . ?
O010 Al0F O016 91.6(6) . . ?
O010 Al0F O017 171.7(7) . . ?
O010 Al0F O01C 91.8(6) . . ?
O016 Al0F Al0E 87.3(4) . . ?
O016 Al0F O01C 174.5(6) . . ?
O017 Al0F Al0E 39.0(4) . . ?
O017 Al0F O016 91.0(6) . . ?
O017 Al0F O01C 85.0(6) . . ?
O01B Al0F Al0E 131.8(5) . . ?
O01B Al0F O00W 170.3(7) . . ?
O01B Al0F O010 94.8(6) . . ?
O01B Al0F O016 92.7(8) . . ?
O01B Al0F O017 93.0(6) . . ?
O01B Al0F O01C 91.3(8) . . ?
O01C Al0F Al0E 87.2(4) . . ?
O00X Al0G O00T 86.3(5) . . ?
O00Z Al0G O00T 103.3(6) . . ?
O00Z Al0G O00X 113.9(6) . . ?
O00Z Al0G O019 106.2(7) . . ?
O00Z Al0G O01E 100.6(7) . . ?
O019 Al0G O00T 84.8(6) . . ?
O019 Al0G O00X 140.0(7) . . ?
O019 Al0G O01E 88.8(7) . . ?
O01E Al0G O00T 156.1(7) . . ?
O01E Al0G O00X 83.9(7) . . ?
O016 Al0H O00Q 89.2(5) . . ?
O018 Al0H O00Q 107.2(6) . . ?
O018 Al0H O016 108.9(6) . . ?
O018 Al0H O01D 102.2(7) . . ?
O018 Al0H O01U 106.2(8) . . ?
O01D Al0H O00Q 150.5(6) . . ?
O01D Al0H O016 82.3(7) . . ?
O01U Al0H O00Q 83.7(6) . . ?
O01U Al0H O016 144.8(8) . . ?
O01U Al0H O01D 87.2(7) . . ?
O01C Al0I O00U 88.8(6) . . ?
O01F Al0I O00U 103.3(7) . . ?
O01F Al0I O01C 111.5(8) . . ?
O01F Al0I O01I 108.6(8) . . ?
O01F Al0I O01Y 102.8(8) . . ?
O01I Al0I O00U 84.4(6) . . ?
O01I Al0I O01C 139.8(8) . . ?
O01I Al0I O01Y 86.6(8) . . ?
O01Y Al0I O00U 153.9(8) . . ?
O01Y Al0I O01C 82.5(6) . . ?
Al0D O00J Al0B 102.1(6) . . ?
C027 O00J Al0B 125.8(10) . . ?
C027 O00J Al0D 132.0(11) . . ?
Al0B O00K Al0C 124.7(6) . . ?
C021 O00K Al0B 125.5(10) . . ?
C021 O00K Al0C 109.4(9) . . ?
C03E O00L Al0E 128.5(11) . . ?
Al0D O00M Al0B 101.5(6) . . ?
C01M O00M Al0B 127.1(10) . . ?
C01M O00M Al0D 130.0(10) . . ?
C02B O00N Al0C 116.6(10) . . ?
Al0C O00O Al0D 125.1(6) . . ?
C05U O00O Al0C 112.5(10) . . ?
C05U O00O Al0D 117.3(10) . . ?
C03P O00P Al0D 127.5(13) . . ?
Al0E O00Q Al0H 125.3(6) . . ?
C038 O00Q Al0E 119.5(11) . . ?
C038 O00Q Al0H 113.9(11) . . ?
C01S O00R Al0C 131.8(11) . . ?
C047 O00S Al0B 130.3(12) . . ?
Al0B O00T Al0G 125.2(6) . . ?
C061 O00T Al0B 119.4(11) . . ?
C061 O00T Al0G 112.1(10) . . ?
Al0E O00U Al0I 126.3(7) . . ?
C079 O00U Al0E 120.3(10) . . ?
C079 O00U Al0I 112.2(10) . . ?
Al0F O00W Al0E 103.1(7) . . ?
C05R O00W Al0E 128.6(10) . . ?
C05R O00W Al0F 127.6(10) . . ?
Al0D O00X Al0G 124.9(7) . . ?
C06T O00X Al0D 118.5(11) . . ?
C06T O00X Al0G 111.0(10) . . ?
C077 O00Y Al0E 131.2(11) . . ?
C033 O00Z Al0G 135.4(12) . . ?
C07M O010 Al0F 129.8(13) . . ?
C06V O011 Al0D 126.6(12) . . ?
C04V O013 Al0C 114.1(11) . . ?
C05P O014 Al0B 136.5(12) . . ?
Al0F O016 Al0H 123.8(7) . . ?
C08L O016 Al0F 121.2(13) . . ?
C08L O016 Al0H 112.1(13) . . ?
Al0E O017 Al0F 102.0(6) . . ?
C05H O017 Al0E 125.1(11) . . ?
C05H O017 Al0F 132.3(12) . . ?
C03T O018 Al0H 137.0(12) . . ?
C05Z O019 Al0G 117.5(12) . . ?
C08K O01B Al0F 129.6(18) . . ?
Al0F O01C Al0I 124.5(7) . . ?
C08E O01C Al0F 118.7(13) . . ?
C08E O01C Al0I 113.2(12) . . ?
C08Q O01D Al0H 116.0(14) . . ?
C083 O01E Al0G 114.6(12) . . ?
C05K O01F Al0I 136.4(13) . . ?
C074 O01I Al0I 115.7(12) . . ?
C04O C01J P003 116.5(14) . . ?
C05I C01J P003 124.2(13) . . ?
C05I C01J C04O 119.2(17) . . ?
C01O C01L C01T 125.4(14) . . ?
C01O C01L C023 116.4(16) . . ?
C023 C01L C01T 118.2(15) . . ?
O00M C01M C033 114.6(15) . . ?
C02K C01M O00M 124.4(16) . . ?
C02K C01M C033 120.9(17) . . ?
C01L C01O P008 121.5(13) . . ?
C05M C01O P008 115.2(13) . . ?
C05M C01O C01L 122.7(15) . . ?
C020 C01P H01P 119.5 . . ?
C028 C01P H01P 119.5 . . ?
C028 C01P C020 121.0(15) . . ?
C02A C01Q C02P 116.3(15) . . ?
C02A C01Q C043 123.1(13) . . ?
C043 C01Q C02P 120.4(15) . . ?
C01V C01R C03Q 119.2(15) . . ?
C01V C01R C041 120.6(16) . . ?
C041 C01R C03Q 120.1(15) . . ?
C027 C01S O00R 117.4(17) . . ?
C027 C01S C02L 125.5(17) . . ?
C02L C01S O00R 116.9(15) . . ?
C04A C01T C01L 121.6(15) . . ?
C04A C01T C06R 118.8(16) . . ?
C06R C01T C01L 119.6(15) . . ?
C07N O01U Al0H 114.7(13) . . ?
C01R C01V C076 119.5(17) . . ?
C01W C01V C01R 120.6(16) . . ?
C01W C01V C076 119.8(16) . . ?
C01V C01W H01W 120.9 . . ?
C03X C01W C01V 118.1(15) . . ?
C03X C01W H01W 120.9 . . ?
C026 C01X H01X 119.8 . . ?
C02C C01X H01X 119.8 . . ?
C02C C01X C026 120.5(17) . . ?
C082 O01Y Al0I 118.6(12) . . ?
C01P C020 C06A 119.0(16) . . ?
C02U C020 C01P 123.3(15) . . ?
C02U C020 C06A 117.7(15) . . ?
O00K C021 C02I 123.1(15) . . ?
C02B C021 O00K 114.6(15) . . ?
C02B C021 C02I 122.2(17) . . ?
C03B C022 P006 123.4(12) . . ?
C03B C022 C06Q 116.5(18) . . ?
C06Q C022 P006 119.5(14) . . ?
C01L C023 C04L 119.4(17) . . ?
C02R C023 C01L 123.7(16) . . ?
C02R C023 C04L 116.6(17) . . ?
H02B N024 H02E 107.6 . . ?
C06N N024 H02B 108.6 . . ?
C06N N024 H02E 108.6 . . ?
C06N N024 C086 114.6(17) . . ?
C086 N024 H02B 108.6 . . ?
C086 N024 H02E 108.6 . . ?
C03J C025 P007 124.8(13) . . ?
C05X C025 P007 118.4(13) . . ?
C05X C025 C03J 116.7(16) . . ?
C01X C026 P007 114.4(13) . . ?
C02J C026 P007 124.6(13) . . ?
C02J C026 C01X 120.8(15) . . ?
O00J C027 C01S 123.4(18) . . ?
O00J C027 C04F 121.5(17) . . ?
C01S C027 C04F 115.1(19) . . ?
C01P C028 H028 119.1 . . ?
C01P C028 C05B 121.9(16) . . ?
C05B C028 H028 119.1 . . ?
C03D C029 H029 119.0 . . ?
C04T C029 H029 119.0 . . ?
C04T C029 C03D 122.0(17) . . ?
C01Q C02A H02A 118.2 . . ?
C04D C02A C01Q 123.6(14) . . ?
C04D C02A H02A 118.2 . . ?
O00N C02B C021 115.4(15) . . ?
O00N C02B C03S 123.6(13) . . ?
C021 C02B C03S 120.9(16) . . ?
C01X C02C H02C 120.1 . . ?
C01X C02C C069 119.8(16) . . ?
C069 C02C H02C 120.1 . . ?
C02Z C02D H02D 120.6 . . ?
C06P C02D H02D 120.6 . . ?
C06P C02D C02Z 118.8(17) . . ?
C031 C02E P003 120.4(13) . . ?
C031 C02E C04I 115.6(14) . . ?
C04I C02E P003 124.0(13) . . ?
C02O C02F H02F 119.7 . . ?
C02O C02F C06W 121(2) . . ?
C06W C02F H02F 119.7 . . ?
C03W C02G P005 121.5(14) . . ?
C03W C02G C07C 119.2(18) . . ?
C07C C02G P005 118.8(15) . . ?
C021 C02I C056 116.4(15) . . ?
C021 C02I C05P 126.3(16) . . ?
C056 C02I C05P 117.3(17) . . ?
C026 C02J C041 123.4(13) . . ?
C026 C02J C062 121.6(15) . . ?
C062 C02J C041 115.0(14) . . ?
C01M C02K H02K 120.4 . . ?
C01M C02K C03Y 119.2(17) . . ?
C03Y C02K H02K 120.4 . . ?
C01S C02L H02L 121.9 . . ?
C01S C02L C04X 116.2(18) . . ?
C04X C02L H02L 121.9 . . ?
H02G C02M H02H 107.8 . . ?
O07Q C02M H02G 109.1 . . ?
O07Q C02M H02H 109.1 . . ?
O07Q C02M C08S 112.7(17) . . ?
C08S C02M H02G 109.1 . . ?
C08S C02M H02H 109.1 . . ?
C02S C02N P004 119.1(15) . . ?
C02S C02N C06E 115.7(16) . . ?
C06E C02N P004 125.1(14) . . ?
C02F C02O P009 119.6(15) . . ?
C02F C02O C03M 121.0(17) . . ?
C03M C02O P009 119.3(15) . . ?
C05Y C02P C01Q 116.2(16) . . ?
C07F C02P C01Q 120.1(16) . . ?
C07F C02P C05Y 123.6(16) . . ?
C033 C02Q H02Q 117.3 . . ?
C033 C02Q C05T 125(2) . . ?
C05T C02Q H02Q 117.3 . . ?
C04H C02R C023 121.4(18) . . ?
C04H C02R C059 123.4(18) . . ?
C059 C02R C023 115.1(16) . . ?
C02N C02S H02S 118.3 . . ?
C02N C02S C053 123.5(19) . . ?
C053 C02S H02S 118.3 . . ?
C037 C02T H02T 119.2 . . ?
C037 C02T C05W 121.6(19) . . ?
C05W C02T H02T 119.2 . . ?
C020 C02U H02U 118.8 . . ?
C04Q C02U C020 122.4(15) . . ?
C04Q C02U H02U 118.8 . . ?
C03H C02V H02V 120.2 . . ?
C03J C02V H02V 120.2 . . ?
C03J C02V C03H 119.5(18) . . ?
C03Z C02W H02W 119.3 . . ?
C04U C02W H02W 119.3 . . ?
C04U C02W C03Z 121.4(17) . . ?
C064 C02X H02X 120.6 . . ?
C064 C02X C08C 118.7(18) . . ?
C08C C02X H02X 120.6 . . ?
C04N C02Y H02Y 120.9 . . ?
C04N C02Y C05I 118(2) . . ?
C05I C02Y H02Y 120.9 . . ?
C02D C02Z P004 120.9(14) . . ?
C02D C02Z C046 122.0(15) . . ?
C046 C02Z P004 117.1(13) . . ?
C032 C030 P003 116.2(13) . . ?
C043 C030 P003 124.4(12) . . ?
C043 C030 C032 119.0(16) . . ?
C02E C031 H031 117.7 . . ?
C02E C031 C03N 124.6(18) . . ?
C03N C031 H031 117.7 . . ?
C030 C032 H032 119.7 . . ?
C05Y C032 C030 120.6(16) . . ?
C05Y C032 H032 119.7 . . ?
O00Z C033 C01M 120.9(16) . . ?
O00Z C033 C02Q 122.8(18) . . ?
C02Q C033 C01M 116.3(19) . . ?
C03B C034 C048 121.3(16) . . ?
C03B C034 C078 119.7(18) . . ?
C078 C034 C048 119.0(17) . . ?
C04B C035 H035 119.7 . . ?
C04B C035 C062 120.7(16) . . ?
C062 C035 H035 119.7 . . ?
C03C C036 H036 121.7 . . ?
C03C C036 C07B 116.5(18) . . ?
C07B C036 H036 121.7 . . ?
C02T C037 P00A 119.8(15) . . ?
C02T C037 C07W 119.7(19) . . ?
C07W C037 P00A 120.5(14) . . ?
O00Q C038 C07N 107.5(17) . . ?
C05F C038 O00Q 128.3(16) . . ?
C05F C038 C07N 124.1(17) . . ?
C05E C039 H039 119.6 . . ?
C063 C039 H039 119.6 . . ?
C063 C039 C05E 120.7(18) . . ?
C04G C03A H03A 119.9 . . ?
C04T C03A H03A 119.9 . . ?
C04T C03A C04G 120.3(18) . . ?
C022 C03B C03V 120.4(17) . . ?
C034 C03B C022 119.7(15) . . ?
C034 C03B C03V 119.9(16) . . ?
C036 C03C H03C 117.9 . . ?
C03U C03C C036 124.3(17) . . ?
C03U C03C H03C 117.9 . . ?
C029 C03D P006 125.1(13) . . ?
C029 C03D C03I 115.4(16) . . ?
C03I C03D P006 119.0(13) . . ?
O00L C03E O01A 123.2(16) . . ?
O00L C03E C075 118.7(16) . . ?
O01A C03E C075 117.9(17) . . ?
C03Q C03F H03F 120.0 . . ?
C03Q C03F C054 120.0(17) . . ?
C054 C03F H03F 120.0 . . ?
C04V C03G H03G 121.6 . . ?
C06O C03G H03G 121.6 . . ?
C06O C03G C04V 116.9(17) . . ?
C02V C03H H03H 119.8 . . ?
C040 C03H C02V 120.4(17) . . ?
C040 C03H H03H 119.8 . . ?
C03D C03I H03I 117.7 . . ?
C04G C03I C03D 124.6(18) . . ?
C04G C03I H03I 117.7 . . ?
C025 C03J H03J 119.2 . . ?
C02V C03J C025 121.5(17) . . ?
C02V C03J H03J 119.2 . . ?
C04A C03K H03K 119.9 . . ?
C06L C03K H03K 119.9 . . ?
C06L C03K C04A 120.3(16) . . ?
C03S C03L H03L 119.8 . . ?
C03S C03L C056 120.3(16) . . ?
C056 C03L H03L 119.8 . . ?
C02O C03M H03M 123.2 . . ?
C02O C03M C092 114(2) . . ?
C092 C03M H03M 123.2 . . ?
C031 C03N H03N 120.5 . . ?
C07E C03N C031 119(2) . . ?
C07E C03N H03N 120.5 . . ?
C04U C03O C05E 116.4(16) . . ?
C07K C03O C04U 125.7(17) . . ?
C07K C03O C05E 117.9(18) . . ?
O00P C03P O01N 120.0(18) . . ?
O00P C03P C06Z 121.9(19) . . ?
O01N C03P C06Z 118.2(19) . . ?
C01R C03Q H03Q 119.9 . . ?
C03F C03Q C01R 120.2(16) . . ?
C03F C03Q H03Q 119.9 . . ?
C066 C03R H03R 120.2 . . ?
C07B C03R H03R 120.2 . . ?
C07B C03R C066 119.7(16) . . ?
C02B C03S H03S 120.4 . . ?
C03L C03S C02B 119.1(14) . . ?
C03L C03S H03S 120.4 . . ?
O018 C03T C05R 117.7(16) . . ?
C088 C03T O018 121.1(18) . . ?
C088 C03T C05R 120.9(19) . . ?
C03C C03U P005 119.5(12) . . ?
C03C C03U C066 119.8(15) . . ?
C066 C03U P005 120.6(13) . . ?
C03Z C03V C03B 119.0(16) . . ?
C03Z C03V C05E 122.6(16) . . ?
C05E C03V C03B 118.4(16) . . ?
C02G C03W H03W 120.7 . . ?
C02G C03W C064 118.7(19) . . ?
C064 C03W H03W 120.7 . . ?
C01W C03X H03X 118.2 . . ?
C01W C03X C049 123.7(17) . . ?
C049 C03X H03X 118.2 . . ?
C02K C03Y H03Y 118.9 . . ?
C05T C03Y C02K 122.3(18) . . ?
C05T C03Y H03Y 118.9 . . ?
C02W C03Z P00A 118.0(13) . . ?
C03V C03Z P00A 124.9(13) . . ?
C03V C03Z C02W 117.0(15) . . ?
C03H C040 H040 119.5 . . ?
C03H C040 C05X 121.1(17) . . ?
C05X C040 H040 119.5 . . ?
C01R C041 C02J 119.4(16) . . ?
C049 C041 C01R 119.6(16) . . ?
C049 C041 C02J 121.1(16) . . ?
C07J C042 H042 118.9 . . ?
C07J C042 C07O 122(2) . . ?
C07O C042 H042 118.9 . . ?
C01Q C043 C05A 119.4(14) . . ?
C030 C043 C01Q 120.2(14) . . ?
C030 C043 C05A 119.7(15) . . ?
C04F C044 H044 119.8 . . ?
C04X C044 H044 119.8 . . ?
C04X C044 C04F 120.4(19) . . ?
C04B C045 H045 121.7 . . ?
C05J C045 H045 121.7 . . ?
C05J C045 C04B 116.6(16) . . ?
C02Z C046 H046 121.7 . . ?
C02Z C046 C072 116.5(17) . . ?
C072 C046 H046 121.7 . . ?
O00S C047 C06M 121.3(18) . . ?
O00V C047 O00S 118.9(17) . . ?
O00V C047 C06M 119.8(17) . . ?
C034 C048 H048 120.2 . . ?
C04S C048 C034 119.7(17) . . ?
C04S C048 H048 120.2 . . ?
C03X C049 P004 118.3(13) . . ?
C041 C049 P004 123.4(13) . . ?
C041 C049 C03X 117.2(17) . . ?
C01T C04A P009 124.7(13) . . ?
C01T C04A C03K 119.5(16) . . ?
C03K C04A P009 115.4(13) . . ?
C035 C04B C045 122.3(17) . . ?
C035 C04B H04B 118.9 . . ?
C045 C04B H04B 118.9 . . ?
C068 C04C H04C 119.9 . . ?
C068 C04C C075 120.3(17) . . ?
C075 C04C H04C 119.9 . . ?
C02A C04D H04D 121.3 . . ?
C02A C04D C051 117.3(16) . . ?
C051 C04D H04D 121.3 . . ?
C058 C04E P006 122.0(13) . . ?
C06F C04E P006 118.9(14) . . ?
C06F C04E C058 119.1(16) . . ?
C027 C04F H04F 119.4 . . ?
C044 C04F C027 121.2(18) . . ?
C044 C04F H04F 119.4 . . ?
C03A C04G H04G 121.5 . . ?
C03I C04G C03A 116.9(18) . . ?
C03I C04G H04G 121.5 . . ?
C02R C04H H04H 120.1 . . ?
C057 C04H C02R 120(2) . . ?
C057 C04H H04H 120.1 . . ?
C02E C04I H04I 118.7 . . ?
C08T C04I C02E 122.5(18) . . ?
C08T C04I H04I 118.7 . . ?
C04K C04J H04J 119.8 . . ?
C04K C04J C07S 120.3(19) . . ?
C07S C04J H04J 119.8 . . ?
C04J C04K H04K 120.8 . . ?
C04J C04K C06F 118.4(19) . . ?
C06F C04K H04K 120.8 . . ?
C023 C04L H04L 121.1 . . ?
C087 C04L C023 117.7(19) . . ?
C087 C04L H04L 121.1 . . ?
C05S C04M P008 120.3(15) . . ?
C05S C04M C07D 120.7(18) . . ?
C07D C04M P008 119.0(15) . . ?
C02Y C04N H04N 119.0 . . ?
C060 C04N C02Y 122.0(19) . . ?
C060 C04N H04N 119.0 . . ?
C01J C04O H04O 119.2 . . ?
C060 C04O C01J 121.6(19) . . ?
C060 C04O H04O 119.2 . . ?
C05R C04P H04P 120.7 . . ?
C07Y C04P H04P 120.7 . . ?
C07Y C04P C05R 118.6(18) . . ?
C02U C04Q H04Q 120.5 . . ?
C02U C04Q C05N 119.1(17) . . ?
C05N C04Q H04Q 120.5 . . ?
C05N C04R H04R 118.3 . . ?
C05N C04R C06A 123.4(17) . . ?
C06A C04R H04R 118.3 . . ?
C048 C04S H04S 117.8 . . ?
C048 C04S C055 124.4(19) . . ?
C055 C04S H04S 117.8 . . ?
C029 C04T C03A 120.7(18) . . ?
C029 C04T H04T 119.6 . . ?
C03A C04T H04T 119.6 . . ?
C02W C04U C03O 123.5(17) . . ?
C02W C04U H04U 118.3 . . ?
C03O C04U H04U 118.3 . . ?
O013 C04V C03G 124.5(16) . . ?
O013 C04V C05U 115.6(15) . . ?
C05U C04V C03G 119.8(16) . . ?
C053 C04W H04W 121.5 . . ?
C053 C04W C084 117.0(19) . . ?
C084 C04W H04W 121.5 . . ?
C02L C04X H04X 119.3 . . ?
C044 C04X C02L 121.5(19) . . ?
C044 C04X H04X 119.3 . . ?
C073 C04Y H04Y 119.6 . . ?
C07J C04Y H04Y 119.6 . . ?
C07J C04Y C073 121(2) . . ?
C06L C04Z C06I 119.6(19) . . ?
C06L C04Z C06R 120(2) . . ?
C06R C04Z C06I 120.2(17) . . ?
C07T C050 C07M 119.5(18) . . ?
C08E C050 C07M 124.3(17) . . ?
C08E C050 C07T 116.1(18) . . ?
C04D C051 H051 118.8 . . ?
C07F C051 C04D 122.4(18) . . ?
C07F C051 H051 118.8 . . ?
C067 C052 H052 121.1 . . ?
C08B C052 H052 121.1 . . ?
C08B C052 C067 117.8(18) . . ?
C02S C053 H053 119.5 . . ?
C04W C053 C02S 121(2) . . ?
C04W C053 H053 119.5 . . ?
C03F C054 H054 119.4 . . ?
C076 C054 C03F 121.3(18) . . ?
C076 C054 H054 119.4 . . ?
C04S C055 H055 121.8 . . ?
C04S C055 C05V 116.4(19) . . ?
C05V C055 H055 121.8 . . ?
C02I C056 H056 119.5 . . ?
C03L C056 C02I 121.0(17) . . ?
C03L C056 H056 119.5 . . ?
C04H C057 H057 118.2 . . ?
C04H C057 C087 123.7(19) . . ?
C087 C057 H057 118.2 . . ?
C04E C058 H058 120.2 . . ?
C07S C058 C04E 119.6(16) . . ?
C07S C058 H058 120.2 . . ?
C02R C059 H059 118.8 . . ?
C02R C059 C05M 122.4(18) . . ?
C05M C059 H059 118.8 . . ?
C05B C05A C043 121.7(16) . . ?
C05B C05A C06A 122.9(14) . . ?
C06A C05A C043 115.3(15) . . ?
C028 C05B P005 116.7(15) . . ?
C05A C05B P005 126.1(12) . . ?
C05A C05B C028 116.7(16) . . ?
C05L C05C P00A 116.2(13) . . ?
C07P C05C P00A 122.7(15) . . ?
C07P C05C C05L 121.0(15) . . ?
C065 C05D H05D 121.5 . . ?
C06M C05D H05D 121.5 . . ?
C06M C05D C065 117(2) . . ?
C039 C05E C03O 118.6(16) . . ?
C039 C05E C03V 122.6(17) . . ?
C03O C05E C03V 118.8(17) . . ?
C038 C05F C05O 119.4(16) . . ?
C038 C05F C077 122.7(16) . . ?
C05O C05F C077 117.9(16) . . ?
C07H C05G H05G 120.0 . . ?
C08D C05G H05G 120.0 . . ?
C08D C05G C07H 119.9(18) . . ?
O017 C05H C05K 118(2) . . ?
O017 C05H C06K 120.8(19) . . ?
C06K C05H C05K 121(2) . . ?
C01J C05I C02Y 120.0(18) . . ?
C01J C05I H05I 120.0 . . ?
C02Y C05I H05I 120.0 . . ?
C045 C05J H05J 118.1 . . ?
C045 C05J C069 123.7(17) . . ?
C069 C05J H05J 118.1 . . ?
O01F C05K C05H 119(2) . . ?
O01F C05K C081 122(2) . . ?
C081 C05K C05H 118(2) . . ?
C05C C05L H05L 119.9 . . ?
C05C C05L C067 120.1(17) . . ?
C067 C05L H05L 119.9 . . ?
C01O C05M C059 119.5(19) . . ?
C01O C05M H05M 120.3 . . ?
C059 C05M H05M 120.3 . . ?
C04Q C05N H05N 119.3 . . ?
C04R C05N C04Q 121.3(18) . . ?
C04R C05N H05N 119.3 . . ?
C05F C05O H05O 120.5 . . ?
C08F C05O C05F 119.0(17) . . ?
C08F C05O H05O 120.5 . . ?
O012 C05P O014 123.3(16) . . ?
O012 C05P C02I 121.5(16) . . ?
O014 C05P C02I 115.2(17) . . ?
C07D C05Q H05Q 120.9 . . ?
C07D C05Q C07R 118(2) . . ?
C07R C05Q H05Q 120.9 . . ?
O00W C05R C03T 119.1(16) . . ?
O00W C05R C04P 121.8(17) . . ?
C04P C05R C03T 119.0(18) . . ?
C04M C05S H05S 120.3 . . ?
C04M C05S C08J 119.3(19) . . ?
C08J C05S H05S 120.3 . . ?
C02Q C05T H05T 122.1 . . ?
C03Y C05T C02Q 116(2) . . ?
C03Y C05T H05T 122.1 . . ?
O00O C05U C04V 112.0(16) . . ?
C07L C05U O00O 125.3(15) . . ?
C07L C05U C04V 122.6(16) . . ?
C055 C05V H05V 119.0 . . ?
C055 C05V C078 122.0(18) . . ?
C078 C05V H05V 119.0 . . ?
C02T C05W H05W 119.7 . . ?
C08P C05W C02T 121(2) . . ?
C08P C05W H05W 119.7 . . ?
C025 C05X C040 120.6(18) . . ?
C025 C05X H05X 119.7 . . ?
C040 C05X H05X 119.7 . . ?
C02P C05Y H05Y 118.3 . . ?
C032 C05Y C02P 123.4(15) . . ?
C032 C05Y H05Y 118.3 . . ?
O019 C05Z C061 114.0(18) . . ?
C08O C05Z O019 126.4(19) . . ?
C08O C05Z C061 119(2) . . ?
C04N C060 H060 120.6 . . ?
C04O C060 C04N 118.8(18) . . ?
C04O C060 H060 120.6 . . ?
O00T C061 C05Z 111.3(19) . . ?
C06M C061 O00T 127.5(16) . . ?
C06M C061 C05Z 121.2(18) . . ?
C035 C062 C02J 124.4(15) . . ?
C035 C062 C069 119.2(15) . . ?
C069 C062 C02J 116.4(15) . . ?
C039 C063 H063 120.8 . . ?
C039 C063 C089 118.5(19) . . ?
C089 C063 H063 120.8 . . ?
C02X C064 C03W 123.6(19) . . ?
C02X C064 H064 118.2 . . ?
C03W C064 H064 118.2 . . ?
C05D C065 H065 117.1 . . ?
C08O C065 C05D 125.7(19) . . ?
C08O C065 H065 117.1 . . ?
C03R C066 C03U 118.1(17) . . ?
C03R C066 H066 120.9 . . ?
C03U C066 H066 120.9 . . ?
C052 C067 H067 120.6 . . ?
C05L C067 C052 119(2) . . ?
C05L C067 H067 120.6 . . ?
C04C C068 H068 118.8 . . ?
C07X C068 C04C 122.4(19) . . ?
C07X C068 H068 118.8 . . ?
C02C C069 C062 120.7(15) . . ?
C05J C069 C02C 121.8(16) . . ?
C05J C069 C062 117.4(17) . . ?
C04R C06A C020 115.9(16) . . ?
C04R C06A C05A 126.2(16) . . ?
C05A C06A C020 117.6(15) . . ?
C06H C06C P009 116.6(13) . . ?
C08D C06C P009 124.3(15) . . ?
C08D C06C C06H 118.8(16) . . ?
C06X C06D P008 120.8(16) . . ?
C06X C06D C07Z 119.6(19) . . ?
C07Z C06D P008 118.7(18) . . ?
C02N C06E H06E 119.1 . . ?
C084 C06E C02N 121.9(18) . . ?
C084 C06E H06E 119.1 . . ?
C04E C06F C04K 122.0(19) . . ?
C04E C06F H06F 119.0 . . ?
C04K C06F H06F 119.0 . . ?
C06P C06G H06G 119.0 . . ?
C072 C06G H06G 119.0 . . ?
C072 C06G C06P 122.1(17) . . ?
C06C C06H H06H 119.9 . . ?
C07I C06H C06C 120.3(17) . . ?
C07I C06H H06H 119.9 . . ?
C04Z C06I H06I 120.6 . . ?
C07U C06I C04Z 118.8(18) . . ?
C07U C06I H06I 120.6 . . ?
C073 C06J P007 119.5(17) . . ?
C073 C06J C07O 116.9(18) . . ?
C07O C06J P007 123.6(14) . . ?
C05H C06K H06K 120.1 . . ?
C05H C06K C06Y 120(2) . . ?
C06Y C06K H06K 120.1 . . ?
C03K C06L H06L 119.7 . . ?
C04Z C06L C03K 121(2) . . ?
C04Z C06L H06L 119.7 . . ?
C05D C06M C047 121.2(18) . . ?
C061 C06M C047 120.9(17) . . ?
C061 C06M C05D 117.9(17) . . ?
N024 C06N H06A 109.5 . . ?
N024 C06N H06B 109.5 . . ?
N024 C06N H06C 109.5 . . ?
H06A C06N H06B 109.5 . . ?
H06A C06N H06C 109.5 . . ?
H06B C06N H06C 109.5 . . ?
C03G C06O H06O 118.6 . . ?
C03G C06O C08H 122.8(17) . . ?
C08H C06O H06O 118.6 . . ?
C02D C06P H06P 120.5 . . ?
C06G C06P C02D 119.0(18) . . ?
C06G C06P H06P 120.5 . . ?
C022 C06Q H06Q 118.4 . . ?
C06U C06Q C022 123.1(17) . . ?
C06U C06Q H06Q 118.4 . . ?
C04Z C06R C01T 120.6(16) . . ?
C070 C06R C01T 123.8(17) . . ?
C070 C06R C04Z 115.5(18) . . ?
H06D C06S H06J 108.3 . . ?
O08Y C06S H06D 109.9 . . ?
O08Y C06S H06J 109.9 . . ?
O08Y C06S C095 109(2) . . ?
C095 C06S H06D 109.9 . . ?
C095 C06S H06J 109.9 . . ?
O00X C06T C06Z 124.6(16) . . ?
C083 C06T O00X 113.6(18) . . ?
C083 C06T C06Z 121.5(19) . . ?
C06Q C06U H06U 119.5 . . ?
C06Q C06U C078 121.0(16) . . ?
C078 C06U H06U 119.5 . . ?
O011 C06V C07L 118.3(17) . . ?
O01G C06V O011 118.2(19) . . ?
O01G C06V C07L 123.4(18) . . ?
C02F C06W H06W 119.1 . . ?
C08M C06W C02F 122(2) . . ?
C08M C06W H06W 119.1 . . ?
C06D C06X H06X 118.6 . . ?
C06D C06X C07G 123(2) . . ?
C07G C06X H06X 118.6 . . ?
C06K C06Y H06Y 121.2 . . ?
C071 C06Y C06K 118(2) . . ?
C071 C06Y H06Y 121.2 . . ?
C06T C06Z C03P 120.2(17) . . ?
C08I C06Z C03P 122(2) . . ?
C08I C06Z C06T 117(2) . . ?
C06R C070 H070 116.9 . . ?
C085 C070 C06R 126.3(18) . . ?
C085 C070 H070 116.9 . . ?
C06Y C071 H071 118.9 . . ?
C081 C071 C06Y 122(3) . . ?
C081 C071 H071 118.9 . . ?
C046 C072 H072 119.2 . . ?
C06G C072 C046 121.6(18) . . ?
C06G C072 H072 119.2 . . ?
C04Y C073 C06J 123(2) . . ?
C04Y C073 H073 118.5 . . ?
C06J C073 H073 118.5 . . ?
O01I C074 C079 115.4(18) . . ?
O01I C074 C07X 124.7(18) . . ?
C07X C074 C079 119.9(18) . . ?
C04C C075 C03E 119.7(17) . . ?
C079 C075 C03E 122.5(17) . . ?
C079 C075 C04C 117.8(17) . . ?
C01V C076 H076 120.1 . . ?
C054 C076 C01V 119.8(17) . . ?
C054 C076 H076 120.1 . . ?
O00Y C077 C05F 117.8(16) . . ?
O01H C077 O00Y 122.6(16) . . ?
O01H C077 C05F 119.6(16) . . ?
C034 C078 C05V 118.3(18) . . ?
C06U C078 C034 119.6(18) . . ?
C06U C078 C05V 122.1(16) . . ?
O00U C079 C074 112.3(16) . . ?
O00U C079 C075 127.0(16) . . ?
C075 C079 C074 120.6(19) . . ?
C036 C07B H07B 119.4 . . ?
C03R C07B C036 121.3(16) . . ?
C03R C07B H07B 119.4 . . ?
C02G C07C H07C 119.8 . . ?
C08C C07C C02G 120.3(19) . . ?
C08C C07C H07C 119.8 . . ?
C04M C07D H07D 119.0 . . ?
C05Q C07D C04M 122.0(19) . . ?
C05Q C07D H07D 119.0 . . ?
C03N C07E H07E 119.4 . . ?
C03N C07E C08T 121.2(17) . . ?
C08T C07E H07E 119.4 . . ?
C02P C07F H07F 119.9 . . ?
C051 C07F C02P 120.1(15) . . ?
C051 C07F H07F 119.9 . . ?
C06X C07G H07G 120.9 . . ?
C08V C07G C06X 118(2) . . ?
C08V C07G H07G 120.9 . . ?
C05G C07H H07H 119.4 . . ?
C07I C07H C05G 121.2(19) . . ?
C07I C07H H07H 119.4 . . ?
C06H C07I H07I 120.7 . . ?
C07H C07I C06H 118.7(19) . . ?
C07H C07I H07I 120.7 . . ?
C042 C07J H07J 120.3 . . ?
C04Y C07J C042 119.5(19) . . ?
C04Y C07J H07J 120.3 . . ?
C03O C07K H07K 118.8 . . ?
C089 C07K C03O 122.3(19) . . ?
C089 C07K H07K 118.8 . . ?
C05U C07L C06V 123.9(16) . . ?
C05U C07L C08H 118.8(16) . . ?
C08H C07L C06V 117.3(17) . . ?
O010 C07M C050 119.5(18) . . ?
O015 C07M O010 120.0(19) . . ?
O015 C07M C050 120.5(16) . . ?
O01U C07N C038 119.8(17) . . ?
O01U C07N C08W 126(2) . . ?
C038 C07N C08W 114(2) . . ?
C042 C07O C06J 118(2) . . ?
C042 C07O H07O 121.2 . . ?
C06J C07O H07O 121.2 . . ?
C05C C07P H07P 121.4 . . ?
C08B C07P C05C 117(2) . . ?
C08B C07P H07P 121.4 . . ?
C02M O07Q H07Q 109.5 . . ?
C05Q C07R H07R 121.1 . . ?
C08J C07R C05Q 118(2) . . ?
C08J C07R H07R 121.1 . . ?
C04J C07S H07S 119.8 . . ?
C058 C07S C04J 120.4(18) . . ?
C058 C07S H07S 119.8 . . ?
C050 C07T H07T 119.8 . . ?
C07V C07T C050 120(2) . . ?
C07V C07T H07T 119.8 . . ?
C06I C07U H07U 119.4 . . ?
C06I C07U C085 121.2(18) . . ?
C085 C07U H07U 119.4 . . ?
C07T C07V H07V 118.7 . . ?
C07T C07V C08N 122.6(19) . . ?
C08N C07V H07V 118.7 . . ?
C037 C07W H07W 120.4 . . ?
C037 C07W C08X 119(2) . . ?
C08X C07W H07W 120.4 . . ?
C068 C07X C074 118.9(18) . . ?
C068 C07X H07X 120.5 . . ?
C074 C07X H07X 120.5 . . ?
C04P C07Y H07Y 119.7 . . ?
C08R C07Y C04P 120.7(18) . . ?
C08R C07Y H07Y 119.7 . . ?
C06D C07Z H07Z 121.5 . . ?
C06D C07Z C08A 117(2) . . ?
C08A C07Z H07Z 121.5 . . ?
C05K C081 H081 119.3 . . ?
C071 C081 C05K 121(2) . . ?
C071 C081 H081 119.3 . . ?
O01Y C082 C08E 113.7(16) . . ?
O01Y C082 C08N 129(2) . . ?
C08N C082 C08E 117(2) . . ?
O01E C083 C06T 116.4(18) . . ?
O01E C083 C099 123.3(19) . . ?
C06T C083 C099 120(2) . . ?
C04W C084 H084 119.5 . . ?
C06E C084 C04W 121.0(19) . . ?
C06E C084 H084 119.5 . . ?
C070 C085 C07U 117.7(18) . . ?
C070 C085 H085 121.1 . . ?
C07U C085 H085 121.1 . . ?
N024 C086 H08E 109.5 . . ?
N024 C086 H08G 109.5 . . ?
N024 C086 H08K 109.5 . . ?
H08E C086 H08G 109.5 . . ?
H08E C086 H08K 109.5 . . ?
H08G C086 H08K 109.5 . . ?
C04L C087 H087 119.8 . . ?
C057 C087 C04L 120(2) . . ?
C057 C087 H087 119.8 . . ?
C03T C088 H088 120.7 . . ?
C03T C088 C08R 119(2) . . ?
C08R C088 H088 120.7 . . ?
C063 C089 H089 119.0 . . ?
C07K C089 C063 121.9(19) . . ?
C07K C089 H089 119.0 . . ?
C07Z C08A H08A 118.7 . . ?
C08V C08A C07Z 123(2) . . ?
C08V C08A H08A 118.7 . . ?
C052 C08B C07P 125(2) . . ?
C052 C08B H08B 117.5 . . ?
C07P C08B H08B 117.5 . . ?
C02X C08C C07C 119.4(18) . . ?
C02X C08C H08C 120.3 . . ?
C07C C08C H08C 120.3 . . ?
C05G C08D C06C 120.7(19) . . ?
C05G C08D H08D 119.6 . . ?
C06C C08D H08D 119.6 . . ?
O01C C08E C082 111.5(18) . . ?
C050 C08E O01C 124.7(17) . . ?
C050 C08E C082 123.9(18) . . ?
C05O C08F H08F 118.6 . . ?
C05O C08F C08W 122.9(17) . . ?
C08W C08F H08F 118.6 . . ?
C06O C08H C07L 118.9(18) . . ?
C06O C08H H08H 120.6 . . ?
C07L C08H H08H 120.6 . . ?
C06Z C08I H08I 119.5 . . ?
C06Z C08I C090 121(2) . . ?
C090 C08I H08I 119.5 . . ?
C05S C08J C07R 122(2) . . ?
C05S C08J H08J 119.0 . . ?
C07R C08J H08J 119.0 . . ?
O01B C08K O07A 123(3) . . ?
O01B C08K C08Z 122(3) . . ?
O07A C08K C08Z 115(3) . . ?
O016 C08L C08Q 114(2) . . ?
O016 C08L C08Z 121(2) . . ?
C08Q C08L C08Z 125(2) . . ?
C06W C08M H08M 120.8 . . ?
C06W C08M C092 118(2) . . ?
C092 C08M H08M 120.8 . . ?
C07V C08N H08N 120.1 . . ?
C082 C08N C07V 120(2) . . ?
C082 C08N H08N 120.1 . . ?
C05Z C08O H08O 120.5 . . ?
C065 C08O C05Z 119(2) . . ?
C065 C08O H08O 120.5 . . ?
C05W C08P H08P 120.5 . . ?
C05W C08P C08X 119(2) . . ?
C08X C08P H08P 120.5 . . ?
O01D C08Q C08L 115.1(19) . . ?
O01D C08Q C08U 128(3) . . ?
C08L C08Q C08U 116(3) . . ?
C07Y C08R C088 122(2) . . ?
C07Y C08R H08R 119.0 . . ?
C088 C08R H08R 119.0 . . ?
C02M C08S H08L 109.5 . . ?
C02M C08S H08Q 109.5 . . ?
C02M C08S H08S 109.5 . . ?
H08L C08S H08Q 109.5 . . ?
H08L C08S H08S 109.5 . . ?
H08Q C08S H08S 109.5 . . ?
C04I C08T C07E 116.5(19) . . ?
C04I C08T H08T 121.7 . . ?
C07E C08T H08T 121.7 . . ?
C08Q C08U H08U 117.5 . . ?
C096 C08U C08Q 125(3) . . ?
C096 C08U H08U 117.5 . . ?
C07G C08V H08V 120.3 . . ?
C08A C08V C07G 119.4(19) . . ?
C08A C08V H08V 120.3 . . ?
C07N C08W H08W 120.0 . . ?
C08F C08W C07N 120.0(19) . . ?
C08F C08W H08W 120.0 . . ?
C07W C08X H08X 120.2 . . ?
C08P C08X C07W 120(2) . . ?
C08P C08X H08X 120.2 . . ?
C06S O08Y H08Y 109.5 . . ?
C08L C08Z C08K 124(2) . . ?
C098 C08Z C08K 124(3) . . ?
C098 C08Z C08L 112(3) . . ?
C08I C090 H090 119.1 . . ?
C099 C090 C08I 122(2) . . ?
C099 C090 H090 119.1 . . ?
C03M C092 H092 117.9 . . ?
C08M C092 C03M 124(2) . . ?
C08M C092 H092 117.9 . . ?
C06S C095 H09A 109.5 . . ?
C06S C095 H09B 109.5 . . ?
C06S C095 H09C 109.5 . . ?
H09A C095 H09B 109.5 . . ?
H09A C095 H09C 109.5 . . ?
H09B C095 H09C 109.5 . . ?
C08U C096 H096 121.4 . . ?
C08U C096 C098 117(3) . . ?
C098 C096 H096 121.4 . . ?
C08Z C098 C096 124(3) . . ?
C08Z C098 H098 117.9 . . ?
C096 C098 H098 117.9 . . ?
C083 C099 H099 121.2 . . ?
C090 C099 C083 118(2) . . ?
C090 C099 H099 121.2 . . ?
H1C O1 H1D 109.4 . . ?
C3 N0AA H0AA 114.6 . . ?
C3 N0AA C9 113.2(18) . . ?
C9 N0AA H0AA 114.1 . . ?
N0AA C3 H3A 109.5 . . ?
N0AA C3 H3B 109.5 . . ?
N0AA C3 H3C 109.5 . . ?
H3A C3 H3B 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
N0AA C9 H9A 109.5 . . ?
N0AA C9 H9B 109.5 . . ?
N0AA C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
H0AB O0AA H0AC 109.4 . . ?
H1A N1 H1B 107.5 . . ?
C4 N1 H1A 108.5 . . ?
C4 N1 H1B 108.5 . . ?
C6 N1 H1A 108.5 . . ?
C6 N1 H1B 108.5 . . ?
C6 N1 C4 115(2) . . ?
N1 C4 H4A 109.5 . . ?
N1 C4 H4B 109.5 . . ?
N1 C4 H4C 109.5 . . ?
H4A C4 H4B 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
N1 C6 H6A 109.5 . . ?
N1 C6 H6B 109.5 . . ?
N1 C6 H6C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Ag01 P004 C02N C02S -1.8(16) . . . . ?
Ag01 P004 C02N C06E -179.5(13) . . . . ?
Ag01 P004 C02Z C02D -171.1(13) . . . . ?
Ag01 P004 C02Z C046 11.3(17) . . . . ?
Ag01 P004 C049 C03X -96.2(14) . . . . ?
Ag01 P004 C049 C041 72.3(15) . . . . ?
Ag01 P007 C025 C03J -167.4(13) . . . . ?
Ag01 P007 C025 C05X 7.4(14) . . . . ?
Ag01 P007 C026 C01X -97.0(13) . . . . ?
Ag01 P007 C026 C02J 77.4(17) . . . . ?
Ag01 P007 C06J C073 -14.3(16) . . . . ?
Ag01 P007 C06J C07O 167.1(12) . . . . ?
Ag01 P008 C01O C01L 75.7(14) . . . . ?
Ag01 P008 C01O C05M -95.7(13) . . . . ?
Ag01 P008 C04M C05S -168.1(11) . . . . ?
Ag01 P008 C04M C07D 12.8(16) . . . . ?
Ag01 P008 C06D C06X 45.7(17) . . . . ?
Ag01 P008 C06D C07Z -123.4(15) . . . . ?
Ag01 P009 C02O C02F -12.4(18) . . . . ?
Ag01 P009 C02O C03M 171.6(12) . . . . ?
Ag01 P009 C04A C01T 71.3(15) . . . . ?
Ag01 P009 C04A C03K -101.9(11) . . . . ?
Ag01 P009 C06C C06H 29.6(15) . . . . ?
Ag01 P009 C06C C08D -156.2(13) . . . . ?
Ag02 P003 C01J C04O 20.8(14) . . . . ?
Ag02 P003 C01J C05I -162.9(12) . . . . ?
Ag02 P003 C02E C031 -1.5(16) . . . . ?
Ag02 P003 C02E C04I 179.5(13) . . . . ?
Ag02 P003 C030 C032 -100.3(14) . . . . ?
Ag02 P003 C030 C043 72.5(16) . . . . ?
Ag02 P005 C02G C03W -162.1(12) . . . . ?
Ag02 P005 C02G C07C 26.5(15) . . . . ?
Ag02 P005 C03U C03C -13.3(15) . . . . ?
Ag02 P005 C03U C066 162.9(11) . . . . ?
Ag02 P005 C05B C028 -98.3(12) . . . . ?
Ag02 P005 C05B C05A 73.2(16) . . . . ?
Ag02 P006 C022 C03B 77.1(15) . . . . ?
Ag02 P006 C022 C06Q -93.2(14) . . . . ?
Ag02 P006 C03D C029 -158.4(14) . . . . ?
Ag02 P006 C03D C03I 12.9(16) . . . . ?
Ag02 P006 C04E C058 -157.0(11) . . . . ?
Ag02 P006 C04E C06F 22.6(17) . . . . ?
Ag02 P00A C037 C02T 2.8(17) . . . . ?
Ag02 P00A C037 C07W -178.0(14) . . . . ?
Ag02 P00A C03Z C02W -97.6(13) . . . . ?
Ag02 P00A C03Z C03V 78.3(16) . . . . ?
Ag02 P00A C05C C05L -21.0(17) . . . . ?
Ag02 P00A C05C C07P 162.9(15) . . . . ?
P003 C01J C04O C060 -179.9(13) . . . . ?
P003 C01J C05I C02Y -179.4(12) . . . . ?
P003 C02E C031 C03N -174.8(15) . . . . ?
P003 C02E C04I C08T 172.2(15) . . . . ?
P003 C030 C032 C05Y 176.2(15) . . . . ?
P003 C030 C043 C01Q -176.7(14) . . . . ?
P003 C030 C043 C05A 13(2) . . . . ?
P004 C02N C02S C053 -175.6(16) . . . . ?
P004 C02N C06E C084 176.8(15) . . . . ?
P004 C02Z C046 C072 177.7(14) . . . . ?
P005 C02G C03W C064 -172.8(13) . . . . ?
P005 C02G C07C C08C 173.1(14) . . . . ?
P005 C03U C066 C03R 179.2(12) . . . . ?
P006 C022 C03B C034 -170.5(14) . . . . ?
P006 C022 C03B C03V 9(2) . . . . ?
P006 C022 C06Q C06U 166.3(16) . . . . ?
P006 C03D C03I C04G -174.0(15) . . . . ?
P006 C04E C058 C07S -179.7(13) . . . . ?
P006 C04E C06F C04K 176.2(15) . . . . ?
P007 C025 C03J C02V 179.4(13) . . . . ?
P007 C025 C05X C040 -176.3(12) . . . . ?
P007 C026 C02J C041 3(3) . . . . ?
P007 C026 C02J C062 -179.3(14) . . . . ?
P007 C06J C073 C04Y -173.8(14) . . . . ?
P007 C06J C07O C042 174.8(13) . . . . ?
P008 C01O C05M C059 173.6(13) . . . . ?
P008 C04M C05S C08J -179.6(13) . . . . ?
P008 C04M C07D C05Q -178.2(14) . . . . ?
P008 C06D C06X C07G -174.0(15) . . . . ?
P008 C06D C07Z C08A 174.0(15) . . . . ?
P009 C02O C03M C092 170.0(14) . . . . ?
P009 C06C C06H C07I 177.9(14) . . . . ?
P009 C06C C08D C05G -178.2(13) . . . . ?
P00A C037 C07W C08X -177.4(16) . . . . ?
P00A C05C C05L C067 -173.2(13) . . . . ?
P00A C05C C07P C08B 176.2(16) . . . . ?
Al0B Al0D O00J C027 176.1(17) . . . . ?
Al0B Al0D O00M C01M 166.9(16) . . . . ?
Al0B Al0D O00P C03P 125.1(15) . . . . ?
Al0B Al0D O011 C06V 130.8(14) . . . . ?
Al0B O00J C027 C01S -85.1(19) . . . . ?
Al0B O00J C027 C04F 96.8(18) . . . . ?
Al0B O00K C021 C02B 179.1(11) . . . . ?
Al0B O00K C021 C02I -4(2) . . . . ?
Al0B O00M C01M C02K 87.7(19) . . . . ?
Al0B O00M C01M C033 -90.4(17) . . . . ?
Al0B O00S C047 O00V -173.8(13) . . . . ?
Al0B O00S C047 C06M 7(3) . . . . ?
Al0B O00T C061 C05Z 157.6(14) . . . . ?
Al0B O00T C061 C06M -23(3) . . . . ?
Al0B O014 C05P O012 176.8(12) . . . . ?
Al0B O014 C05P C02I -5(3) . . . . ?
Al0C O00K C021 C02B -7.9(17) . . . . ?
Al0C O00K C021 C02I 168.8(13) . . . . ?
Al0C O00N C02B C021 6.5(18) . . . . ?
Al0C O00N C02B C03S -169.6(13) . . . . ?
Al0C O00O C05U C04V 8.0(19) . . . . ?
Al0C O00O C05U C07L -173.0(15) . . . . ?
Al0C O00R C01S C027 -25(2) . . . . ?
Al0C O00R C01S C02L 160.3(13) . . . . ?
Al0C O013 C04V C03G 173.2(16) . . . . ?
Al0C O013 C04V C05U -7(2) . . . . ?
Al0D Al0B O00J C027 -176.4(16) . . . . ?
Al0D Al0B O00K Al0C -34.6(6) . . . . ?
Al0D Al0B O00K C021 137.5(12) . . . . ?
Al0D Al0B O00S C047 -108.5(15) . . . . ?
Al0D Al0B O014 C05P -87.3(17) . . . . ?
Al0D O00J C027 C01S 99.6(19) . . . . ?
Al0D O00J C027 C04F -78.5(19) . . . . ?
Al0D O00M C01M C02K -76(2) . . . . ?
Al0D O00M C01M C033 105.8(15) . . . . ?
Al0D O00O C05U C04V -148.0(13) . . . . ?
Al0D O00O C05U C07L 31(2) . . . . ?
Al0D O00P C03P O01N 164.8(15) . . . . ?
Al0D O00P C03P C06Z -16(3) . . . . ?
Al0D O00X C06T C06Z 25(2) . . . . ?
Al0D O00X C06T C083 -148.7(14) . . . . ?
Al0D O011 C06V O01G 158.1(14) . . . . ?
Al0D O011 C06V C07L -25(3) . . . . ?
Al0E Al0F O00W C05R 170.6(17) . . . . ?
Al0E Al0F O010 C07M 120.9(15) . . . . ?
Al0E Al0F O017 C05H 171(2) . . . . ?
Al0E Al0F O01B C08K 117(2) . . . . ?
Al0E O00L C03E O01A -152.7(12) . . . . ?
Al0E O00L C03E C075 32(2) . . . . ?
Al0E O00Q C038 C05F -16(3) . . . . ?
Al0E O00Q C038 C07N 161.9(14) . . . . ?
Al0E O00U C079 C074 167.2(12) . . . . ?
Al0E O00U C079 C075 -16(2) . . . . ?
Al0E O00W C05R C03T -96.1(17) . . . . ?
Al0E O00W C05R C04P 85.3(18) . . . . ?
Al0E O00Y C077 O01H -160.2(15) . . . . ?
Al0E O00Y C077 C05F 18(3) . . . . ?
Al0E O017 C05H C05K -96.2(18) . . . . ?
Al0E O017 C05H C06K 86(2) . . . . ?
Al0F Al0E O00L C03E -124.0(13) . . . . ?
Al0F Al0E O00W C05R -170.5(17) . . . . ?
Al0F Al0E O00Y C077 -117.1(16) . . . . ?
Al0F Al0E O017 C05H -171.9(19) . . . . ?
Al0F O00W C05R C03T 95.6(16) . . . . ?
Al0F O00W C05R C04P -83(2) . . . . ?
Al0F O010 C07M O015 161.3(14) . . . . ?
Al0F O010 C07M C050 -19(3) . . . . ?
Al0F O016 C08L C08Q -153.8(14) . . . . ?
Al0F O016 C08L C08Z 25(2) . . . . ?
Al0F O017 C05H C05K 95(2) . . . . ?
Al0F O017 C05H C06K -84(2) . . . . ?
Al0F O01B C08K O07A 167.9(18) . . . . ?
Al0F O01B C08K C08Z -13(4) . . . . ?
Al0F O01C C08E C050 27(3) . . . . ?
Al0F O01C C08E C082 -152.5(16) . . . . ?
Al0G O00T C061 C05Z -3(2) . . . . ?
Al0G O00T C061 C06M 176.3(18) . . . . ?
Al0G O00X C06T C06Z -179.8(16) . . . . ?
Al0G O00X C06T C083 6(2) . . . . ?
Al0G O00Z C033 C01M -9(3) . . . . ?
Al0G O00Z C033 C02Q 169.8(15) . . . . ?
Al0G O019 C05Z C061 -7(2) . . . . ?
Al0G O019 C05Z C08O 180(2) . . . . ?
Al0G O01E C083 C06T -4(2) . . . . ?
Al0G O01E C083 C099 177.4(18) . . . . ?
Al0H O00Q C038 C05F 176.0(18) . . . . ?
Al0H O00Q C038 C07N -6(2) . . . . ?
Al0H O016 C08L C08Q 7(2) . . . . ?
Al0H O016 C08L C08Z -173.8(16) . . . . ?
Al0H O018 C03T C05R -1(2) . . . . ?
Al0H O018 C03T C088 173.5(14) . . . . ?
Al0H O01D C08Q C08L -3(2) . . . . ?
Al0H O01D C08Q C08U 176.6(19) . . . . ?
Al0H O01U C07N C038 3(3) . . . . ?
Al0H O01U C07N C08W 179(2) . . . . ?
Al0I O00U C079 C074 -0.8(18) . . . . ?
Al0I O00U C079 C075 176.4(15) . . . . ?
Al0I O01C C08E C050 -173.6(17) . . . . ?
Al0I O01C C08E C082 7(2) . . . . ?
Al0I O01F C05K C05H -8(3) . . . . ?
Al0I O01F C05K C081 177.6(16) . . . . ?
Al0I O01I C074 C079 1(2) . . . . ?
Al0I O01I C074 C07X -179.9(16) . . . . ?
Al0I O01Y C082 C08E -3(3) . . . . ?
Al0I O01Y C082 C08N 171(2) . . . . ?
O00J Al0B O00K Al0C 4.0(7) . . . . ?
O00J Al0B O00K C021 176.1(12) . . . . ?
O00J Al0B O00S C047 -112.5(16) . . . . ?
O00J Al0D O00M Al0B -1.2(5) . . . . ?
O00J Al0D O00M C01M 165.7(14) . . . . ?
O00J Al0D O00P C03P 131.4(16) . . . . ?
O00J C027 C04F C044 -179.7(17) . . . . ?
O00K Al0B O00J Al0D -90.9(6) . . . . ?
O00K Al0B O00J C027 92.7(14) . . . . ?
O00K Al0B O00S C047 162.4(15) . . . . ?
O00K Al0B O014 C05P 0.7(17) . . . . ?
O00K Al0C O00N C02B -8.5(11) . . . . ?
O00K Al0C O00O Al0D -49.6(8) . . . . ?
O00K Al0C O00O C05U 156.7(11) . . . . ?
O00K Al0C O00R C01S 76.1(14) . . . . ?
O00K Al0C O013 C04V -61(3) . . . . ?
O00K C021 C02B O00N 2(2) . . . . ?
O00K C021 C02B C03S 177.7(14) . . . . ?
O00K C021 C02I C056 -179.2(15) . . . . ?
O00K C021 C02I C05P -1(3) . . . . ?
O00L Al0E O00W Al0F 176.4(6) . . . . ?
O00L Al0E O00W C05R 5.9(14) . . . . ?
O00L Al0E O00Y C077 62.8(17) . . . . ?
O00L C03E C075 C04C 170.6(16) . . . . ?
O00L C03E C075 C079 -9(3) . . . . ?
O00M Al0B O00J Al0D -1.2(5) . . . . ?
O00M Al0B O00J C027 -177.7(14) . . . . ?
O00M Al0B O00K Al0C -73.3(7) . . . . ?
O00M Al0B O00K C021 98.8(12) . . . . ?
O00M Al0B O014 C05P -88.0(17) . . . . ?
O00M Al0D O00J Al0B 1.2(5) . . . . ?
O00M Al0D O00J C027 177.4(15) . . . . ?
O00M Al0D O011 C06V 134.2(15) . . . . ?
O00M C01M C02K C03Y -179.6(15) . . . . ?
O00M C01M C033 O00Z -3(2) . . . . ?
O00M C01M C033 C02Q 178.0(16) . . . . ?
O00N Al0C O00O Al0D -130.8(8) . . . . ?
O00N Al0C O00O C05U 75.4(13) . . . . ?
O00N Al0C O00R C01S 160.6(13) . . . . ?
O00N Al0C O013 C04V -120.0(12) . . . . ?
O00N C02B C03S C03L 177.9(15) . . . . ?
O00O Al0C O00N C02B 76.3(12) . . . . ?
O00O Al0C O00R C01S -17.4(15) . . . . ?
O00O Al0C O013 C04V 9.4(12) . . . . ?
O00O Al0D O00J Al0B 93.8(6) . . . . ?
O00O Al0D O00J C027 -90.0(15) . . . . ?
O00O Al0D O00M Al0B -85.7(6) . . . . ?
O00O Al0D O00M C01M 81.2(14) . . . . ?
O00O Al0D O00P C03P -143.5(16) . . . . ?
O00O Al0D O011 C06V 42.6(16) . . . . ?
O00O C05U C07L C06V -1(3) . . . . ?
O00O C05U C07L C08H 177.7(17) . . . . ?
O00P Al0D O00J Al0B -172.7(6) . . . . ?
O00P Al0D O00J C027 3.4(15) . . . . ?
O00P Al0D O011 C06V -51.2(16) . . . . ?
O00P C03P C06Z C06T -15(3) . . . . ?
O00P C03P C06Z C08I 172(2) . . . . ?
O00Q Al0E O00L C03E 149.3(14) . . . . ?
O00Q Al0E O00W Al0F -92.2(6) . . . . ?
O00Q Al0E O00W C05R 97.3(14) . . . . ?
O00Q Al0E O00Y C077 -29.4(17) . . . . ?
O00Q Al0E O017 Al0F 82.8(6) . . . . ?
O00Q Al0E O017 C05H -89.1(16) . . . . ?
O00Q Al0H O018 C03T 48.8(17) . . . . ?
O00Q Al0H O01D C08Q -69(2) . . . . ?
O00Q Al0H O01U C07N -5.0(18) . . . . ?
O00Q C038 C05F C05O 179.6(19) . . . . ?
O00Q C038 C05F C077 -3(3) . . . . ?
O00Q C038 C07N O01U 2(3) . . . . ?
O00Q C038 C07N C08W -175(2) . . . . ?
O00R Al0C O00N C02B -101.5(11) . . . . ?
O00R Al0C O00O Al0D 46.9(10) . . . . ?
O00R Al0C O00O C05U -106.9(11) . . . . ?
O00R Al0C O013 C04V 126.6(12) . . . . ?
O00R C01S C027 O00J 3(2) . . . . ?
O00R C01S C027 C04F -178.8(14) . . . . ?
O00R C01S C02L C04X 179.5(15) . . . . ?
O00S Al0B O00J Al0D 175.2(5) . . . . ?
O00S Al0B O00J C027 -1.2(14) . . . . ?
O00S Al0B O00K Al0C 98.1(8) . . . . ?
O00S Al0B O00K C021 -89.8(12) . . . . ?
O00S Al0B O014 C05P 95.2(17) . . . . ?
O00S C047 C06M C05D -171.1(18) . . . . ?
O00S C047 C06M C061 10(3) . . . . ?
O00T Al0B O00J Al0D 82.5(6) . . . . ?
O00T Al0B O00J C027 -94.0(13) . . . . ?
O00T Al0B O00S C047 -23.3(16) . . . . ?
O00T Al0B O014 C05P -171.8(17) . . . . ?
O00T Al0G O00Z C033 60.3(18) . . . . ?
O00T Al0G O019 C05Z 3.9(15) . . . . ?
O00T Al0G O01E C083 -61(2) . . . . ?
O00T C061 C06M C047 0(3) . . . . ?
O00T C061 C06M C05D -179.2(18) . . . . ?
O00U Al0E O00L C03E -37.2(14) . . . . ?
O00U Al0E O00W Al0F 83.8(6) . . . . ?
O00U Al0E O00W C05R -86.6(14) . . . . ?
O00U Al0E O00Y C077 155.5(17) . . . . ?
O00U Al0E O017 Al0F -91.5(6) . . . . ?
O00U Al0E O017 C05H 96.6(16) . . . . ?
O00U Al0I O01F C05K 54.7(19) . . . . ?
O00U Al0I O01I C074 -1.5(15) . . . . ?
O00U Al0I O01Y C082 -66(3) . . . . ?
O00V C047 C06M C05D 10(3) . . . . ?
O00V C047 C06M C061 -169.0(19) . . . . ?
O00W Al0E O00L C03E -127.1(14) . . . . ?
O00W Al0E O017 Al0F -0.4(6) . . . . ?
O00W Al0E O017 C05H -172.3(16) . . . . ?
O00W Al0F O010 C07M 123.4(16) . . . . ?
O00W Al0F O017 Al0E 0.4(6) . . . . ?
O00W Al0F O017 C05H 171.4(18) . . . . ?
O00X Al0D O00J Al0B -82.3(6) . . . . ?
O00X Al0D O00J C027 93.9(15) . . . . ?
O00X Al0D O00M Al0B 92.6(6) . . . . ?
O00X Al0D O00M C01M -100.5(14) . . . . ?
O00X Al0D O00P C03P 38.8(16) . . . . ?
O00X Al0D O011 C06V -141.6(16) . . . . ?
O00X Al0G O00Z C033 -31.6(19) . . . . ?
O00X Al0G O019 C05Z 81.9(18) . . . . ?
O00X Al0G O01E C083 5.5(14) . . . . ?
O00X C06T C06Z C03P 9(3) . . . . ?
O00X C06T C06Z C08I -177.9(19) . . . . ?
O00X C06T C083 O01E -2(3) . . . . ?
O00X C06T C083 C099 177.2(19) . . . . ?
O00Y Al0E O00L C03E 56.1(14) . . . . ?
O00Y Al0E O017 Al0F 175.9(6) . . . . ?
O00Y Al0E O017 C05H 4.0(16) . . . . ?
O00Z Al0G O019 C05Z -98.4(16) . . . . ?
O00Z Al0G O01E C083 118.7(14) . . . . ?
O010 Al0F O00W Al0E -177.0(6) . . . . ?
O010 Al0F O00W C05R -6.4(15) . . . . ?
O010 Al0F O01B C08K -64(2) . . . . ?
O011 Al0D O00M Al0B -176.1(6) . . . . ?
O011 Al0D O00M C01M -9.2(14) . . . . ?
O011 Al0D O00P C03P -52.9(16) . . . . ?
O011 C06V C07L C05U -4(3) . . . . ?
O011 C06V C07L C08H 177.1(18) . . . . ?
O013 Al0C O00N C02B 159.0(11) . . . . ?
O013 Al0C O00O Al0D 144.1(9) . . . . ?
O013 Al0C O00O C05U -9.7(11) . . . . ?
O013 Al0C O00R C01S -105.9(14) . . . . ?
O013 C04V C05U O00O -1(2) . . . . ?
O013 C04V C05U C07L -179.7(17) . . . . ?
O014 Al0B O00K Al0C -168.0(7) . . . . ?
O014 Al0B O00K C021 4.0(13) . . . . ?
O014 Al0B O00S C047 69.0(16) . . . . ?
O016 Al0F O00W Al0E 91.8(6) . . . . ?
O016 Al0F O00W C05R -97.6(14) . . . . ?
O016 Al0F O010 C07M -151.3(16) . . . . ?
O016 Al0F O017 Al0E -84.4(7) . . . . ?
O016 Al0F O017 C05H 86.6(18) . . . . ?
O016 Al0F O01B C08K 28(2) . . . . ?
O016 Al0H O018 C03T -46.3(17) . . . . ?
O016 Al0H O01D C08Q 5.4(14) . . . . ?
O016 Al0H O01U C07N 74(2) . . . . ?
O016 C08L C08Q O01D -3(3) . . . . ?
O016 C08L C08Q C08U 177.3(18) . . . . ?
O016 C08L C08Z C08K -2(3) . . . . ?
O016 C08L C08Z C098 -176.3(19) . . . . ?
O017 Al0E O00W Al0F 0.4(6) . . . . ?
O017 Al0E O00W C05R -170.1(14) . . . . ?
O017 Al0E O00Y C077 -120.7(16) . . . . ?
O017 Al0F O00W Al0E -0.4(6) . . . . ?
O017 Al0F O00W C05R 170.3(14) . . . . ?
O017 Al0F O01B C08K 120(2) . . . . ?
O017 C05H C05K O01F 4(3) . . . . ?
O017 C05H C05K C081 179.1(18) . . . . ?
O017 C05H C06K C06Y 178.6(18) . . . . ?
O018 Al0H O01D C08Q 113.1(14) . . . . ?
O018 Al0H O01U C07N -111.2(18) . . . . ?
O018 C03T C05R O00W 0(2) . . . . ?
O018 C03T C05R C04P 178.8(15) . . . . ?
O018 C03T C088 C08R -176.0(17) . . . . ?
O019 Al0G O00Z C033 148.7(17) . . . . ?
O019 Al0G O01E C083 -135.1(14) . . . . ?
O019 C05Z C061 O00T 6(3) . . . . ?
O019 C05Z C061 C06M -173.3(19) . . . . ?
O019 C05Z C08O C065 172(2) . . . . ?
O01A C03E C075 C04C -5(2) . . . . ?
O01A C03E C075 C079 175.8(16) . . . . ?
O01B Al0F O010 C07M -58.4(17) . . . . ?
O01B Al0F O017 Al0E -177.2(8) . . . . ?
O01B Al0F O017 C05H -6.2(19) . . . . ?
O01B C08K C08Z C08L -6(4) . . . . ?
O01B C08K C08Z C098 168(3) . . . . ?
O01C Al0F O00W Al0E -85.2(6) . . . . ?
O01C Al0F O00W C05R 85.5(14) . . . . ?
O01C Al0F O010 C07M 33.0(17) . . . . ?
O01C Al0F O017 Al0E 91.8(7) . . . . ?
O01C Al0F O017 C05H -97.2(18) . . . . ?
O01C Al0F O01B C08K -155(2) . . . . ?
O01C Al0I O01F C05K -39(2) . . . . ?
O01C Al0I O01I C074 80.0(17) . . . . ?
O01C Al0I O01Y C082 5.9(19) . . . . ?
O01D Al0H O018 C03T -132.2(16) . . . . ?
O01D Al0H O01U C07N 146.9(18) . . . . ?
O01D C08Q C08U C096 -179(2) . . . . ?
O01E Al0G O00Z C033 -119.5(17) . . . . ?
O01E Al0G O019 C05Z 160.9(16) . . . . ?
O01E C083 C099 C090 180(2) . . . . ?
O01F Al0I O01I C074 -103.6(15) . . . . ?
O01F Al0I O01Y C082 116.3(19) . . . . ?
O01F C05K C081 C071 176(2) . . . . ?
O01G C06V C07L C05U 173(2) . . . . ?
O01G C06V C07L C08H -6(3) . . . . ?
O01I Al0I O01F C05K 143.1(18) . . . . ?
O01I Al0I O01Y C082 -135(2) . . . . ?
O01I C074 C079 O00U 0(2) . . . . ?
O01I C074 C079 C075 -177.7(17) . . . . ?
O01I C074 C07X C068 177.2(19) . . . . ?
C01J P003 C02E C031 124.4(15) . . . . ?
C01J P003 C02E C04I -54.7(16) . . . . ?
C01J P003 C030 C032 135.3(14) . . . . ?
C01J P003 C030 C043 -51.8(17) . . . . ?
C01J C04O C060 C04N -4(3) . . . . ?
C01L C01O C05M C059 2(3) . . . . ?
C01L C01T C04A P009 3(2) . . . . ?
C01L C01T C04A C03K 176.2(14) . . . . ?
C01L C01T C06R C04Z -178.8(14) . . . . ?
C01L C01T C06R C070 4(2) . . . . ?
C01L C023 C02R C04H 178.5(16) . . . . ?
C01L C023 C02R C059 0(2) . . . . ?
C01L C023 C04L C087 -178.9(15) . . . . ?
C01M C02K C03Y C05T 2(3) . . . . ?
O01N C03P C06Z C06T 164(2) . . . . ?
O01N C03P C06Z C08I -9(3) . . . . ?
C01O P008 C04M C05S -48.3(15) . . . . ?
C01O P008 C04M C07D 132.5(14) . . . . ?
C01O P008 C06D C06X -73.6(18) . . . . ?
C01O P008 C06D C07Z 117.3(15) . . . . ?
C01O C01L C01T C04A -76(2) . . . . ?
C01O C01L C01T C06R 102.2(19) . . . . ?
C01O C01L C023 C02R 3(2) . . . . ?
C01O C01L C023 C04L -171.8(14) . . . . ?
C01P C020 C02U C04Q 176.3(16) . . . . ?
C01P C020 C06A C04R -177.5(14) . . . . ?
C01P C020 C06A C05A -3(2) . . . . ?
C01P C028 C05B P005 175.7(13) . . . . ?
C01P C028 C05B C05A 3(2) . . . . ?
C01Q C02A C04D C051 2(3) . . . . ?
C01Q C02P C05Y C032 -4(3) . . . . ?
C01Q C02P C07F C051 2(3) . . . . ?
C01Q C043 C05A C05B 110.0(19) . . . . ?
C01Q C043 C05A C06A -68(2) . . . . ?
C01R C01V C01W C03X -1(2) . . . . ?
C01R C01V C076 C054 2(2) . . . . ?
C01R C041 C049 P004 -173.6(12) . . . . ?
C01R C041 C049 C03X -5(2) . . . . ?
C01S C027 C04F C044 2(3) . . . . ?
C01S C02L C04X C044 -3(3) . . . . ?
C01T C01L C01O P008 8(2) . . . . ?
C01T C01L C01O C05M 178.4(16) . . . . ?
C01T C01L C023 C02R -179.4(15) . . . . ?
C01T C01L C023 C04L 6(2) . . . . ?
C01T C06R C070 C085 177.1(17) . . . . ?
O01U Al0H O018 C03T 137.1(16) . . . . ?
O01U Al0H O01D C08Q -141.0(15) . . . . ?
O01U C07N C08W C08F 177(3) . . . . ?
C01V C01R C03Q C03F 0(2) . . . . ?
C01V C01R C041 C02J -175.3(14) . . . . ?
C01V C01R C041 C049 5(2) . . . . ?
C01V C01W C03X C049 1(2) . . . . ?
C01W C01V C076 C054 179.5(16) . . . . ?
C01W C03X C049 P004 171.6(13) . . . . ?
C01W C03X C049 C041 2(3) . . . . ?
C01X C026 C02J C041 177.1(17) . . . . ?
C01X C026 C02J C062 -5(3) . . . . ?
C01X C02C C069 C05J 179.1(17) . . . . ?
C01X C02C C069 C062 2(3) . . . . ?
O01Y Al0I O01F C05K -126.2(19) . . . . ?
O01Y Al0I O01I C074 154.0(15) . . . . ?
O01Y C082 C08E O01C -3(3) . . . . ?
O01Y C082 C08E C050 178(2) . . . . ?
O01Y C082 C08N C07V -178(3) . . . . ?
C020 C01P C028 C05B 3(3) . . . . ?
C020 C02U C04Q C05N 4(3) . . . . ?
C021 C02B C03S C03L 2(2) . . . . ?
C021 C02I C056 C03L 1(2) . . . . ?
C021 C02I C05P O012 -176.4(17) . . . . ?
C021 C02I C05P O014 5(3) . . . . ?
C022 P006 C03D C029 86.5(17) . . . . ?
C022 P006 C03D C03I -102.2(15) . . . . ?
C022 P006 C04E C058 -35.8(15) . . . . ?
C022 P006 C04E C06F 143.9(14) . . . . ?
C022 C03B C03V C03Z -76(2) . . . . ?
C022 C03B C03V C05E 103(2) . . . . ?
C022 C06Q C06U C078 4(3) . . . . ?
C023 C01L C01O P008 -174.7(12) . . . . ?
C023 C01L C01O C05M -4(2) . . . . ?
C023 C01L C01T C04A 105.9(18) . . . . ?
C023 C01L C01T C06R -75.4(19) . . . . ?
C023 C02R C04H C057 4(3) . . . . ?
C023 C02R C059 C05M -2(2) . . . . ?
C023 C04L C087 C057 -3(3) . . . . ?
C025 P007 C026 C01X 140.1(13) . . . . ?
C025 P007 C026 C02J -45.6(19) . . . . ?
C025 P007 C06J C073 111.4(15) . . . . ?
C025 P007 C06J C07O -67.2(16) . . . . ?
C026 P007 C025 C03J -47.9(16) . . . . ?
C026 P007 C025 C05X 126.9(13) . . . . ?
C026 P007 C06J C073 -136.5(15) . . . . ?
C026 P007 C06J C07O 44.8(17) . . . . ?
C026 C01X C02C C069 -1(3) . . . . ?
C026 C02J C041 C01R 105(2) . . . . ?
C026 C02J C041 C049 -75(2) . . . . ?
C026 C02J C062 C035 -175.1(18) . . . . ?
C026 C02J C062 C069 6(3) . . . . ?
C027 C01S C02L C04X 5(3) . . . . ?
C028 C01P C020 C02U 175.2(16) . . . . ?
C028 C01P C020 C06A -3(2) . . . . ?
C029 C03D C03I C04G -2(3) . . . . ?
C02A C01Q C02P C05Y 177.5(15) . . . . ?
C02A C01Q C02P C07F 1(3) . . . . ?
C02A C01Q C043 C030 -173.3(16) . . . . ?
C02A C01Q C043 C05A -3(3) . . . . ?
C02A C04D C051 C07F 1(3) . . . . ?
C02B C021 C02I C056 -3(2) . . . . ?
C02B C021 C02I C05P 175.6(16) . . . . ?
C02C C01X C026 P007 177.1(13) . . . . ?
C02C C01X C026 C02J 3(3) . . . . ?
C02D C02Z C046 C072 0(3) . . . . ?
C02E P003 C01J C04O -107.2(13) . . . . ?
C02E P003 C01J C05I 69.1(15) . . . . ?
C02E P003 C030 C032 26.9(16) . . . . ?
C02E P003 C030 C043 -160.3(15) . . . . ?
C02E C031 C03N C07E -3(3) . . . . ?
C02E C04I C08T C07E 8(3) . . . . ?
C02F C02O C03M C092 -6(3) . . . . ?
C02F C06W C08M C092 -3(3) . . . . ?
C02G P005 C03U C03C 120.4(14) . . . . ?
C02G P005 C03U C066 -63.4(14) . . . . ?
C02G P005 C05B C028 132.6(13) . . . . ?
C02G P005 C05B C05A -55.9(17) . . . . ?
C02G C03W C064 C02X 2(3) . . . . ?
C02G C07C C08C C02X -2(3) . . . . ?
C02I C021 C02B O00N -175.1(15) . . . . ?
C02I C021 C02B C03S 1(3) . . . . ?
C02J C041 C049 P004 6(2) . . . . ?
C02J C041 C049 C03X 174.9(14) . . . . ?
C02J C062 C069 C02C -4(3) . . . . ?
C02J C062 C069 C05J 178.4(16) . . . . ?
C02K C01M C033 O00Z 178.5(17) . . . . ?
C02K C01M C033 C02Q 0(3) . . . . ?
C02K C03Y C05T C02Q 0(3) . . . . ?
C02L C01S C027 O00J 177.7(17) . . . . ?
C02L C01S C027 C04F -4(3) . . . . ?
C02N P004 C02Z C02D 61.9(17) . . . . ?
C02N P004 C02Z C046 -115.7(15) . . . . ?
C02N P004 C049 C03X 27.5(16) . . . . ?
C02N P004 C049 C041 -164.1(15) . . . . ?
C02N C02S C053 C04W -2(3) . . . . ?
C02N C06E C084 C04W -1(3) . . . . ?
C02O P009 C04A C01T -159.0(14) . . . . ?
C02O P009 C04A C03K 27.8(14) . . . . ?
C02O P009 C06C C06H -98.6(14) . . . . ?
C02O P009 C06C C08D 75.7(16) . . . . ?
C02O C02F C06W C08M -3(3) . . . . ?
C02O C03M C092 C08M 1(3) . . . . ?
C02P C01Q C02A C04D -2(3) . . . . ?
C02P C01Q C043 C030 1(3) . . . . ?
C02P C01Q C043 C05A 171.7(16) . . . . ?
C02R C023 C04L C087 6(2) . . . . ?
C02R C04H C057 C087 1(3) . . . . ?
C02R C059 C05M C01O 1(3) . . . . ?
C02S C02N C06E C084 -1(3) . . . . ?
C02T C037 C07W C08X 2(3) . . . . ?
C02T C05W C08P C08X -3(3) . . . . ?
C02U C020 C06A C04R 4(2) . . . . ?
C02U C020 C06A C05A 178.4(15) . . . . ?
C02U C04Q C05N C04R -1(3) . . . . ?
C02V C03H C040 C05X 0(3) . . . . ?
C02Y C04N C060 C04O 4(3) . . . . ?
C02Z P004 C02N C02S 126.3(15) . . . . ?
C02Z P004 C02N C06E -51.4(17) . . . . ?
C02Z P004 C049 C03X 137.6(14) . . . . ?
C02Z P004 C049 C041 -54.0(17) . . . . ?
C02Z C02D C06P C06G -2(3) . . . . ?
C02Z C046 C072 C06G -1(3) . . . . ?
C030 P003 C01J C04O 141.7(12) . . . . ?
C030 P003 C01J C05I -42.0(15) . . . . ?
C030 P003 C02E C031 -123.1(14) . . . . ?
C030 P003 C02E C04I 57.9(17) . . . . ?
C030 C032 C05Y C02P 1(3) . . . . ?
C030 C043 C05A C05B -80(2) . . . . ?
C030 C043 C05A C06A 102.6(19) . . . . ?
C031 C02E C04I C08T -7(3) . . . . ?
C031 C03N C07E C08T 4(3) . . . . ?
C032 C030 C043 C01Q -4(3) . . . . ?
C032 C030 C043 C05A -174.4(17) . . . . ?
C033 C01M C02K C03Y -2(3) . . . . ?
C033 C02Q C05T C03Y -2(3) . . . . ?
C034 C03B C03V C03Z 103(2) . . . . ?
C034 C03B C03V C05E -77(2) . . . . ?
C034 C048 C04S C055 -1(3) . . . . ?
C035 C062 C069 C02C 176.9(17) . . . . ?
C035 C062 C069 C05J -1(3) . . . . ?
C036 C03C C03U P005 -177.7(14) . . . . ?
C036 C03C C03U C066 6(3) . . . . ?
C037 P00A C03Z C02W 136.2(14) . . . . ?
C037 P00A C03Z C03V -47.9(17) . . . . ?
C037 P00A C05C C05L 100.7(15) . . . . ?
C037 P00A C05C C07P -75.4(18) . . . . ?
C037 C02T C05W C08P 4(3) . . . . ?
C037 C07W C08X C08P 0(3) . . . . ?
C038 C05F C05O C08F -4(3) . . . . ?
C038 C05F C077 O00Y 4(3) . . . . ?
C038 C05F C077 O01H -178(2) . . . . ?
C038 C07N C08W C08F -7(4) . . . . ?
C039 C063 C089 C07K -2(3) . . . . ?
C03B C022 C06Q C06U -5(3) . . . . ?
C03B C034 C048 C04S -175.7(19) . . . . ?
C03B C034 C078 C05V 174.3(16) . . . . ?
C03B C034 C078 C06U -6(3) . . . . ?
C03B C03V C03Z P00A -1(2) . . . . ?
C03B C03V C03Z C02W 174.8(16) . . . . ?
C03B C03V C05E C039 7(3) . . . . ?
C03B C03V C05E C03O -174.6(16) . . . . ?
C03C C036 C07B C03R 3(3) . . . . ?
C03C C03U C066 C03R -5(2) . . . . ?
C03D P006 C022 C03B -161.8(14) . . . . ?
C03D P006 C022 C06Q 27.8(16) . . . . ?
C03D P006 C04E C058 75.0(15) . . . . ?
C03D P006 C04E C06F -105.4(15) . . . . ?
C03D C029 C04T C03A 1(3) . . . . ?
C03D C03I C04G C03A 3(3) . . . . ?
C03E C075 C079 O00U 2(3) . . . . ?
C03E C075 C079 C074 178.9(16) . . . . ?
C03F C054 C076 C01V -1(3) . . . . ?
C03G C04V C05U O00O 178.9(17) . . . . ?
C03G C04V C05U C07L 0(3) . . . . ?
C03G C06O C08H C07L -2(3) . . . . ?
C03H C02V C03J C025 -6(3) . . . . ?
C03H C040 C05X C025 -1(3) . . . . ?
C03J C025 C05X C040 -1(2) . . . . ?
C03J C02V C03H C040 4(2) . . . . ?
C03N C07E C08T C04I -6(3) . . . . ?
C03O C07K C089 C063 1(3) . . . . ?
C03P C06Z C08I C090 176(2) . . . . ?
C03Q C01R C01V C01W -178.9(15) . . . . ?
C03Q C01R C01V C076 -1(2) . . . . ?
C03Q C01R C041 C02J 2(2) . . . . ?
C03Q C01R C041 C049 -177.7(16) . . . . ?
C03Q C03F C054 C076 0(3) . . . . ?
C03S C03L C056 C02I 2(3) . . . . ?
C03T C088 C08R C07Y -2(3) . . . . ?
C03U P005 C02G C03W 66.6(16) . . . . ?
C03U P005 C02G C07C -104.9(13) . . . . ?
C03U P005 C05B C028 27.3(15) . . . . ?
C03U P005 C05B C05A -161.2(15) . . . . ?
C03W C02G C07C C08C 1(3) . . . . ?
C03Z P00A C037 C02T 127.9(15) . . . . ?
C03Z P00A C037 C07W -52.8(18) . . . . ?
C03Z P00A C05C C05L -145.0(15) . . . . ?
C03Z P00A C05C C07P 39.0(19) . . . . ?
C03Z C02W C04U C03O 5(3) . . . . ?
C03Z C03V C05E C039 -174.0(17) . . . . ?
C03Z C03V C05E C03O 5(3) . . . . ?
C041 C01R C01V C01W -1(2) . . . . ?
C041 C01R C01V C076 176.6(15) . . . . ?
C041 C01R C03Q C03F -177.8(16) . . . . ?
C041 C02J C062 C035 3(2) . . . . ?
C041 C02J C062 C069 -176.1(16) . . . . ?
C043 C01Q C02A C04D 172.4(17) . . . . ?
C043 C01Q C02P C05Y 3(2) . . . . ?
C043 C01Q C02P C07F -174.3(17) . . . . ?
C043 C030 C032 C05Y 3(3) . . . . ?
C043 C05A C05B P005 1(2) . . . . ?
C043 C05A C05B C028 172.3(15) . . . . ?
C043 C05A C06A C020 -172.1(14) . . . . ?
C043 C05A C06A C04R 1(2) . . . . ?
C045 C05J C069 C02C -177.5(19) . . . . ?
C045 C05J C069 C062 0(3) . . . . ?
C048 C034 C03B C022 -175.5(17) . . . . ?
C048 C034 C03B C03V 5(3) . . . . ?
C048 C034 C078 C05V -5(3) . . . . ?
C048 C034 C078 C06U 174.5(16) . . . . ?
C048 C04S C055 C05V -1(3) . . . . ?
C049 P004 C02N C02S -123.7(15) . . . . ?
C049 P004 C02N C06E 58.6(16) . . . . ?
C049 P004 C02Z C02D -47.5(17) . . . . ?
C049 P004 C02Z C046 134.9(15) . . . . ?
C04A P009 C02O C02F -137.3(16) . . . . ?
C04A P009 C02O C03M 46.7(16) . . . . ?
C04A P009 C06C C06H 152.5(13) . . . . ?
C04A P009 C06C C08D -33.2(16) . . . . ?
C04A C01T C06R C04Z 0(2) . . . . ?
C04A C01T C06R C070 -177.0(15) . . . . ?
C04A C03K C06L C04Z 0(3) . . . . ?
C04B C035 C062 C02J 179.1(17) . . . . ?
C04B C035 C062 C069 -2(3) . . . . ?
C04B C045 C05J C069 3(3) . . . . ?
C04C C068 C07X C074 2(3) . . . . ?
C04C C075 C079 O00U -177.5(17) . . . . ?
C04C C075 C079 C074 -1(3) . . . . ?
C04D C051 C07F C02P -3(3) . . . . ?
C04E P006 C022 C03B -55.1(16) . . . . ?
C04E P006 C022 C06Q 134.6(14) . . . . ?
C04E P006 C03D C029 -24.7(18) . . . . ?
C04E P006 C03D C03I 146.7(14) . . . . ?
C04E C058 C07S C04J 1(2) . . . . ?
C04F C044 C04X C02L 2(3) . . . . ?
C04G C03A C04T C029 0(3) . . . . ?
C04H C02R C059 C05M 179.7(17) . . . . ?
C04H C057 C087 C04L -1(3) . . . . ?
C04I C02E C031 C03N 4(3) . . . . ?
C04J C04K C06F C04E 6(3) . . . . ?
C04K C04J C07S C058 1(3) . . . . ?
C04L C023 C02R C04H -7(2) . . . . ?
C04L C023 C02R C059 174.8(14) . . . . ?
C04M P008 C01O C01L -52.6(15) . . . . ?
C04M P008 C01O C05M 135.9(14) . . . . ?
C04M P008 C06D C06X 178.8(16) . . . . ?
C04M P008 C06D C07Z 9.7(17) . . . . ?
C04M C05S C08J C07R -1(3) . . . . ?
C04N C02Y C05I C01J 3(2) . . . . ?
C04O C01J C05I C02Y -3(2) . . . . ?
C04P C07Y C08R C088 3(3) . . . . ?
C04S C055 C05V C078 -1(3) . . . . ?
C04T C029 C03D P006 171.4(14) . . . . ?
C04T C029 C03D C03I 0(3) . . . . ?
C04T C03A C04G C03I -2(3) . . . . ?
C04U C02W C03Z P00A 175.8(14) . . . . ?
C04U C02W C03Z C03V 0(3) . . . . ?
C04U C03O C05E C039 178.7(16) . . . . ?
C04U C03O C05E C03V 0(2) . . . . ?
C04U C03O C07K C089 -178.3(18) . . . . ?
C04V C03G C06O C08H -1(3) . . . . ?
C04V C05U C07L C06V 177.5(19) . . . . ?
C04V C05U C07L C08H -3(3) . . . . ?
C04X C044 C04F C027 -1(3) . . . . ?
C04Z C06I C07U C085 -4(3) . . . . ?
C04Z C06R C070 C085 0(3) . . . . ?
C050 C07T C07V C08N 0(4) . . . . ?
C053 C04W C084 C06E 1(3) . . . . ?
C054 C03F C03Q C01R 1(3) . . . . ?
C055 C05V C078 C034 4(3) . . . . ?
C055 C05V C078 C06U -176.0(17) . . . . ?
C056 C02I C05P O012 2(3) . . . . ?
C056 C02I C05P O014 -176.5(15) . . . . ?
C056 C03L C03S C02B -3(2) . . . . ?
C058 C04E C06F C04K -4(3) . . . . ?
C059 C02R C04H C057 -178.2(17) . . . . ?
C05B P005 C02G C03W -41.8(16) . . . . ?
C05B P005 C02G C07C 146.7(13) . . . . ?
C05B P005 C03U C03C -132.8(14) . . . . ?
C05B P005 C03U C066 43.4(15) . . . . ?
C05B C05A C06A C020 10(2) . . . . ?
C05B C05A C06A C04R -176.3(16) . . . . ?
C05C P00A C037 C02T -121.7(15) . . . . ?
C05C P00A C037 C07W 57.5(17) . . . . ?
C05C P00A C03Z C02W 29.8(16) . . . . ?
C05C P00A C03Z C03V -154.3(15) . . . . ?
C05C C05L C067 C052 -3(3) . . . . ?
C05C C07P C08B C052 -4(3) . . . . ?
C05D C065 C08O C05Z 1(4) . . . . ?
C05E C039 C063 C089 2(3) . . . . ?
C05E C03O C04U C02W -5(3) . . . . ?
C05E C03O C07K C089 0(3) . . . . ?
C05E C03V C03Z P00A 179.6(14) . . . . ?
C05E C03V C03Z C02W -4(3) . . . . ?
C05F C038 C07N O01U -180(2) . . . . ?
C05F C038 C07N C08W 4(4) . . . . ?
C05F C05O C08F C08W 0(4) . . . . ?
C05G C07H C07I C06H -6(3) . . . . ?
C05H C05K C081 C071 1(3) . . . . ?
C05H C06K C06Y C071 3(3) . . . . ?
C05I C01J C04O C060 4(2) . . . . ?
C05I C02Y C04N C060 -4(3) . . . . ?
C05J C045 C04B C035 -6(3) . . . . ?
C05K C05H C06K C06Y 1(3) . . . . ?
C05L C05C C07P C08B 0(3) . . . . ?
C05N C04R C06A C020 -2(2) . . . . ?
C05N C04R C06A C05A -175.6(17) . . . . ?
C05O C05F C077 O00Y -178.8(18) . . . . ?
C05O C05F C077 O01H 0(3) . . . . ?
C05O C08F C08W C07N 5(5) . . . . ?
C05P C02I C056 C03L -177.1(15) . . . . ?
C05Q C07R C08J C05S 0(3) . . . . ?
C05R C03T C088 C08R -1(3) . . . . ?
C05R C04P C07Y C08R 0(3) . . . . ?
C05S C04M C07D C05Q 3(3) . . . . ?
C05T C02Q C033 O00Z -176.6(18) . . . . ?
C05T C02Q C033 C01M 2(3) . . . . ?
C05U C07L C08H C06O 5(3) . . . . ?
C05W C02T C037 P00A 175.3(15) . . . . ?
C05W C02T C037 C07W -4(3) . . . . ?
C05W C08P C08X C07W 1(3) . . . . ?
C05X C025 C03J C02V 4(2) . . . . ?
C05Y C02P C07F C051 -174.7(18) . . . . ?
C05Z C061 C06M C047 178.8(19) . . . . ?
C05Z C061 C06M C05D 0(3) . . . . ?
C061 C05Z C08O C065 -1(4) . . . . ?
C062 C02J C041 C01R -73(2) . . . . ?
C062 C02J C041 C049 107.2(19) . . . . ?
C062 C035 C04B C045 5(3) . . . . ?
C063 C039 C05E C03O -1(3) . . . . ?
C063 C039 C05E C03V 177.2(18) . . . . ?
C064 C02X C08C C07C 3(3) . . . . ?
C065 C05D C06M C047 -179.3(19) . . . . ?
C065 C05D C06M C061 -1(3) . . . . ?
C066 C03R C07B C036 -2(3) . . . . ?
C067 C052 C08B C07P 5(3) . . . . ?
C068 C04C C075 C03E 178.8(17) . . . . ?
C068 C04C C075 C079 -2(3) . . . . ?
C06A C020 C02U C04Q -5(2) . . . . ?
C06A C04R C05N C04Q 0(3) . . . . ?
C06A C05A C05B P005 178.4(13) . . . . ?
C06A C05A C05B C028 -10(2) . . . . ?
C06C P009 C02O C02F 114.4(16) . . . . ?
C06C P009 C02O C03M -61.7(16) . . . . ?
C06C P009 C04A C01T -55.4(15) . . . . ?
C06C P009 C04A C03K 131.5(12) . . . . ?
C06C C06H C07I C07H 2(3) . . . . ?
C06D P008 C01O C01L -160.9(14) . . . . ?
C06D P008 C01O C05M 27.7(16) . . . . ?
C06D P008 C04M C05S 62.7(15) . . . . ?
C06D P008 C04M C07D -116.5(15) . . . . ?
C06D C06X C07G C08V 3(3) . . . . ?
C06D C07Z C08A C08V -3(3) . . . . ?
C06E C02N C02S C053 2(3) . . . . ?
C06F C04E C058 C07S 1(2) . . . . ?
C06H C06C C08D C05G -4(3) . . . . ?
C06I C04Z C06L C03K -179.4(15) . . . . ?
C06I C04Z C06R C01T 179.6(15) . . . . ?
C06I C04Z C06R C070 -3(2) . . . . ?
C06I C07U C085 C070 1(3) . . . . ?
C06J P007 C025 C03J 63.6(16) . . . . ?
C06J P007 C025 C05X -121.5(14) . . . . ?
C06J P007 C026 C01X 31.6(16) . . . . ?
C06J P007 C026 C02J -154.0(17) . . . . ?
C06K C05H C05K O01F -177.8(18) . . . . ?
C06K C05H C05K C081 -3(3) . . . . ?
C06K C06Y C071 C081 -5(3) . . . . ?
C06L C03K C04A P009 176.3(12) . . . . ?
C06L C03K C04A C01T 3(2) . . . . ?
C06L C04Z C06I C07U -177.5(17) . . . . ?
C06L C04Z C06R C01T 3(3) . . . . ?
C06L C04Z C06R C070 179.8(16) . . . . ?
C06M C05D C065 C08O 0(4) . . . . ?
C06O C03G C04V O013 -178.1(17) . . . . ?
C06O C03G C04V C05U 2(3) . . . . ?
C06P C02D C02Z P004 -176.1(14) . . . . ?
C06P C02D C02Z C046 1(3) . . . . ?
C06P C06G C072 C046 0(3) . . . . ?
C06Q C022 C03B C034 0(2) . . . . ?
C06Q C022 C03B C03V 179.7(16) . . . . ?
C06Q C06U C078 C034 1(3) . . . . ?
C06Q C06U C078 C05V -178.7(18) . . . . ?
C06R C01T C04A P009 -175.4(12) . . . . ?
C06R C01T C04A C03K -3(2) . . . . ?
C06R C04Z C06I C07U 6(3) . . . . ?
C06R C04Z C06L C03K -2(3) . . . . ?
C06R C070 C085 C07U 1(3) . . . . ?
C06T C06Z C08I C090 3(3) . . . . ?
C06T C083 C099 C090 0(3) . . . . ?
C06V C07L C08H C06O -176.3(18) . . . . ?
C06W C02F C02O P009 -168.8(15) . . . . ?
C06W C02F C02O C03M 7(3) . . . . ?
C06W C08M C092 C03M 3(4) . . . . ?
C06X C06D C07Z C08A 5(3) . . . . ?
C06X C07G C08V C08A 0(3) . . . . ?
C06Y C071 C081 C05K 3(4) . . . . ?
C06Z C06T C083 O01E -176.2(18) . . . . ?
C06Z C06T C083 C099 3(3) . . . . ?
C06Z C08I C090 C099 1(4) . . . . ?
C072 C06G C06P C02D 2(3) . . . . ?
C073 C04Y C07J C042 0(3) . . . . ?
C073 C06J C07O C042 -4(2) . . . . ?
C075 C04C C068 C07X 1(3) . . . . ?
C076 C01V C01W C03X -179.3(15) . . . . ?
C077 C05F C05O C08F 178(2) . . . . ?
C078 C034 C03B C022 5(3) . . . . ?
C078 C034 C03B C03V -174.6(16) . . . . ?
C078 C034 C048 C04S 4(3) . . . . ?
C079 C074 C07X C068 -4(3) . . . . ?
O07A C08K C08Z C08L 172(2) . . . . ?
O07A C08K C08Z C098 -13(4) . . . . ?
C07B C036 C03C C03U -5(3) . . . . ?
C07B C03R C066 C03U 3(2) . . . . ?
C07C C02G C03W C064 -1(3) . . . . ?
C07D C04M C05S C08J 0(3) . . . . ?
C07D C05Q C07R C08J 2(3) . . . . ?
C07F C02P C05Y C032 172.9(19) . . . . ?
C07H C05G C08D C06C 0(3) . . . . ?
C07J C042 C07O C06J 1(3) . . . . ?
C07J C04Y C073 C06J -3(3) . . . . ?
C07K C03O C04U C02W 173.4(18) . . . . ?
C07K C03O C05E C039 0(3) . . . . ?
C07K C03O C05E C03V -178.4(16) . . . . ?
C07M C050 C07T C07V -178(2) . . . . ?
C07M C050 C08E O01C -3(3) . . . . ?
C07M C050 C08E C082 176(2) . . . . ?
C07N C038 C05F C05O 2(3) . . . . ?
C07N C038 C05F C077 179(2) . . . . ?
C07O C042 C07J C04Y 1(3) . . . . ?
C07O C06J C073 C04Y 5(3) . . . . ?
C07P C05C C05L C067 3(3) . . . . ?
C07R C05Q C07D C04M -3(3) . . . . ?
C07S C04J C04K C06F -5(3) . . . . ?
C07T C050 C07M O010 173.3(19) . . . . ?
C07T C050 C07M O015 -7(3) . . . . ?
C07T C050 C08E O01C -179.6(19) . . . . ?
C07T C050 C08E C082 0(3) . . . . ?
C07T C07V C08N C082 3(4) . . . . ?
C07X C074 C079 O00U -179.1(17) . . . . ?
C07X C074 C079 C075 4(3) . . . . ?
C07Y C04P C05R O00W 175.6(15) . . . . ?
C07Y C04P C05R C03T -3(3) . . . . ?
C07Z C06D C06X C07G -5(3) . . . . ?
C07Z C08A C08V C07G 0(4) . . . . ?
C083 C06T C06Z C03P -177.6(19) . . . . ?
C083 C06T C06Z C08I -4(3) . . . . ?
C084 C04W C053 C02S 0(3) . . . . ?
C088 C03T C05R O00W -174.7(15) . . . . ?
C088 C03T C05R C04P 4(3) . . . . ?
C08B C052 C067 C05L -1(3) . . . . ?
C08C C02X C064 C03W -3(3) . . . . ?
C08D C05G C07H C07I 5(3) . . . . ?
C08D C06C C06H C07I 3(3) . . . . ?
C08E C050 C07M O010 -3(3) . . . . ?
C08E C050 C07M O015 177(2) . . . . ?
C08E C050 C07T C07V -1(3) . . . . ?
C08E C082 C08N C07V -4(4) . . . . ?
C08I C090 C099 C083 -2(4) . . . . ?
C08K C08Z C098 C096 -177(3) . . . . ?
C08L C08Q C08U C096 1(4) . . . . ?
C08L C08Z C098 C096 -3(4) . . . . ?
C08N C082 C08E O01C -177(2) . . . . ?
C08N C082 C08E C050 3(4) . . . . ?
C08O C05Z C061 O00T -180(2) . . . . ?
C08O C05Z C061 C06M 1(3) . . . . ?
C08Q C08L C08Z C08K 177(2) . . . . ?
C08Q C08L C08Z C098 3(3) . . . . ?
C08Q C08U C096 C098 -1(4) . . . . ?
C08U C096 C098 C08Z 2(4) . . . . ?
C08Z C08L C08Q O01D 177.9(19) . . . . ?
C08Z C08L C08Q C08U -2(3) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.214 -0.145 0.339 165.3 33.5 ?
2 0.052 0.229 0.115 7.1 0.0 ?
3 -0.214 0.355 0.661 165.3 33.0 ?
4 -0.052 0.729 0.885 7.1 0.0 ?
5 0.151 0.428 0.299 13.5 0.0 ?
6 0.244 0.515 0.843 163.4 22.4 ?
7 0.188 0.188 0.469 7.1 0.0 ?
8 0.277 0.927 0.875 9.6 0.0 ?
9 0.382 0.573 0.087 8.9 0.5 ?
10 0.756 0.015 0.157 163.4 21.9 ?
11 0.618 0.073 0.913 8.9 0.5 ?
12 0.723 0.427 0.125 9.6 0.0 ?
13 0.812 0.687 0.531 7.1 0.0 ?
14 0.849 0.928 0.701 13.5 0.0 ?

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 7.306
_oxdiff_exptl_absorpt_empirical_full_min 0.234
# start Validation Reply Form
_vrf_THETM01_AlOC-170R           
;
PROBLEM: The value of sine(theta_max)/wavelength is less than 0.550
RESPONSE: This is due to the lack of high-angle diffractions,which not 
 affect the accuracy of structure.
;
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_AlOC-174
_database_code_depnum_ccdc_archive 'CCDC 2303398'
loop_
_audit_author_name
_audit_author_address
'Fan Yang'
;UCAS
China
;
_audit_update_record             
;
2023-12-08 deposited with the CCDC.	2024-07-17 downloaded from the CCDC.
;
_audit_creation_date             2023-11-03
_audit_creation_method           
;
Olex2 1.5-beta
(compiled 2023.08.24 svn.re1ec1418 for OlexSys, GUI svn.r6817)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'C214 H200 Ag6 Al4 O20 P12, 2(Cl O4), 2(C3 H7 N O)'
_chemical_formula_sum            'C220 H214 Ag6 Al4 Cl2 N2 O30 P12'
_chemical_formula_weight         4563.60
_chemical_melting_point          ?
_chemical_oxdiff_formula         'Al Ag C H O N P Cl '
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0147 0.0070 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag 0.0957 3.3549 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Al Al 0.1763 0.1843 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3292 0.5397 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0253 0.0135 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0412 0.0250 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2594 0.3349 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   17.2507(2)
_cell_length_b                   18.2402(3)
_cell_length_c                   19.1425(3)
_cell_angle_alpha                66.449(2)
_cell_angle_beta                 72.9580(10)
_cell_angle_gamma                69.9380(10)
_cell_volume                     5100.72(15)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    43762
_cell_measurement_temperature    100.00(10)
_cell_measurement_theta_max      59.9200
_cell_measurement_theta_min      2.3810
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    4.241
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  1.00000
_exptl_absorpt_correction_type   sphere
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.115a (Rigaku Oxford Diffraction, 2021)
Spherical absorption correction
using equivalent radius and absorption coefficient.
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.486
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       sphere
_exptl_crystal_F_000             2336
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_crystal_size_rad          0.400
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0656
_diffrn_reflns_av_unetI/netI     0.0587
_diffrn_reflns_Laue_measured_fraction_full 0.991
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            53968
_diffrn_reflns_point_group_measured_fraction_full 0.991
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_theta_full        53.543
_diffrn_reflns_theta_max         53.855
_diffrn_reflns_theta_min         2.378
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.00(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     20.00 101.00   0.50    0.17    --   75.41-125.00 -30.00  162
  2  ω     62.00  95.00   0.50    0.17    --   75.41-125.00  30.00   66
  3  ω     50.00 111.00   0.50    0.17    --   75.41-125.00  60.00  122
  4  ω      9.00 106.00   0.50    0.17    --   75.41 -99.00  60.00  194
  5  ω     15.00  54.00   0.50    0.17    --   75.41 -71.00  74.00   78
  6  ω     50.00 146.00   0.50    0.17    --   75.41  71.00-154.00  192
  7  ω     82.00 146.00   0.50    0.17    --   75.41 125.00  90.00  128
  8  ω    106.00 132.00   0.50    0.17    --   75.41 125.00  30.00   52
  9  ω    -20.00  65.00   0.50    0.05    --   -1.25  71.00-154.00  170
 10  ω    -71.00  -3.00   0.50    0.17    --  -77.91  38.00-150.00  136
 11  ω    -71.00  -9.00   0.50    0.17    --  -77.91  38.00-180.00  124
 12  ω   -103.00 -41.00   0.50    0.17    --  -77.91  71.00-154.00  124
 13  ω   -100.00 -10.00   0.50    0.17    --  -77.91  77.00-150.00  180
 14  ω   -107.00 -20.00   0.50    0.17    --  -77.91 125.00-150.00  174
 15  ω   -106.00 -74.00   0.50    0.17    --  -77.91 -57.00   0.00   64
 16  ω   -135.00 -52.00   0.50    0.17    --  -77.91 -71.00  74.00  166
 17  ω    -65.00  24.00   0.50    0.05    --   -1.25 -71.00  74.00  178
 18  ω   -149.00 -88.00   0.50    0.17    --  -77.91 -57.00 -60.00  122
 19  ω   -132.00 -95.00   0.50    0.17    --  -77.91 -99.00 -30.00   74
 20  ω   -130.00 -85.00   0.50    0.17    --  -77.91-125.00-120.00   90
 21  ω   -147.00 -93.00   0.50    0.17    --  -77.91-125.00-150.00  108
 22  ω   -116.00 -90.00   0.50    0.17    --  -77.91 -99.00-180.00   52
 23  ω     -6.00  37.00   0.50    0.05    --   -1.25 -99.00 -90.00   86
 24  ω      9.00  36.00   0.50    0.05    --   -1.25 -99.00 -60.00   54
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'ROD, Synergy Custom system, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0059845000
_diffrn_orient_matrix_UB_12      -0.0350537000
_diffrn_orient_matrix_UB_13      -0.0471121000
_diffrn_orient_matrix_UB_21      -0.0763471000
_diffrn_orient_matrix_UB_22      -0.0076039000
_diffrn_orient_matrix_UB_23      0.0403160000
_diffrn_orient_matrix_UB_31      -0.0346054000
_diffrn_orient_matrix_UB_32      0.0747308000
_diffrn_orient_matrix_UB_33      -0.0466577000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Ga K\a'
_diffrn_radiation_wavelength     1.3405
_diffrn_source                   'micro-focus metaljet'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                16686
_reflns_number_total             18515
_reflns_odcompleteness_completeness 99.15
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     53.78
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.41.115a (Rigaku OD, 2021)'
_computing_data_collection       'CrysAlisPro 1.171.41.115a (Rigaku OD, 2021)'
_computing_data_reduction        'CrysAlisPro 1.171.41.115a (Rigaku OD, 2021)'
_computing_molecular_graphics    'Olex2 1.5-beta (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5-beta (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         2.014
_refine_diff_density_min         -1.195
_refine_diff_density_rms         0.116
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.008
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1245
_refine_ls_number_reflns         18515
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0473
_refine_ls_R_factor_gt           0.0433
_refine_ls_restrained_S_all      1.008
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0779P)²+0.4368P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1135
_refine_ls_wR_factor_ref         0.1161
_refine_special_details          ?
_olex2_refinement_description    
;
1.a Secondary CH2 refined with riding coordinates:
 C00Y(H00A,H00B), C010(H01A,H01B), C016(H01C,H01D), C017(H01E,H01F), C01B(H01G,
 H01H), C01E(H01J,H01K), C01I(H01L,H01M), C01J(H01N,H01O), C01L(H01Q,H01R),
 C01P(H01U,H01V), C01Q(H01W,H01X), C01X(H2,H), C027(H02A,H02B), C02C(H02E,H02F),
  C02J(H02K,H02L)
1.b Aromatic/amide H refined with riding coordinates:
 C00X(H00X), C00Z(H00Z), C011(H011), C014(H014), C018(H018), C019(H019),
 C01D(H01I), C01K(H01P), C01M(H01S), C01N(H01T), C01S(H01Y), C01U(H01Z),
 C01V(H01), C01W(H1), C020(H020), C021(H021), C022(H022), C023(H023),
 C024(H024), C025(H025), C026(H026), C028(H028), C029(H029), C02A(H02C),
 C02B(H02D), C02D(H02G), C02E(H02H), C02G(H02I), C02I(H02J), C02K(H02M),
 C02M(H02N), C02N(H02O), C02O(H02P), C02P(H02Q), C02Q(H02R), C02R(H02S),
 C02S(H02T), C02T(H02U), C02U(H02V), C02V(H02W), C02W(H02X), C02X(H02Y),
 C02Y(H02Z), C030(H030), C032(H032), C033(H033), C034(H034), C035(H035),
 C036(H036), C037(H037), C038(H038), C039(H039), C03A(H03A), C03B(H03B),
 C03C(H03C), C03D(H03D), C03E(H03E), C03F(H03F), C03G(H03G), C03H(H03H),
 C03I(H03I), C03J(H03J), C03K(H03K), C03L(H03L), C03M(H03M), C03N(H03N),
 C03O(H03O), C03P(H03P), C03Q(H03Q), C03R(H03R), C03S(H03S)
1.c Idealised Me refined as rotating group:
 C03T(H03T,H03U,H03V), C03U(H03W,H03X,H03Y)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag01 Ag 0.35009(2) 0.68618(2) 0.75336(2) 0.01620(7) Uani 1 1 d . . . . .
Ag02 Ag 0.28091(2) 0.30073(2) 0.77687(2) 0.01797(7) Uani 1 1 d . . . . .
Ag03 Ag 0.70912(2) 0.18612(2) 0.72132(2) 0.01832(7) Uani 1 1 d . . . . .
P04 P 0.20158(4) 0.74837(4) 0.78236(4) 0.01625(16) Uani 1 1 d . . . . .
Cl05 Cl -0.20432(4) 0.62071(5) 0.81953(5) 0.02641(17) Uani 1 1 d . . . . .
P06 P 0.34041(4) 0.15469(4) 0.84218(4) 0.01600(16) Uani 1 1 d . . . . .
P07 P 0.48130(4) 0.68467(4) 0.77465(4) 0.01594(16) Uani 1 1 d . . . . .
P08 P 0.15137(4) 0.40708(4) 0.78761(4) 0.01678(16) Uani 1 1 d . . . . .
P09 P 0.76654(4) 0.10180(4) 0.63917(4) 0.01710(16) Uani 1 1 d . . . . .
P0A P 0.73509(4) 0.21232(4) 0.82626(4) 0.01645(16) Uani 1 1 d . . . . .
Al0B Al 0.60189(5) 0.39227(5) 0.39715(4) 0.01386(17) Uani 1 1 d . . . . .
Al0C Al 0.47769(5) 0.42729(5) 0.56070(4) 0.01350(17) Uani 1 1 d . . . . .
O00D O 0.57039(11) 0.47157(11) 0.50950(10) 0.0137(4) Uani 1 1 d . . . . .
O00E O 0.38115(12) 0.39257(11) 0.60052(11) 0.0165(4) Uani 1 1 d . . . . .
O00F O 0.44579(11) 0.49022(11) 0.63076(10) 0.0140(4) Uani 1 1 d . . . . .
O00G O 0.53789(12) 0.33811(11) 0.62952(10) 0.0158(4) Uani 1 1 d . . . . .
O00H O 0.50901(12) 0.37657(11) 0.48245(10) 0.0161(4) Uani 1 1 d . . . . .
O00I O 0.29792(13) 0.30863(13) 0.64366(11) 0.0225(5) Uani 1 1 d . . . . .
O00J O 0.34939(12) 0.58218(11) 0.70708(10) 0.0160(4) Uani 1 1 d . . . . .
O00K O 0.68685(12) 0.35968(12) 0.44314(11) 0.0205(4) Uani 1 1 d . . . . .
O00L O 0.56181(12) 0.24491(12) 0.74346(11) 0.0187(4) Uani 1 1 d . . . . .
O00M O 0.59190(12) 0.30000(12) 0.38890(11) 0.0180(4) Uani 1 1 d . . . . .
O00N O -0.11912(15) 0.62664(18) 0.79281(16) 0.0440(7) Uani 1 1 d . . . . .
O00O O -0.24911(15) 0.67387(17) 0.86427(17) 0.0445(7) Uani 1 1 d . . . . .
O00P O -0.24277(16) 0.6447(2) 0.75438(16) 0.0511(8) Uani 1 1 d . . . . .
C00Q C 0.36789(16) 0.50112(16) 0.74899(16) 0.0142(6) Uani 1 1 d . . . . .
C00R C 0.42284(16) 0.44914(17) 0.70773(15) 0.0134(6) Uani 1 1 d . . . . .
C00S C 0.36020(18) 0.33174(17) 0.59956(15) 0.0177(6) Uani 1 1 d . . . . .
C00T C 0.65120(17) 0.44206(17) 0.52423(15) 0.0160(6) Uani 1 1 d . . . . .
O00U O -0.2063(2) 0.53795(16) 0.86626(19) 0.0622(9) Uani 1 1 d . . . . .
C00V C 0.70795(18) 0.38391(18) 0.49067(15) 0.0177(6) Uani 1 1 d . . . . .
C00W C 0.41314(18) 0.28686(17) 0.54489(16) 0.0173(6) Uani 1 1 d . . . . .
C00X C 0.33861(17) 0.46771(17) 0.82715(16) 0.0167(6) Uani 1 1 d . . . . .
H00X H 0.302106 0.502578 0.855762 0.020 Uiso 1 1 calc R U . . .
C00Y C 0.15427(18) 0.51486(17) 0.73165(17) 0.0191(6) Uani 1 1 d . . . . .
H00A H 0.195745 0.527804 0.748341 0.023 Uiso 1 1 calc R U . . .
H00B H 0.174465 0.519934 0.676294 0.023 Uiso 1 1 calc R U . . .
C00Z C 0.42005(18) 0.33176(18) 0.82394(16) 0.0178(6) Uani 1 1 d . . . . .
H00Z H 0.437888 0.274029 0.850345 0.021 Uiso 1 1 calc R U . . .
C010 C 0.65605(18) 0.46916(17) 0.77001(16) 0.0183(6) Uani 1 1 d . . . . .
H01A H 0.676548 0.471937 0.811858 0.022 Uiso 1 1 calc R U . . .
H01B H 0.696210 0.485247 0.721192 0.022 Uiso 1 1 calc R U . . .
C011 C 0.51176(18) 0.19742(17) 0.44449(16) 0.0183(6) Uani 1 1 d . . . . .
H011 H 0.545173 0.166798 0.411058 0.022 Uiso 1 1 calc R U . . .
C012 C 0.06851(18) 0.39506(18) 0.75516(17) 0.0204(6) Uani 1 1 d . . . . .
O013 O -0.19950(19) 0.82832(19) 0.5562(2) 0.0567(8) Uani 1 1 d . . . . .
C014 C 0.58687(19) 0.17660(18) 0.92138(17) 0.0220(7) Uani 1 1 d . . . . .
H014 H 0.576071 0.172985 0.877117 0.026 Uiso 1 1 calc R U . . .
C015 C 0.49257(18) 0.64940(17) 0.87507(16) 0.0188(6) Uani 1 1 d . . . . .
C016 C 0.60189(18) 0.13567(18) 0.61792(16) 0.0189(6) Uani 1 1 d . . . . .
H01C H 0.590939 0.194278 0.613138 0.023 Uiso 1 1 calc R U . . .
H01D H 0.566827 0.133974 0.586158 0.023 Uiso 1 1 calc R U . . .
C017 C 0.47865(17) 0.12313(18) 0.72697(16) 0.0193(6) Uani 1 1 d . . . . .
H01E H 0.464932 0.184072 0.702293 0.023 Uiso 1 1 calc R U . . .
H01F H 0.446777 0.101532 0.707591 0.023 Uiso 1 1 calc R U . . .
C018 C -0.01686(19) 0.42526(18) 0.78120(17) 0.0221(7) Uani 1 1 d . . . . .
H018 H -0.033843 0.448663 0.821327 0.027 Uiso 1 1 calc R U . . .
C019 C 0.36317(17) 0.38203(18) 0.86389(16) 0.0172(6) Uani 1 1 d . . . . .
H019 H 0.340352 0.358396 0.916876 0.021 Uiso 1 1 calc R U . . .
C01A C 0.48170(17) 0.31076(17) 0.49153(16) 0.0156(6) Uani 1 1 d . . . . .
C01B C 0.65361(18) 0.38024(17) 0.78854(17) 0.0194(6) Uani 1 1 d . . . . .
H01G H 0.638419 0.376055 0.744491 0.023 Uiso 1 1 calc R U . . .
H01H H 0.609922 0.365601 0.834732 0.023 Uiso 1 1 calc R U . . .
C01C C 0.52145(17) 0.31178(17) 0.70394(16) 0.0159(6) Uani 1 1 d . . . . .
C01D C 0.90805(19) 0.16151(18) 0.58307(18) 0.0231(7) Uani 1 1 d . . . . .
H01I H 0.889058 0.179971 0.626569 0.028 Uiso 1 1 calc R U . . .
C01E C 0.45069(17) 0.10212(17) 0.81420(16) 0.0184(6) Uani 1 1 d . . . . .
H01J H 0.486890 0.117993 0.834474 0.022 Uiso 1 1 calc R U . . .
H01K H 0.458313 0.041534 0.838424 0.022 Uiso 1 1 calc R U . . .
C01F C 0.53008(17) 0.26751(17) 0.43985(15) 0.0168(6) Uani 1 1 d . . . . .
C01G C 0.49824(18) 0.78850(18) 0.73354(16) 0.0188(6) Uani 1 1 d . . . . .
C01H C 0.45224(17) 0.36441(17) 0.74465(15) 0.0150(6) Uani 1 1 d . . . . .
C01I C 0.07075(17) 0.57945(17) 0.73894(17) 0.0184(6) Uani 1 1 d . . . . .
H01L H 0.053857 0.579377 0.793047 0.022 Uiso 1 1 calc R U . . .
H01M H 0.027469 0.563072 0.728246 0.022 Uiso 1 1 calc R U . . .
C01J C 0.73900(18) 0.31871(17) 0.80400(17) 0.0202(6) Uani 1 1 d . . . . .
H01N H 0.754280 0.322786 0.848054 0.024 Uiso 1 1 calc R U . . .
H01O H 0.782741 0.333147 0.757794 0.024 Uiso 1 1 calc R U . . .
C01K C 0.09514(19) 0.90674(19) 0.71954(18) 0.0237(7) Uani 1 1 d . . . . .
H01P H 0.049855 0.887336 0.756552 0.028 Uiso 1 1 calc R U . . .
C01L C 0.12547(18) 0.70451(18) 0.77325(17) 0.0197(6) Uani 1 1 d . . . . .
H01Q H 0.130209 0.647824 0.811214 0.024 Uiso 1 1 calc R U . . .
H01R H 0.068091 0.738347 0.786016 0.024 Uiso 1 1 calc R U . . .
C01M C 0.42921(19) 0.62146(19) 0.93491(17) 0.0242(7) Uani 1 1 d . . . . .
H01S H 0.379850 0.620244 0.923305 0.029 Uiso 1 1 calc R U . . .
C01N C 0.1870(2) 0.66921(19) 0.93976(18) 0.0235(7) Uani 1 1 d . . . . .
H01T H 0.218836 0.622208 0.924634 0.028 Uiso 1 1 calc R U . . .
C01O C 0.66112(18) 0.19316(17) 0.91758(16) 0.0194(6) Uani 1 1 d . . . . .
C01P C 0.57265(17) 0.08747(17) 0.70276(16) 0.0181(6) Uani 1 1 d . . . . .
H01U H 0.583708 0.028361 0.709246 0.022 Uiso 1 1 calc R U . . .
H01V H 0.604313 0.091314 0.736203 0.022 Uiso 1 1 calc R U . . .
C01Q C 0.07246(18) 0.66746(18) 0.68466(17) 0.0192(6) Uani 1 1 d . . . . .
H01W H 0.016384 0.704917 0.694399 0.023 Uiso 1 1 calc R U . . .
H01X H 0.082958 0.668742 0.630542 0.023 Uiso 1 1 calc R U . . .
C01R C 0.28330(17) 0.09667(17) 0.82653(16) 0.0168(6) Uani 1 1 d . . . . .
C01S C 0.67577(18) 0.46877(19) 0.57023(16) 0.0210(6) Uani 1 1 d . . . . .
H01Y H 0.636724 0.508499 0.592409 0.025 Uiso 1 1 calc R U . . .
C01T C 0.16682(17) 0.74731(18) 0.88241(16) 0.0181(6) Uani 1 1 d . . . . .
C01U C 0.21597(19) 0.08762(19) 0.73695(18) 0.0241(7) Uani 1 1 d . . . . .
H01Z H 0.197890 0.110425 0.688510 0.029 Uiso 1 1 calc R U . . .
C01V C 0.56545(19) 0.64933(19) 0.89257(17) 0.0239(7) Uani 1 1 d . . . . .
H01 H 0.609083 0.667621 0.852066 0.029 Uiso 1 1 calc R U . . .
C01W C 0.1166(2) 0.7286(2) 1.04004(18) 0.0252(7) Uani 1 1 d . . . . .
H1 H 0.098930 0.722595 1.093501 0.030 Uiso 1 1 calc R U . . .
C01X C 0.57596(18) 0.62058(17) 0.73293(16) 0.0180(6) Uani 1 1 d . . . . .
H2 H 0.583051 0.643020 0.675704 0.022 Uiso 1 1 calc R U . . .
H H 0.625591 0.622143 0.747768 0.022 Uiso 1 1 calc R U . . .
C01Y C 0.17684(18) 0.85513(17) 0.71815(17) 0.0188(6) Uani 1 1 d . . . . .
C01Z C 0.86115(17) 0.12128(17) 0.56953(16) 0.0178(6) Uani 1 1 d . . . . .
C020 C 0.44297(19) 0.17195(18) 0.49936(17) 0.0217(6) Uani 1 1 d . . . . .
H020 H 0.429767 0.124037 0.502743 0.026 Uiso 1 1 calc R U . . .
C021 C 0.42786(19) 0.85594(18) 0.73313(17) 0.0218(6) Uani 1 1 d . . . . .
H021 H 0.374315 0.846566 0.759378 0.026 Uiso 1 1 calc R U . . .
C022 C 0.6760(2) 0.19817(19) 0.98291(17) 0.0238(7) Uani 1 1 d . . . . .
H022 H 0.726354 0.209919 0.980764 0.029 Uiso 1 1 calc R U . . .
C023 C 0.0979(2) 0.8062(2) 0.98426(18) 0.0259(7) Uani 1 1 d . . . . .
H023 H 0.068191 0.853305 0.999753 0.031 Uiso 1 1 calc R U . . .
C024 C 0.20302(19) 0.01173(19) 0.78864(19) 0.0240(7) Uani 1 1 d . . . . .
H024 H 0.175972 -0.017415 0.775801 0.029 Uiso 1 1 calc R U . . .
C025 C 0.0694(2) 0.33999(19) 0.93765(18) 0.0250(7) Uani 1 1 d . . . . .
H025 H 0.057411 0.306071 0.917417 0.030 Uiso 1 1 calc R U . . .
C026 C -0.07696(19) 0.4214(2) 0.74896(19) 0.0262(7) Uani 1 1 d . . . . .
H026 H -0.134833 0.441877 0.767192 0.031 Uiso 1 1 calc R U . . .
C027 C 0.57027(18) 0.53045(18) 0.76165(18) 0.0213(6) Uani 1 1 d . . . . .
H02A H 0.531954 0.518999 0.812386 0.026 Uiso 1 1 calc R U . . .
H02B H 0.546447 0.522882 0.724565 0.026 Uiso 1 1 calc R U . . .
C028 C 0.6176(2) 0.18609(19) 1.05118(18) 0.0283(7) Uani 1 1 d . . . . .
H028 H 0.628219 0.189167 1.095764 0.034 Uiso 1 1 calc R U . . .
C029 C 0.36856(19) 0.05308(19) 0.99456(18) 0.0238(7) Uani 1 1 d . . . . .
H029 H 0.397670 0.008960 0.974560 0.029 Uiso 1 1 calc R U . . .
C02A C 0.2853(2) 0.1817(2) 1.05387(18) 0.0268(7) Uani 1 1 d . . . . .
H02C H 0.257412 0.225862 1.074016 0.032 Uiso 1 1 calc R U . . .
C02B C 0.39497(18) 0.21587(18) 0.54792(16) 0.0202(6) Uani 1 1 d . . . . .
H02D H 0.348542 0.198100 0.584326 0.024 Uiso 1 1 calc R U . . .
C02C C 0.69449(18) 0.1058(2) 0.58308(17) 0.0214(6) Uani 1 1 d . . . . .
H02E H 0.706454 0.143493 0.529394 0.026 Uiso 1 1 calc R U . . .
H02F H 0.704538 0.049914 0.580812 0.026 Uiso 1 1 calc R U . . .
C02D C 0.12214(19) 0.81533(18) 0.90623(17) 0.0213(6) Uani 1 1 d . . . . .
H02G H 0.108106 0.868597 0.868623 0.026 Uiso 1 1 calc R U . . .
C02E C 0.78898(19) 0.3515(2) 0.50751(17) 0.0235(7) Uani 1 1 d . . . . .
H02H H 0.827861 0.310322 0.487059 0.028 Uiso 1 1 calc R U . . .
C02F C 0.32996(18) 0.13038(18) 0.94584(16) 0.0194(6) Uani 1 1 d . . . . .
C02G C 0.4357(2) 0.93627(19) 0.69474(19) 0.0271(7) Uani 1 1 d . . . . .
H02I H 0.387644 0.981688 0.695014 0.033 Uiso 1 1 calc R U . . .
C02H C 0.11005(17) 0.40133(18) 0.88799(16) 0.0188(6) Uani 1 1 d . . . . .
C02I C 0.0647(2) 0.3759(2) 1.04682(18) 0.0279(8) Uani 1 1 d . . . . .
H02J H 0.049289 0.367310 1.100835 0.033 Uiso 1 1 calc R U . . .
C02J C 0.13834(18) 0.70113(18) 0.69273(16) 0.0190(6) Uani 1 1 d . . . . .
H02K H 0.194892 0.665481 0.680724 0.023 Uiso 1 1 calc R U . . .
H02L H 0.135746 0.757474 0.654516 0.023 Uiso 1 1 calc R U . . .
C02K C 0.26967(19) 0.02034(19) 0.87803(18) 0.0248(7) Uani 1 1 d . . . . .
H02M H 0.287967 -0.003077 0.926408 0.030 Uiso 1 1 calc R U . . .
C02L C 0.83591(18) 0.14707(18) 0.85422(16) 0.0202(6) Uani 1 1 d . . . . .
C02M C 0.88972(19) 0.09486(19) 0.50574(17) 0.0237(7) Uani 1 1 d . . . . .
H02N H 0.858069 0.067622 0.495850 0.028 Uiso 1 1 calc R U . . .
C02N C 0.5435(2) 0.16949(19) 1.05458(17) 0.0285(8) Uani 1 1 d . . . . .
H02O H 0.503509 0.161077 1.101405 0.034 Uiso 1 1 calc R U . . .
C02O C 0.1612(2) 0.6600(2) 1.01747(18) 0.0259(7) Uani 1 1 d . . . . .
H02P H 0.174052 0.606816 1.055428 0.031 Uiso 1 1 calc R U . . .
C02P C 0.25505(18) 0.12985(18) 0.75596(18) 0.0217(7) Uani 1 1 d . . . . .
H02Q H 0.262876 0.182090 0.720712 0.026 Uiso 1 1 calc R U . . .
C02Q C 0.5135(2) 0.9503(2) 0.65599(19) 0.0280(7) Uani 1 1 d . . . . .
H02R H 0.518593 1.005200 0.627811 0.034 Uiso 1 1 calc R U . . .
C02R C 0.28831(19) 0.19353(19) 0.97711(17) 0.0224(7) Uani 1 1 d . . . . .
H02S H 0.261296 0.246039 0.945066 0.027 Uiso 1 1 calc R U . . .
C02S C 0.5282(2) 0.1653(2) 0.99004(18) 0.0274(7) Uani 1 1 d . . . . .
H02T H 0.477290 0.154616 0.992175 0.033 Uiso 1 1 calc R U . . .
C02T C 0.3644(2) 0.0409(2) 1.07116(18) 0.0278(8) Uani 1 1 d . . . . .
H02U H 0.390077 -0.011910 1.103768 0.033 Uiso 1 1 calc R U . . .
C02U C 0.9859(2) 0.1203(2) 0.8388(2) 0.0305(8) Uani 1 1 d . . . . .
H02V H 1.035869 0.138357 0.814944 0.037 Uiso 1 1 calc R U . . .
C02V C 0.57642(19) 0.80331(19) 0.69762(18) 0.0228(7) Uani 1 1 d . . . . .
H02W H 0.625153 0.758286 0.699670 0.027 Uiso 1 1 calc R U . . .
C02W C 0.98264(19) 0.17472(19) 0.53303(18) 0.0267(7) Uani 1 1 d . . . . .
H02X H 1.014363 0.202391 0.542245 0.032 Uiso 1 1 calc R U . . .
C02X C 0.84004(19) -0.0232(2) 0.75941(18) 0.0260(7) Uani 1 1 d . . . . .
H02Y H 0.841314 0.021262 0.772711 0.031 Uiso 1 1 calc R U . . .
C02Y C 0.9646(2) 0.1080(2) 0.45602(18) 0.0279(7) Uani 1 1 d . . . . .
H02Z H 0.983956 0.089671 0.412447 0.033 Uiso 1 1 calc R U . . .
N02Z N -0.1772(2) 0.6929(2) 0.5688(2) 0.0493(9) Uani 1 1 d . . . . .
C030 C 0.7575(2) 0.4379(2) 0.58439(19) 0.0285(7) Uani 1 1 d . . . . .
H030 H 0.774766 0.457407 0.615031 0.034 Uiso 1 1 calc R U . . .
C031 C 0.80396(18) -0.00692(18) 0.69645(17) 0.0217(7) Uani 1 1 d . . . . .
C032 C 0.12787(19) 0.44927(19) 0.91955(17) 0.0236(7) Uani 1 1 d . . . . .
H032 H 0.155594 0.491292 0.886607 0.028 Uiso 1 1 calc R U . . .
C033 C 0.4386(2) 0.5954(2) 1.01154(18) 0.0289(7) Uani 1 1 d . . . . .
H033 H 0.395140 0.577168 1.052359 0.035 Uiso 1 1 calc R U . . .
C034 C 0.84081(19) 0.06738(19) 0.90706(18) 0.0248(7) Uani 1 1 d . . . . .
H034 H 0.791270 0.048590 0.930481 0.030 Uiso 1 1 calc R U . . .
C035 C 0.9173(2) 0.0152(2) 0.92588(19) 0.0317(8) Uani 1 1 d . . . . .
H035 H 0.919940 -0.039127 0.962128 0.038 Uiso 1 1 calc R U . . .
C036 C 0.24128(19) 0.88480(18) 0.66260(17) 0.0210(6) Uani 1 1 d . . . . .
H036 H 0.296705 0.849812 0.660419 0.025 Uiso 1 1 calc R U . . .
C037 C 0.8361(2) -0.1545(2) 0.7225(2) 0.0384(9) Uani 1 1 d . . . . .
H037 H 0.834083 -0.199225 0.710192 0.046 Uiso 1 1 calc R U . . .
C038 C 0.2299(2) -0.02101(19) 0.85893(19) 0.0277(7) Uani 1 1 d . . . . .
H038 H 0.220732 -0.072671 0.894468 0.033 Uiso 1 1 calc R U . . .
C039 C 0.3236(2) 0.1042(2) 1.10118(18) 0.0284(8) Uani 1 1 d . . . . .
H039 H 0.321545 0.095126 1.154065 0.034 Uiso 1 1 calc R U . . .
C03A C 0.8029(2) -0.0728(2) 0.67829(19) 0.0295(8) Uani 1 1 d . . . . .
H03A H 0.779303 -0.062376 0.635153 0.035 Uiso 1 1 calc R U . . .
C03B C 1.0105(2) 0.1476(2) 0.47008(19) 0.0296(8) Uani 1 1 d . . . . .
H03B H 1.061594 0.156377 0.436220 0.035 Uiso 1 1 calc R U . . .
C03C C 0.90899(19) 0.1730(2) 0.81997(18) 0.0251(7) Uani 1 1 d . . . . .
H03C H 0.906643 0.227054 0.783377 0.030 Uiso 1 1 calc R U . . .
C03D C 0.1057(2) 0.4365(2) 0.99818(19) 0.0283(7) Uani 1 1 d . . . . .
H03D H 0.118679 0.469366 1.018938 0.034 Uiso 1 1 calc R U . . .
C03E C 0.5107(2) 0.5960(2) 1.02845(18) 0.0296(8) Uani 1 1 d . . . . .
H03E H 0.516840 0.578094 1.080904 0.036 Uiso 1 1 calc R U . . .
C03F C 0.9893(2) 0.0418(2) 0.89215(19) 0.0296(8) Uani 1 1 d . . . . .
H03F H 1.041601 0.006066 0.905622 0.036 Uiso 1 1 calc R U . . .
C03G C 0.0807(2) 0.9870(2) 0.6661(2) 0.0309(8) Uani 1 1 d . . . . .
H03G H 0.025272 1.022034 0.666927 0.037 Uiso 1 1 calc R U . . .
C03H C 0.5742(2) 0.6224(2) 0.96941(17) 0.0271(7) Uani 1 1 d . . . . .
H03H H 0.623965 0.622220 0.981414 0.033 Uiso 1 1 calc R U . . .
C03I C 0.0465(2) 0.3281(2) 1.01640(19) 0.0303(8) Uani 1 1 d . . . . .
H03I H 0.017925 0.286803 1.049576 0.036 Uiso 1 1 calc R U . . .
C03J C 0.81306(19) 0.3788(2) 0.55365(19) 0.0305(8) Uani 1 1 d . . . . .
H03J H 0.868509 0.356549 0.564261 0.037 Uiso 1 1 calc R U . . .
C03K C -0.0531(2) 0.3879(2) 0.6907(2) 0.0355(8) Uani 1 1 d . . . . .
H03K H -0.094375 0.386232 0.668042 0.043 Uiso 1 1 calc R U . . .
C03L C 0.1460(2) 1.0158(2) 0.61226(19) 0.0292(8) Uani 1 1 d . . . . .
H03L H 0.135570 1.070730 0.576762 0.035 Uiso 1 1 calc R U . . .
C03M C 0.5835(2) 0.8844(2) 0.6584(2) 0.0290(7) Uani 1 1 d . . . . .
H03M H 0.637089 0.894183 0.633225 0.035 Uiso 1 1 calc R U . . .
C03N C 0.2262(2) 0.9651(2) 0.60984(18) 0.0275(7) Uani 1 1 d . . . . .
H03N H 0.271140 0.984737 0.572392 0.033 Uiso 1 1 calc R U . . .
C03O C 0.8718(2) -0.1695(2) 0.7842(2) 0.0402(10) Uani 1 1 d . . . . .
H03O H 0.894966 -0.224890 0.814091 0.048 Uiso 1 1 calc R U . . .
C03P C 0.0918(2) 0.3611(2) 0.6962(2) 0.0323(8) Uani 1 1 d . . . . .
H03P H 0.149575 0.341024 0.677191 0.039 Uiso 1 1 calc R U . . .
C03Q C 0.0311(2) 0.3565(3) 0.6650(2) 0.0413(9) Uani 1 1 d . . . . .
H03Q H 0.047398 0.331793 0.625882 0.050 Uiso 1 1 calc R U . . .
C03R C 0.8743(2) -0.1050(2) 0.80278(19) 0.0347(9) Uani 1 1 d . . . . .
H03R H 0.899320 -0.116038 0.845228 0.042 Uiso 1 1 calc R U . . .
C03S C -0.2212(3) 0.7726(3) 0.5537(3) 0.0510(11) Uani 1 1 d . . . . .
H03S H -0.274195 0.786849 0.539609 0.061 Uiso 1 1 calc R U . . .
C03T C -0.0970(3) 0.6614(3) 0.5937(3) 0.0600(13) Uani 1 1 d . . . . .
H03T H -0.054269 0.637580 0.556405 0.090 Uiso 1 1 calc R U . . .
H03U H -0.101122 0.618585 0.644850 0.090 Uiso 1 1 calc R U . . .
H03V H -0.081166 0.706687 0.596606 0.090 Uiso 1 1 calc R U . . .
C03U C -0.2132(4) 0.6313(3) 0.5703(3) 0.0710(15) Uani 1 1 d . . . . .
H03W H -0.219636 0.591237 0.622802 0.106 Uiso 1 1 calc R U . . .
H03X H -0.176082 0.602521 0.534250 0.106 Uiso 1 1 calc R U . . .
H03Y H -0.268243 0.658343 0.554729 0.106 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag01 P04 2.4153(7) . ?
Ag01 P07 2.4039(7) . ?
Ag01 O00J 2.398(2) . ?
Ag01 O00M 2.5512(19) 2_666 ?
Ag02 P06 2.4346(7) . ?
Ag02 P08 2.4236(7) . ?
Ag02 O00I 2.430(2) . ?
Ag03 P09 2.4071(8) . ?
Ag03 P0A 2.4302(8) . ?
Ag03 O00L 2.3770(19) . ?
P04 C01L 1.833(3) . ?
P04 C01T 1.826(3) . ?
P04 C01Y 1.819(3) . ?
Cl05 O00N 1.435(3) . ?
Cl05 O00O 1.426(3) . ?
Cl05 O00P 1.427(3) . ?
Cl05 O00U 1.421(3) . ?
P06 C01E 1.840(3) . ?
P06 C01R 1.823(3) . ?
P06 C02F 1.819(3) . ?
P07 C015 1.814(3) . ?
P07 C01G 1.829(3) . ?
P07 C01X 1.828(3) . ?
P08 C00Y 1.835(3) . ?
P08 C012 1.822(3) . ?
P08 C02H 1.816(3) . ?
P09 C01Z 1.820(3) . ?
P09 C02C 1.833(3) . ?
P09 C031 1.830(3) . ?
P0A C01J 1.834(3) . ?
P0A C01O 1.821(3) . ?
P0A C02L 1.829(3) . ?
Al0B O00F 1.921(2) 2_666 ?
Al0B O00H 1.930(2) . ?
Al0B O00J 1.857(2) 2_666 ?
Al0B O00K 1.737(2) . ?
Al0B O00M 1.821(2) . ?
Al0C O00D 1.8761(18) 2_666 ?
Al0C O00D 1.872(2) . ?
Al0C O00E 1.830(2) . ?
Al0C O00F 1.945(2) . ?
Al0C O00G 1.8413(18) . ?
Al0C O00H 1.919(2) . ?
O00D C00T 1.381(3) . ?
O00E C00S 1.287(4) . ?
O00F C00R 1.367(3) . ?
O00G C01C 1.285(3) . ?
O00H C01A 1.366(3) . ?
O00I C00S 1.241(3) . ?
O00J C00Q 1.345(3) . ?
O00K C00V 1.335(4) . ?
O00L C01C 1.238(3) . ?
O00M C01F 1.342(3) . ?
C00Q C00R 1.402(4) . ?
C00Q C00X 1.380(4) . ?
C00R C01H 1.395(4) . ?
C00S C00W 1.487(4) . ?
C00T C00V 1.400(4) . ?
C00T C01S 1.377(4) . ?
C00V C02E 1.397(4) . ?
C00W C01A 1.386(4) . ?
C00W C02B 1.409(4) . ?
C00X H00X 0.9500 . ?
C00X C019 1.399(4) . ?
C00Y H00A 0.9900 . ?
C00Y H00B 0.9900 . ?
C00Y C01I 1.527(4) . ?
C00Z H00Z 0.9500 . ?
C00Z C019 1.376(4) . ?
C00Z C01H 1.406(4) . ?
C010 H01A 0.9900 . ?
C010 H01B 0.9900 . ?
C010 C01B 1.529(4) . ?
C010 C027 1.525(4) . ?
C011 H011 0.9500 . ?
C011 C01F 1.383(4) . ?
C011 C020 1.409(4) . ?
C012 C018 1.398(4) . ?
C012 C03P 1.394(5) . ?
O013 C03S 1.219(6) . ?
C014 H014 0.9500 . ?
C014 C01O 1.389(4) . ?
C014 C02S 1.393(4) . ?
C015 C01M 1.396(4) . ?
C015 C01V 1.392(4) . ?
C016 H01C 0.9900 . ?
C016 H01D 0.9900 . ?
C016 C01P 1.532(4) . ?
C016 C02C 1.537(4) . ?
C017 H01E 0.9900 . ?
C017 H01F 0.9900 . ?
C017 C01E 1.520(4) . ?
C017 C01P 1.531(4) . ?
C018 H018 0.9500 . ?
C018 C026 1.386(4) . ?
C019 H019 0.9500 . ?
C01A C01F 1.409(4) . ?
C01B H01G 0.9900 . ?
C01B H01H 0.9900 . ?
C01B C01J 1.540(4) . ?
C01C C01H 1.490(4) . ?
C01D H01I 0.9500 . ?
C01D C01Z 1.394(5) . ?
C01D C02W 1.392(4) . ?
C01E H01J 0.9900 . ?
C01E H01K 0.9900 . ?
C01G C021 1.400(4) . ?
C01G C02V 1.387(4) . ?
C01I H01L 0.9900 . ?
C01I H01M 0.9900 . ?
C01I C01Q 1.529(4) . ?
C01J H01N 0.9900 . ?
C01J H01O 0.9900 . ?
C01K H01P 0.9500 . ?
C01K C01Y 1.400(4) . ?
C01K C03G 1.397(4) . ?
C01L H01Q 0.9900 . ?
C01L H01R 0.9900 . ?
C01L C02J 1.515(4) . ?
C01M H01S 0.9500 . ?
C01M C033 1.390(4) . ?
C01N H01T 0.9500 . ?
C01N C01T 1.411(4) . ?
C01N C02O 1.379(4) . ?
C01O C022 1.391(4) . ?
C01P H01U 0.9900 . ?
C01P H01V 0.9900 . ?
C01Q H01W 0.9900 . ?
C01Q H01X 0.9900 . ?
C01Q C02J 1.533(4) . ?
C01R C02K 1.399(4) . ?
C01R C02P 1.399(4) . ?
C01S H01Y 0.9500 . ?
C01S C030 1.391(4) . ?
C01T C02D 1.390(4) . ?
C01U H01Z 0.9500 . ?
C01U C024 1.390(4) . ?
C01U C02P 1.380(5) . ?
C01V H01 0.9500 . ?
C01V C03H 1.389(4) . ?
C01W H1 0.9500 . ?
C01W C023 1.388(4) . ?
C01W C02O 1.386(5) . ?
C01X H2 0.9900 . ?
C01X H 0.9900 . ?
C01X C027 1.540(4) . ?
C01Y C036 1.385(4) . ?
C01Z C02M 1.386(5) . ?
C020 H020 0.9500 . ?
C020 C02B 1.371(4) . ?
C021 H021 0.9500 . ?
C021 C02G 1.386(4) . ?
C022 H022 0.9500 . ?
C022 C028 1.386(4) . ?
C023 H023 0.9500 . ?
C023 C02D 1.384(4) . ?
C024 H024 0.9500 . ?
C024 C038 1.384(4) . ?
C025 H025 0.9500 . ?
C025 C02H 1.394(4) . ?
C025 C03I 1.387(5) . ?
C026 H026 0.9500 . ?
C026 C03K 1.375(5) . ?
C027 H02A 0.9900 . ?
C027 H02B 0.9900 . ?
C028 H028 0.9500 . ?
C028 C02N 1.390(5) . ?
C029 H029 0.9500 . ?
C029 C02F 1.404(4) . ?
C029 C02T 1.376(5) . ?
C02A H02C 0.9500 . ?
C02A C02R 1.385(5) . ?
C02A C039 1.393(4) . ?
C02B H02D 0.9500 . ?
C02C H02E 0.9900 . ?
C02C H02F 0.9900 . ?
C02D H02G 0.9500 . ?
C02E H02H 0.9500 . ?
C02E C03J 1.381(5) . ?
C02F C02R 1.390(5) . ?
C02G H02I 0.9500 . ?
C02G C02Q 1.385(5) . ?
C02H C032 1.393(5) . ?
C02I H02J 0.9500 . ?
C02I C03D 1.384(5) . ?
C02I C03I 1.378(5) . ?
C02J H02K 0.9900 . ?
C02J H02L 0.9900 . ?
C02K H02M 0.9500 . ?
C02K C038 1.377(5) . ?
C02L C034 1.391(4) . ?
C02L C03C 1.385(4) . ?
C02M H02N 0.9500 . ?
C02M C02Y 1.393(4) . ?
C02N H02O 0.9500 . ?
C02N C02S 1.371(5) . ?
C02O H02P 0.9500 . ?
C02P H02Q 0.9500 . ?
C02Q H02R 0.9500 . ?
C02Q C03M 1.378(5) . ?
C02R H02S 0.9500 . ?
C02S H02T 0.9500 . ?
C02T H02U 0.9500 . ?
C02T C039 1.377(5) . ?
C02U H02V 0.9500 . ?
C02U C03C 1.394(4) . ?
C02U C03F 1.381(5) . ?
C02V H02W 0.9500 . ?
C02V C03M 1.396(4) . ?
C02W H02X 0.9500 . ?
C02W C03B 1.379(5) . ?
C02X H02Y 0.9500 . ?
C02X C031 1.398(5) . ?
C02X C03R 1.400(4) . ?
C02Y H02Z 0.9500 . ?
C02Y C03B 1.376(5) . ?
N02Z C03S 1.344(6) . ?
N02Z C03T 1.448(5) . ?
N02Z C03U 1.446(6) . ?
C030 H030 0.9500 . ?
C030 C03J 1.377(5) . ?
C031 C03A 1.385(5) . ?
C032 H032 0.9500 . ?
C032 C03D 1.382(4) . ?
C033 H033 0.9500 . ?
C033 C03E 1.379(5) . ?
C034 H034 0.9500 . ?
C034 C035 1.385(4) . ?
C035 H035 0.9500 . ?
C035 C03F 1.375(5) . ?
C036 H036 0.9500 . ?
C036 C03N 1.394(4) . ?
C037 H037 0.9500 . ?
C037 C03A 1.398(4) . ?
C037 C03O 1.378(6) . ?
C038 H038 0.9500 . ?
C039 H039 0.9500 . ?
C03A H03A 0.9500 . ?
C03B H03B 0.9500 . ?
C03C H03C 0.9500 . ?
C03D H03D 0.9500 . ?
C03E H03E 0.9500 . ?
C03E C03H 1.382(5) . ?
C03F H03F 0.9500 . ?
C03G H03G 0.9500 . ?
C03G C03L 1.379(5) . ?
C03H H03H 0.9500 . ?
C03I H03I 0.9500 . ?
C03J H03J 0.9500 . ?
C03K H03K 0.9500 . ?
C03K C03Q 1.383(5) . ?
C03L H03L 0.9500 . ?
C03L C03N 1.375(5) . ?
C03M H03M 0.9500 . ?
C03N H03N 0.9500 . ?
C03O H03O 0.9500 . ?
C03O C03R 1.375(6) . ?
C03P H03P 0.9500 . ?
C03P C03Q 1.388(5) . ?
C03Q H03Q 0.9500 . ?
C03R H03R 0.9500 . ?
C03S H03S 0.9500 . ?
C03T H03T 0.9800 . ?
C03T H03U 0.9800 . ?
C03T H03V 0.9800 . ?
C03U H03W 0.9800 . ?
C03U H03X 0.9800 . ?
C03U H03Y 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P04 Ag01 O00M 114.88(5) . 2_666 ?
P07 Ag01 P04 140.15(3) . . ?
P07 Ag01 O00M 92.63(5) . 2_666 ?
O00J Ag01 P04 101.04(5) . . ?
O00J Ag01 P07 117.90(5) . . ?
O00J Ag01 O00M 60.68(6) . 2_666 ?
P08 Ag02 P06 139.48(3) . . ?
P08 Ag02 O00I 100.69(5) . . ?
O00I Ag02 P06 103.30(5) . . ?
P09 Ag03 P0A 143.17(2) . . ?
O00L Ag03 P09 118.93(6) . . ?
O00L Ag03 P0A 95.22(5) . . ?
C01L P04 Ag01 119.98(10) . . ?
C01T P04 Ag01 112.53(9) . . ?
C01T P04 C01L 101.64(14) . . ?
C01Y P04 Ag01 109.56(10) . . ?
C01Y P04 C01L 103.72(13) . . ?
C01Y P04 C01T 108.56(14) . . ?
O00O Cl05 O00N 109.57(17) . . ?
O00O Cl05 O00P 109.69(18) . . ?
O00P Cl05 O00N 109.25(16) . . ?
O00U Cl05 O00N 109.94(18) . . ?
O00U Cl05 O00O 109.13(19) . . ?
O00U Cl05 O00P 109.3(2) . . ?
C01E P06 Ag02 122.21(9) . . ?
C01R P06 Ag02 107.03(9) . . ?
C01R P06 C01E 102.69(14) . . ?
C02F P06 Ag02 112.34(10) . . ?
C02F P06 C01E 102.79(13) . . ?
C02F P06 C01R 108.93(13) . . ?
C015 P07 Ag01 116.00(10) . . ?
C015 P07 C01G 104.59(14) . . ?
C015 P07 C01X 102.57(13) . . ?
C01G P07 Ag01 111.15(9) . . ?
C01G P07 C01X 104.66(14) . . ?
C01X P07 Ag01 116.54(10) . . ?
C00Y P08 Ag02 117.35(10) . . ?
C012 P08 Ag02 112.35(10) . . ?
C012 P08 C00Y 103.12(13) . . ?
C02H P08 Ag02 110.89(9) . . ?
C02H P08 C00Y 107.03(14) . . ?
C02H P08 C012 105.14(14) . . ?
C01Z P09 Ag03 115.46(11) . . ?
C01Z P09 C02C 105.67(13) . . ?
C01Z P09 C031 101.43(12) . . ?
C02C P09 Ag03 115.52(11) . . ?
C031 P09 Ag03 110.51(11) . . ?
C031 P09 C02C 107.01(15) . . ?
C01J P0A Ag03 114.81(10) . . ?
C01O P0A Ag03 117.47(11) . . ?
C01O P0A C01J 103.11(14) . . ?
C01O P0A C02L 103.38(13) . . ?
C02L P0A Ag03 111.50(10) . . ?
C02L P0A C01J 105.20(14) . . ?
O00F Al0B O00H 89.21(8) 2_666 . ?
O00J Al0B O00F 83.54(8) 2_666 2_666 ?
O00J Al0B O00H 153.47(9) 2_666 . ?
O00K Al0B O00F 112.30(10) . 2_666 ?
O00K Al0B O00H 103.08(9) . . ?
O00K Al0B O00J 103.29(10) . 2_666 ?
O00K Al0B O00M 105.95(10) . . ?
O00M Al0B O00F 141.69(9) . 2_666 ?
O00M Al0B O00H 84.22(9) . . ?
O00M Al0B O00J 85.80(9) . 2_666 ?
O00D Al0C O00D 78.25(9) . 2_666 ?
O00D Al0C O00F 84.34(8) 2_666 . ?
O00D Al0C O00F 90.31(9) . . ?
O00D Al0C O00H 89.89(8) 2_666 . ?
O00D Al0C O00H 86.03(9) . . ?
O00E Al0C O00D 173.03(9) . . ?
O00E Al0C O00D 95.23(8) . 2_666 ?
O00E Al0C O00F 91.48(9) . . ?
O00E Al0C O00G 93.94(9) . . ?
O00E Al0C O00H 91.56(9) . . ?
O00G Al0C O00D 92.79(8) . . ?
O00G Al0C O00D 169.56(10) . 2_666 ?
O00G Al0C O00F 90.44(8) . . ?
O00G Al0C O00H 94.86(9) . . ?
O00H Al0C O00F 173.70(8) . . ?
Al0C O00D Al0C 101.75(9) . 2_666 ?
C00T O00D Al0C 129.45(16) . . ?
C00T O00D Al0C 128.52(16) . 2_666 ?
C00S O00E Al0C 132.71(19) . . ?
Al0B O00F Al0C 124.84(9) 2_666 . ?
C00R O00F Al0B 112.83(17) . 2_666 ?
C00R O00F Al0C 116.84(17) . . ?
C01C O00G Al0C 129.23(18) . . ?
Al0C O00H Al0B 123.84(11) . . ?
C01A O00H Al0B 111.79(18) . . ?
C01A O00H Al0C 122.57(17) . . ?
C00S O00I Ag02 114.92(19) . . ?
Al0B O00J Ag01 109.16(9) 2_666 . ?
C00Q O00J Ag01 122.19(16) . . ?
C00Q O00J Al0B 115.05(17) . 2_666 ?
C00V O00K Al0B 135.16(19) . . ?
C01C O00L Ag03 127.61(17) . . ?
Al0B O00M Ag01 104.30(8) . 2_666 ?
C01F O00M Ag01 131.92(18) . 2_666 ?
C01F O00M Al0B 115.70(19) . . ?
O00J C00Q C00R 115.0(2) . . ?
O00J C00Q C00X 125.2(3) . . ?
C00X C00Q C00R 119.7(2) . . ?
O00F C00R C00Q 113.5(2) . . ?
O00F C00R C01H 125.0(2) . . ?
C01H C00R C00Q 121.4(2) . . ?
O00E C00S C00W 119.0(3) . . ?
O00I C00S O00E 122.0(3) . . ?
O00I C00S C00W 119.0(3) . . ?
O00D C00T C00V 117.9(3) . . ?
C01S C00T O00D 121.5(3) . . ?
C01S C00T C00V 120.7(3) . . ?
O00K C00V C00T 121.9(2) . . ?
O00K C00V C02E 119.8(3) . . ?
C02E C00V C00T 118.3(3) . . ?
C01A C00W C00S 122.7(3) . . ?
C01A C00W C02B 117.9(3) . . ?
C02B C00W C00S 119.4(3) . . ?
C00Q C00X H00X 120.3 . . ?
C00Q C00X C019 119.4(3) . . ?
C019 C00X H00X 120.3 . . ?
P08 C00Y H00A 108.4 . . ?
P08 C00Y H00B 108.4 . . ?
H00A C00Y H00B 107.5 . . ?
C01I C00Y P08 115.4(2) . . ?
C01I C00Y H00A 108.4 . . ?
C01I C00Y H00B 108.4 . . ?
C019 C00Z H00Z 119.5 . . ?
C019 C00Z C01H 121.1(3) . . ?
C01H C00Z H00Z 119.5 . . ?
H01A C010 H01B 107.8 . . ?
C01B C010 H01A 109.1 . . ?
C01B C010 H01B 109.1 . . ?
C027 C010 H01A 109.1 . . ?
C027 C010 H01B 109.1 . . ?
C027 C010 C01B 112.4(2) . . ?
C01F C011 H011 120.4 . . ?
C01F C011 C020 119.3(3) . . ?
C020 C011 H011 120.4 . . ?
C018 C012 P08 123.2(3) . . ?
C03P C012 P08 117.9(2) . . ?
C03P C012 C018 118.6(3) . . ?
C01O C014 H014 120.0 . . ?
C01O C014 C02S 120.0(3) . . ?
C02S C014 H014 120.0 . . ?
C01M C015 P07 120.6(2) . . ?
C01V C015 P07 119.7(2) . . ?
C01V C015 C01M 119.7(3) . . ?
H01C C016 H01D 107.3 . . ?
C01P C016 H01C 108.1 . . ?
C01P C016 H01D 108.1 . . ?
C01P C016 C02C 116.7(2) . . ?
C02C C016 H01C 108.1 . . ?
C02C C016 H01D 108.1 . . ?
H01E C017 H01F 107.8 . . ?
C01E C017 H01E 108.9 . . ?
C01E C017 H01F 108.9 . . ?
C01E C017 C01P 113.2(2) . . ?
C01P C017 H01E 108.9 . . ?
C01P C017 H01F 108.9 . . ?
C012 C018 H018 119.7 . . ?
C026 C018 C012 120.6(3) . . ?
C026 C018 H018 119.7 . . ?
C00X C019 H019 119.7 . . ?
C00Z C019 C00X 120.6(3) . . ?
C00Z C019 H019 119.7 . . ?
O00H C01A C00W 125.3(3) . . ?
O00H C01A C01F 113.4(2) . . ?
C00W C01A C01F 121.3(3) . . ?
C010 C01B H01G 109.4 . . ?
C010 C01B H01H 109.4 . . ?
C010 C01B C01J 111.4(2) . . ?
H01G C01B H01H 108.0 . . ?
C01J C01B H01G 109.4 . . ?
C01J C01B H01H 109.4 . . ?
O00G C01C C01H 118.9(2) . . ?
O00L C01C O00G 122.7(3) . . ?
O00L C01C C01H 118.5(2) . . ?
C01Z C01D H01I 119.9 . . ?
C02W C01D H01I 119.9 . . ?
C02W C01D C01Z 120.2(3) . . ?
P06 C01E H01J 109.0 . . ?
P06 C01E H01K 109.0 . . ?
C017 C01E P06 112.86(18) . . ?
C017 C01E H01J 109.0 . . ?
C017 C01E H01K 109.0 . . ?
H01J C01E H01K 107.8 . . ?
O00M C01F C011 125.4(3) . . ?
O00M C01F C01A 114.8(3) . . ?
C011 C01F C01A 119.8(3) . . ?
C021 C01G P07 118.0(2) . . ?
C02V C01G P07 122.8(2) . . ?
C02V C01G C021 119.0(3) . . ?
C00R C01H C00Z 117.6(3) . . ?
C00R C01H C01C 121.3(2) . . ?
C00Z C01H C01C 120.8(2) . . ?
C00Y C01I H01L 108.7 . . ?
C00Y C01I H01M 108.7 . . ?
C00Y C01I C01Q 114.3(2) . . ?
H01L C01I H01M 107.6 . . ?
C01Q C01I H01L 108.7 . . ?
C01Q C01I H01M 108.7 . . ?
P0A C01J H01N 109.5 . . ?
P0A C01J H01O 109.5 . . ?
C01B C01J P0A 110.9(2) . . ?
C01B C01J H01N 109.5 . . ?
C01B C01J H01O 109.5 . . ?
H01N C01J H01O 108.0 . . ?
C01Y C01K H01P 120.2 . . ?
C03G C01K H01P 120.2 . . ?
C03G C01K C01Y 119.6(3) . . ?
P04 C01L H01Q 109.0 . . ?
P04 C01L H01R 109.0 . . ?
H01Q C01L H01R 107.8 . . ?
C02J C01L P04 112.7(2) . . ?
C02J C01L H01Q 109.0 . . ?
C02J C01L H01R 109.0 . . ?
C015 C01M H01S 120.1 . . ?
C033 C01M C015 119.8(3) . . ?
C033 C01M H01S 120.1 . . ?
C01T C01N H01T 119.5 . . ?
C02O C01N H01T 119.5 . . ?
C02O C01N C01T 121.0(3) . . ?
C014 C01O P0A 119.6(2) . . ?
C014 C01O C022 119.2(3) . . ?
C022 C01O P0A 121.1(2) . . ?
C016 C01P H01U 109.7 . . ?
C016 C01P H01V 109.7 . . ?
C017 C01P C016 109.8(2) . . ?
C017 C01P H01U 109.7 . . ?
C017 C01P H01V 109.7 . . ?
H01U C01P H01V 108.2 . . ?
C01I C01Q H01W 108.5 . . ?
C01I C01Q H01X 108.5 . . ?
C01I C01Q C02J 115.0(2) . . ?
H01W C01Q H01X 107.5 . . ?
C02J C01Q H01W 108.5 . . ?
C02J C01Q H01X 108.5 . . ?
C02K C01R P06 124.7(2) . . ?
C02P C01R P06 116.8(2) . . ?
C02P C01R C02K 118.5(3) . . ?
C00T C01S H01Y 119.8 . . ?
C00T C01S C030 120.3(3) . . ?
C030 C01S H01Y 119.8 . . ?
C01N C01T P04 115.7(2) . . ?
C02D C01T P04 126.1(2) . . ?
C02D C01T C01N 118.2(3) . . ?
C024 C01U H01Z 120.0 . . ?
C02P C01U H01Z 120.0 . . ?
C02P C01U C024 120.1(3) . . ?
C015 C01V H01 120.1 . . ?
C03H C01V C015 119.8(3) . . ?
C03H C01V H01 120.1 . . ?
C023 C01W H1 120.1 . . ?
C02O C01W H1 120.1 . . ?
C02O C01W C023 119.8(3) . . ?
P07 C01X H2 109.5 . . ?
P07 C01X H 109.5 . . ?
H2 C01X H 108.1 . . ?
C027 C01X P07 110.7(2) . . ?
C027 C01X H2 109.5 . . ?
C027 C01X H 109.5 . . ?
C01K C01Y P04 122.9(2) . . ?
C036 C01Y P04 118.2(2) . . ?
C036 C01Y C01K 118.8(3) . . ?
C01D C01Z P09 118.2(2) . . ?
C02M C01Z P09 122.6(2) . . ?
C02M C01Z C01D 119.2(3) . . ?
C011 C020 H020 119.8 . . ?
C02B C020 C011 120.4(3) . . ?
C02B C020 H020 119.8 . . ?
C01G C021 H021 119.7 . . ?
C02G C021 C01G 120.5(3) . . ?
C02G C021 H021 119.7 . . ?
C01O C022 H022 119.9 . . ?
C028 C022 C01O 120.3(3) . . ?
C028 C022 H022 119.9 . . ?
C01W C023 H023 119.7 . . ?
C02D C023 C01W 120.5(3) . . ?
C02D C023 H023 119.7 . . ?
C01U C024 H024 120.3 . . ?
C038 C024 C01U 119.5(3) . . ?
C038 C024 H024 120.3 . . ?
C02H C025 H025 119.8 . . ?
C03I C025 H025 119.8 . . ?
C03I C025 C02H 120.5(3) . . ?
C018 C026 H026 119.9 . . ?
C03K C026 C018 120.2(3) . . ?
C03K C026 H026 119.9 . . ?
C010 C027 C01X 111.7(2) . . ?
C010 C027 H02A 109.3 . . ?
C010 C027 H02B 109.3 . . ?
C01X C027 H02A 109.3 . . ?
C01X C027 H02B 109.3 . . ?
H02A C027 H02B 108.0 . . ?
C022 C028 H028 119.9 . . ?
C022 C028 C02N 120.2(3) . . ?
C02N C028 H028 119.9 . . ?
C02F C029 H029 119.8 . . ?
C02T C029 H029 119.9 . . ?
C02T C029 C02F 120.3(3) . . ?
C02R C02A H02C 120.4 . . ?
C02R C02A C039 119.2(3) . . ?
C039 C02A H02C 120.4 . . ?
C00W C02B H02D 119.4 . . ?
C020 C02B C00W 121.3(3) . . ?
C020 C02B H02D 119.4 . . ?
P09 C02C H02E 109.1 . . ?
P09 C02C H02F 109.1 . . ?
C016 C02C P09 112.6(2) . . ?
C016 C02C H02E 109.1 . . ?
C016 C02C H02F 109.1 . . ?
H02E C02C H02F 107.8 . . ?
C01T C02D H02G 119.7 . . ?
C023 C02D C01T 120.6(3) . . ?
C023 C02D H02G 119.7 . . ?
C00V C02E H02H 119.7 . . ?
C03J C02E C00V 120.6(3) . . ?
C03J C02E H02H 119.7 . . ?
C029 C02F P06 123.2(3) . . ?
C02R C02F P06 118.4(2) . . ?
C02R C02F C029 118.2(3) . . ?
C021 C02G H02I 120.0 . . ?
C02Q C02G C021 120.0(3) . . ?
C02Q C02G H02I 120.0 . . ?
C025 C02H P08 119.6(3) . . ?
C032 C02H P08 121.4(2) . . ?
C032 C02H C025 118.4(3) . . ?
C03D C02I H02J 120.2 . . ?
C03I C02I H02J 120.2 . . ?
C03I C02I C03D 119.6(3) . . ?
C01L C02J C01Q 112.4(2) . . ?
C01L C02J H02K 109.1 . . ?
C01L C02J H02L 109.1 . . ?
C01Q C02J H02K 109.1 . . ?
C01Q C02J H02L 109.1 . . ?
H02K C02J H02L 107.8 . . ?
C01R C02K H02M 119.8 . . ?
C038 C02K C01R 120.3(3) . . ?
C038 C02K H02M 119.8 . . ?
C034 C02L P0A 119.5(2) . . ?
C03C C02L P0A 121.5(2) . . ?
C03C C02L C034 118.8(3) . . ?
C01Z C02M H02N 119.8 . . ?
C01Z C02M C02Y 120.4(3) . . ?
C02Y C02M H02N 119.8 . . ?
C028 C02N H02O 120.1 . . ?
C02S C02N C028 119.7(3) . . ?
C02S C02N H02O 120.1 . . ?
C01N C02O C01W 119.9(3) . . ?
C01N C02O H02P 120.1 . . ?
C01W C02O H02P 120.1 . . ?
C01R C02P H02Q 119.6 . . ?
C01U C02P C01R 120.8(3) . . ?
C01U C02P H02Q 119.6 . . ?
C02G C02Q H02R 120.1 . . ?
C03M C02Q C02G 119.8(3) . . ?
C03M C02Q H02R 120.1 . . ?
C02A C02R H02S 119.2 . . ?
C02F C02R C02A 121.5(3) . . ?
C02F C02R H02S 119.2 . . ?
C014 C02S H02T 119.7 . . ?
C02N C02S C014 120.6(3) . . ?
C02N C02S H02T 119.7 . . ?
C029 C02T H02U 119.6 . . ?
C039 C02T C029 120.9(3) . . ?
C039 C02T H02U 119.6 . . ?
C03C C02U H02V 120.1 . . ?
C03F C02U H02V 120.1 . . ?
C03F C02U C03C 119.8(3) . . ?
C01G C02V H02W 120.0 . . ?
C01G C02V C03M 120.0(3) . . ?
C03M C02V H02W 120.0 . . ?
C01D C02W H02X 120.0 . . ?
C03B C02W C01D 120.0(3) . . ?
C03B C02W H02X 120.0 . . ?
C031 C02X H02Y 120.1 . . ?
C03R C02X H02Y 120.1 . . ?
C03R C02X C031 119.9(3) . . ?
C02M C02Y H02Z 120.0 . . ?
C03B C02Y C02M 119.9(3) . . ?
C03B C02Y H02Z 120.0 . . ?
C03S N02Z C03T 123.1(4) . . ?
C03S N02Z C03U 120.8(4) . . ?
C03T N02Z C03U 115.7(4) . . ?
C01S C030 H030 120.3 . . ?
C03J C030 C01S 119.5(3) . . ?
C03J C030 H030 120.3 . . ?
C02X C031 P09 117.1(3) . . ?
C03A C031 P09 123.9(2) . . ?
C03A C031 C02X 118.9(3) . . ?
C02H C032 H032 119.6 . . ?
C03D C032 C02H 120.8(3) . . ?
C03D C032 H032 119.6 . . ?
C01M C033 H033 119.9 . . ?
C03E C033 C01M 120.2(3) . . ?
C03E C033 H033 119.9 . . ?
C02L C034 H034 119.7 . . ?
C035 C034 C02L 120.6(3) . . ?
C035 C034 H034 119.7 . . ?
C034 C035 H035 119.9 . . ?
C03F C035 C034 120.1(3) . . ?
C03F C035 H035 119.9 . . ?
C01Y C036 H036 119.4 . . ?
C01Y C036 C03N 121.2(3) . . ?
C03N C036 H036 119.4 . . ?
C03A C037 H037 120.3 . . ?
C03O C037 H037 120.3 . . ?
C03O C037 C03A 119.5(4) . . ?
C024 C038 H038 119.6 . . ?
C02K C038 C024 120.9(3) . . ?
C02K C038 H038 119.6 . . ?
C02A C039 H039 120.1 . . ?
C02T C039 C02A 119.9(3) . . ?
C02T C039 H039 120.1 . . ?
C031 C03A C037 120.9(3) . . ?
C031 C03A H03A 119.5 . . ?
C037 C03A H03A 119.5 . . ?
C02W C03B H03B 119.8 . . ?
C02Y C03B C02W 120.4(3) . . ?
C02Y C03B H03B 119.8 . . ?
C02L C03C C02U 120.5(3) . . ?
C02L C03C H03C 119.7 . . ?
C02U C03C H03C 119.7 . . ?
C02I C03D C032 120.2(3) . . ?
C02I C03D H03D 119.9 . . ?
C032 C03D H03D 119.9 . . ?
C033 C03E H03E 119.9 . . ?
C033 C03E C03H 120.3(3) . . ?
C03H C03E H03E 119.9 . . ?
C02U C03F H03F 119.9 . . ?
C035 C03F C02U 120.2(3) . . ?
C035 C03F H03F 119.9 . . ?
C01K C03G H03G 119.7 . . ?
C03L C03G C01K 120.7(3) . . ?
C03L C03G H03G 119.7 . . ?
C01V C03H H03H 119.9 . . ?
C03E C03H C01V 120.2(3) . . ?
C03E C03H H03H 119.9 . . ?
C025 C03I H03I 119.8 . . ?
C02I C03I C025 120.4(3) . . ?
C02I C03I H03I 119.8 . . ?
C02E C03J H03J 119.7 . . ?
C030 C03J C02E 120.6(3) . . ?
C030 C03J H03J 119.7 . . ?
C026 C03K H03K 120.0 . . ?
C026 C03K C03Q 120.0(3) . . ?
C03Q C03K H03K 120.0 . . ?
C03G C03L H03L 119.9 . . ?
C03N C03L C03G 120.1(3) . . ?
C03N C03L H03L 119.9 . . ?
C02Q C03M C02V 120.6(3) . . ?
C02Q C03M H03M 119.7 . . ?
C02V C03M H03M 119.7 . . ?
C036 C03N H03N 120.2 . . ?
C03L C03N C036 119.7(3) . . ?
C03L C03N H03N 120.2 . . ?
C037 C03O H03O 119.7 . . ?
C03R C03O C037 120.5(3) . . ?
C03R C03O H03O 119.7 . . ?
C012 C03P H03P 119.8 . . ?
C03Q C03P C012 120.3(3) . . ?
C03Q C03P H03P 119.8 . . ?
C03K C03Q C03P 120.2(4) . . ?
C03K C03Q H03Q 119.9 . . ?
C03P C03Q H03Q 119.9 . . ?
C02X C03R H03R 119.9 . . ?
C03O C03R C02X 120.2(3) . . ?
C03O C03R H03R 119.9 . . ?
O013 C03S N02Z 126.3(4) . . ?
O013 C03S H03S 116.8 . . ?
N02Z C03S H03S 116.8 . . ?
N02Z C03T H03T 109.5 . . ?
N02Z C03T H03U 109.5 . . ?
N02Z C03T H03V 109.5 . . ?
H03T C03T H03U 109.5 . . ?
H03T C03T H03V 109.5 . . ?
H03U C03T H03V 109.5 . . ?
N02Z C03U H03W 109.5 . . ?
N02Z C03U H03X 109.5 . . ?
N02Z C03U H03Y 109.5 . . ?
H03W C03U H03X 109.5 . . ?
H03W C03U H03Y 109.5 . . ?
H03X C03U H03Y 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Ag01 P04 C01L C02J -57.3(2) . . . . ?
Ag01 P04 C01T C01N -54.1(3) . . . . ?
Ag01 P04 C01T C02D 126.8(2) . . . . ?
Ag01 P04 C01Y C01K 178.2(2) . . . . ?
Ag01 P04 C01Y C036 2.0(3) . . . . ?
Ag01 P07 C015 C01M 3.0(3) . . . . ?
Ag01 P07 C015 C01V -177.8(2) . . . . ?
Ag01 P07 C01G C021 32.5(3) . . . . ?
Ag01 P07 C01G C02V -142.3(2) . . . . ?
Ag01 P07 C01X C027 -56.0(2) . . . . ?
Ag01 O00J C00Q C00R -134.5(2) . . . . ?
Ag01 O00J C00Q C00X 44.1(3) . . . . ?
Ag01 O00M C01F C011 37.5(4) 2_666 . . . ?
Ag01 O00M C01F C01A -142.52(19) 2_666 . . . ?
Ag02 P06 C01E C017 -44.9(3) . . . . ?
Ag02 P06 C01R C02K -150.1(2) . . . . ?
Ag02 P06 C01R C02P 33.1(2) . . . . ?
Ag02 P06 C02F C029 -171.6(2) . . . . ?
Ag02 P06 C02F C02R 2.3(3) . . . . ?
Ag02 P08 C00Y C01I 178.74(18) . . . . ?
Ag02 P08 C012 C018 154.7(2) . . . . ?
Ag02 P08 C012 C03P -31.6(3) . . . . ?
Ag02 P08 C02H C025 -76.7(2) . . . . ?
Ag02 P08 C02H C032 94.3(2) . . . . ?
Ag02 O00I C00S O00E -43.4(3) . . . . ?
Ag02 O00I C00S C00W 135.5(2) . . . . ?
Ag03 P09 C01Z C01D 19.7(2) . . . . ?
Ag03 P09 C01Z C02M -162.8(2) . . . . ?
Ag03 P09 C02C C016 -21.1(2) . . . . ?
Ag03 P09 C031 C02X -35.7(3) . . . . ?
Ag03 P09 C031 C03A 148.2(2) . . . . ?
Ag03 P0A C01J C01B 63.6(2) . . . . ?
Ag03 P0A C01O C014 -9.5(3) . . . . ?
Ag03 P0A C01O C022 173.2(2) . . . . ?
Ag03 P0A C02L C034 -85.1(3) . . . . ?
Ag03 P0A C02L C03C 90.4(3) . . . . ?
Ag03 O00L C01C O00G 39.9(4) . . . . ?
Ag03 O00L C01C C01H -138.8(2) . . . . ?
P04 C01L C02J C01Q -177.83(19) . . . . ?
P04 C01T C02D C023 178.7(2) . . . . ?
P04 C01Y C036 C03N 177.8(3) . . . . ?
P06 C01R C02K C038 -176.2(3) . . . . ?
P06 C01R C02P C01U 175.8(2) . . . . ?
P06 C02F C02R C02A -173.4(2) . . . . ?
P07 C015 C01M C033 -179.4(3) . . . . ?
P07 C015 C01V C03H 179.9(3) . . . . ?
P07 C01G C021 C02G -172.4(2) . . . . ?
P07 C01G C02V C03M 171.5(2) . . . . ?
P07 C01X C027 C010 -146.6(2) . . . . ?
P08 C00Y C01I C01Q -173.2(2) . . . . ?
P08 C012 C018 C026 173.7(2) . . . . ?
P08 C012 C03P C03Q -174.9(3) . . . . ?
P08 C02H C032 C03D -171.2(2) . . . . ?
P09 C01Z C02M C02Y -177.1(2) . . . . ?
P09 C031 C03A C037 177.0(3) . . . . ?
P0A C01O C022 C028 177.8(2) . . . . ?
P0A C02L C034 C035 176.4(3) . . . . ?
P0A C02L C03C C02U -176.1(3) . . . . ?
Al0B O00F C00R C00Q 1.7(3) 2_666 . . . ?
Al0B O00F C00R C01H -175.9(2) 2_666 . . . ?
Al0B O00H C01A C00W -176.2(2) . . . . ?
Al0B O00H C01A C01F 3.2(3) . . . . ?
Al0B O00J C00Q C00R 1.7(3) 2_666 . . . ?
Al0B O00J C00Q C00X -179.7(2) 2_666 . . . ?
Al0B O00K C00V C00T 9.8(4) . . . . ?
Al0B O00K C00V C02E -169.6(2) . . . . ?
Al0B O00M C01F C011 -179.4(2) . . . . ?
Al0B O00M C01F C01A 0.7(3) . . . . ?
Al0C O00D C00T C00V -101.2(3) 2_666 . . . ?
Al0C O00D C00T C00V 86.0(3) . . . . ?
Al0C O00D C00T C01S -94.1(3) . . . . ?
Al0C O00D C00T C01S 78.6(3) 2_666 . . . ?
Al0C O00E C00S O00I 164.50(19) . . . . ?
Al0C O00E C00S C00W -14.4(3) . . . . ?
Al0C O00F C00R C00Q -153.50(19) . . . . ?
Al0C O00F C00R C01H 28.9(3) . . . . ?
Al0C O00G C01C O00L 170.8(2) . . . . ?
Al0C O00G C01C C01H -10.5(4) . . . . ?
Al0C O00H C01A C00W 18.6(3) . . . . ?
Al0C O00H C01A C01F -161.97(17) . . . . ?
O00D Al0C O00D Al0C 0.0 2_666 . . 2_666 ?
O00D Al0C O00D C00T 174.2(3) 2_666 . . . ?
O00D Al0C O00E C00S 115.4(2) 2_666 . . . ?
O00D Al0C O00G C01C 96.0(6) 2_666 . . . ?
O00D Al0C O00G C01C 126.6(2) . . . . ?
O00D C00T C00V O00K 2.8(4) . . . . ?
O00D C00T C00V C02E -177.7(2) . . . . ?
O00D C00T C01S C030 179.8(3) . . . . ?
O00E Al0C O00G C01C -55.3(2) . . . . ?
O00E C00S C00W C01A -3.8(4) . . . . ?
O00E C00S C00W C02B 174.6(2) . . . . ?
O00F Al0B O00K C00V 33.0(3) 2_666 . . . ?
O00F Al0B O00M Ag01 72.19(16) 2_666 . . 2_666 ?
O00F Al0B O00M C01F -80.4(2) 2_666 . . . ?
O00F Al0C O00D Al0C -84.15(9) . . . 2_666 ?
O00F Al0C O00D C00T 90.1(2) . . . . ?
O00F Al0C O00E C00S -160.2(2) . . . . ?
O00F Al0C O00G C01C 36.2(2) . . . . ?
O00F C00R C01H C00Z -178.1(3) . . . . ?
O00F C00R C01H C01C 8.0(4) . . . . ?
O00G Al0C O00D Al0C -174.60(11) . . . 2_666 ?
O00G Al0C O00D C00T -0.4(2) . . . . ?
O00G Al0C O00E C00S -69.6(2) . . . . ?
O00G C01C C01H C00R -20.0(4) . . . . ?
O00G C01C C01H C00Z 166.3(3) . . . . ?
O00H Al0B O00K C00V -61.6(3) . . . . ?
O00H Al0B O00M Ag01 153.52(8) . . . 2_666 ?
O00H Al0B O00M C01F 0.92(17) . . . . ?
O00H Al0C O00D Al0C 90.72(9) . . . 2_666 ?
O00H Al0C O00D C00T -95.0(2) . . . . ?
O00H Al0C O00E C00S 25.3(2) . . . . ?
O00H Al0C O00G C01C -147.2(2) . . . . ?
O00H C01A C01F O00M -2.6(3) . . . . ?
O00H C01A C01F C011 177.4(2) . . . . ?
O00I C00S C00W C01A 177.3(2) . . . . ?
O00I C00S C00W C02B -4.3(4) . . . . ?
O00J Al0B O00K C00V 121.4(3) 2_666 . . . ?
O00J Al0B O00M Ag01 -1.86(8) 2_666 . . 2_666 ?
O00J Al0B O00M C01F -154.46(17) 2_666 . . . ?
O00J C00Q C00R O00F -2.2(3) . . . . ?
O00J C00Q C00R C01H 175.5(2) . . . . ?
O00J C00Q C00X C019 -179.7(3) . . . . ?
O00K Al0B O00M Ag01 -104.49(9) . . . 2_666 ?
O00K Al0B O00M C01F 102.91(18) . . . . ?
O00K C00V C02E C03J 176.9(3) . . . . ?
O00L C01C C01H C00R 158.8(3) . . . . ?
O00L C01C C01H C00Z -14.9(4) . . . . ?
O00M Al0B O00K C00V -149.2(2) . . . . ?
C00Q C00R C01H C00Z 4.5(4) . . . . ?
C00Q C00R C01H C01C -169.4(3) . . . . ?
C00Q C00X C019 C00Z 4.0(4) . . . . ?
C00R C00Q C00X C019 -1.1(4) . . . . ?
C00S C00W C01A O00H 0.1(4) . . . . ?
C00S C00W C01A C01F -179.2(2) . . . . ?
C00S C00W C02B C020 -179.0(2) . . . . ?
C00T C00V C02E C03J -2.5(4) . . . . ?
C00T C01S C030 C03J -1.6(5) . . . . ?
C00V C00T C01S C030 -0.4(4) . . . . ?
C00V C02E C03J C030 0.6(5) . . . . ?
C00W C01A C01F O00M 176.8(2) . . . . ?
C00W C01A C01F C011 -3.2(4) . . . . ?
C00X C00Q C00R O00F 179.1(2) . . . . ?
C00X C00Q C00R C01H -3.3(4) . . . . ?
C00Y P08 C012 C018 -78.0(3) . . . . ?
C00Y P08 C012 C03P 95.7(3) . . . . ?
C00Y P08 C02H C025 154.2(2) . . . . ?
C00Y P08 C02H C032 -34.8(3) . . . . ?
C00Y C01I C01Q C02J -56.9(4) . . . . ?
C010 C01B C01J P0A 179.9(2) . . . . ?
C011 C020 C02B C00W -0.5(4) . . . . ?
C012 P08 C00Y C01I 54.7(3) . . . . ?
C012 P08 C02H C025 45.0(3) . . . . ?
C012 P08 C02H C032 -144.0(2) . . . . ?
C012 C018 C026 C03K -0.2(5) . . . . ?
C012 C03P C03Q C03K 1.9(6) . . . . ?
C014 C01O C022 C028 0.5(4) . . . . ?
C015 P07 C01G C021 -93.4(3) . . . . ?
C015 P07 C01G C02V 91.8(3) . . . . ?
C015 P07 C01X C027 71.9(2) . . . . ?
C015 C01M C033 C03E -1.0(5) . . . . ?
C015 C01V C03H C03E -0.2(5) . . . . ?
C018 C012 C03P C03Q -0.9(5) . . . . ?
C018 C026 C03K C03Q 1.2(5) . . . . ?
C019 C00Z C01H C00R -1.5(4) . . . . ?
C019 C00Z C01H C01C 172.4(3) . . . . ?
C01A C00W C02B C020 -0.5(4) . . . . ?
C01B C010 C027 C01X -172.8(2) . . . . ?
C01D C01Z C02M C02Y 0.3(4) . . . . ?
C01D C02W C03B C02Y 0.5(4) . . . . ?
C01E P06 C01R C02K 80.0(3) . . . . ?
C01E P06 C01R C02P -96.7(2) . . . . ?
C01E P06 C02F C029 -38.4(3) . . . . ?
C01E P06 C02F C02R 135.4(2) . . . . ?
C01E C017 C01P C016 -159.0(3) . . . . ?
C01F C011 C020 C02B -0.3(4) . . . . ?
C01G P07 C015 C01M 125.8(3) . . . . ?
C01G P07 C015 C01V -55.0(3) . . . . ?
C01G P07 C01X C027 -179.2(2) . . . . ?
C01G C021 C02G C02Q 0.4(5) . . . . ?
C01G C02V C03M C02Q 1.0(5) . . . . ?
C01H C00Z C019 C00X -2.7(4) . . . . ?
C01I C01Q C02J C01L -60.3(3) . . . . ?
C01J P0A C01O C014 117.9(2) . . . . ?
C01J P0A C01O C022 -59.5(3) . . . . ?
C01J P0A C02L C034 149.9(3) . . . . ?
C01J P0A C02L C03C -34.7(3) . . . . ?
C01K C01Y C036 C03N 1.5(5) . . . . ?
C01K C03G C03L C03N 1.0(5) . . . . ?
C01L P04 C01T C01N 75.5(3) . . . . ?
C01L P04 C01T C02D -103.6(3) . . . . ?
C01L P04 C01Y C01K 49.0(3) . . . . ?
C01L P04 C01Y C036 -127.3(3) . . . . ?
C01M C015 C01V C03H -0.8(5) . . . . ?
C01M C033 C03E C03H 0.0(5) . . . . ?
C01N C01T C02D C023 -0.3(5) . . . . ?
C01O P0A C01J C01B -65.4(2) . . . . ?
C01O P0A C02L C034 42.0(3) . . . . ?
C01O P0A C02L C03C -142.5(3) . . . . ?
C01O C014 C02S C02N -0.7(5) . . . . ?
C01O C022 C028 C02N -0.5(4) . . . . ?
C01P C016 C02C P09 -55.5(3) . . . . ?
C01P C017 C01E P06 173.6(2) . . . . ?
C01R P06 C01E C017 74.8(2) . . . . ?
C01R P06 C02F C029 70.0(3) . . . . ?
C01R P06 C02F C02R -116.1(2) . . . . ?
C01R C02K C038 C024 0.3(5) . . . . ?
C01S C00T C00V O00K -177.0(3) . . . . ?
C01S C00T C00V C02E 2.4(4) . . . . ?
C01S C030 C03J C02E 1.5(5) . . . . ?
C01T P04 C01L C02J 177.9(2) . . . . ?
C01T P04 C01Y C01K -58.6(3) . . . . ?
C01T P04 C01Y C036 125.2(3) . . . . ?
C01T C01N C02O C01W -1.6(5) . . . . ?
C01U C024 C038 C02K -0.4(5) . . . . ?
C01V C015 C01M C033 1.4(5) . . . . ?
C01W C023 C02D C01T -1.1(5) . . . . ?
C01X P07 C015 C01M -125.2(3) . . . . ?
C01X P07 C015 C01V 54.0(3) . . . . ?
C01X P07 C01G C021 159.1(2) . . . . ?
C01X P07 C01G C02V -15.7(3) . . . . ?
C01Y P04 C01L C02J 65.3(2) . . . . ?
C01Y P04 C01T C01N -175.6(2) . . . . ?
C01Y P04 C01T C02D 5.4(3) . . . . ?
C01Y C01K C03G C03L -0.1(5) . . . . ?
C01Y C036 C03N C03L -0.6(5) . . . . ?
C01Z P09 C02C C016 -150.1(2) . . . . ?
C01Z P09 C031 C02X 87.3(3) . . . . ?
C01Z P09 C031 C03A -88.8(3) . . . . ?
C01Z C01D C02W C03B -0.3(4) . . . . ?
C01Z C02M C02Y C03B -0.2(4) . . . . ?
C020 C011 C01F O00M -177.8(2) . . . . ?
C020 C011 C01F C01A 2.1(4) . . . . ?
C021 C01G C02V C03M -3.2(5) . . . . ?
C021 C02G C02Q C03M -2.7(5) . . . . ?
C022 C028 C02N C02S -0.2(5) . . . . ?
C023 C01W C02O C01N 0.2(5) . . . . ?
C024 C01U C02P C01R 1.0(5) . . . . ?
C025 C02H C032 C03D -0.1(4) . . . . ?
C026 C03K C03Q C03P -2.0(6) . . . . ?
C027 C010 C01B C01J -174.8(2) . . . . ?
C028 C02N C02S C014 0.7(5) . . . . ?
C029 C02F C02R C02A 0.7(5) . . . . ?
C029 C02T C039 C02A 0.5(5) . . . . ?
C02B C00W C01A O00H -178.3(2) . . . . ?
C02B C00W C01A C01F 2.3(4) . . . . ?
C02C P09 C01Z C01D 148.7(2) . . . . ?
C02C P09 C01Z C02M -33.8(3) . . . . ?
C02C P09 C031 C02X -162.2(2) . . . . ?
C02C P09 C031 C03A 21.7(3) . . . . ?
C02C C016 C01P C017 -177.8(3) . . . . ?
C02F P06 C01E C017 -172.1(2) . . . . ?
C02F P06 C01R C02K -28.5(3) . . . . ?
C02F P06 C01R C02P 154.8(2) . . . . ?
C02F C029 C02T C039 -0.9(5) . . . . ?
C02G C02Q C03M C02V 2.0(5) . . . . ?
C02H P08 C00Y C01I -55.9(3) . . . . ?
C02H P08 C012 C018 34.0(3) . . . . ?
C02H P08 C012 C03P -152.3(2) . . . . ?
C02H C025 C03I C02I -1.1(5) . . . . ?
C02H C032 C03D C02I -0.5(4) . . . . ?
C02K C01R C02P C01U -1.1(5) . . . . ?
C02L P0A C01J C01B -173.4(2) . . . . ?
C02L P0A C01O C014 -132.8(2) . . . . ?
C02L P0A C01O C022 49.9(3) . . . . ?
C02L C034 C035 C03F -0.1(5) . . . . ?
C02M C02Y C03B C02W -0.2(4) . . . . ?
C02O C01N C01T P04 -177.4(2) . . . . ?
C02O C01N C01T C02D 1.7(5) . . . . ?
C02O C01W C023 C02D 1.1(5) . . . . ?
C02P C01R C02K C038 0.5(5) . . . . ?
C02P C01U C024 C038 -0.2(5) . . . . ?
C02R C02A C039 C02T 0.6(5) . . . . ?
C02S C014 C01O P0A -177.3(2) . . . . ?
C02S C014 C01O C022 0.1(4) . . . . ?
C02T C029 C02F P06 174.2(2) . . . . ?
C02T C029 C02F C02R 0.3(5) . . . . ?
C02V C01G C021 C02G 2.6(5) . . . . ?
C02W C01D C01Z P09 177.4(2) . . . . ?
C02W C01D C01Z C02M -0.1(4) . . . . ?
C02X C031 C03A C037 0.9(5) . . . . ?
C031 P09 C01Z C01D -99.7(2) . . . . ?
C031 P09 C01Z C02M 77.7(2) . . . . ?
C031 P09 C02C C016 102.4(2) . . . . ?
C031 C02X C03R C03O -0.6(5) . . . . ?
C033 C03E C03H C01V 0.5(5) . . . . ?
C034 C02L C03C C02U -0.6(5) . . . . ?
C034 C035 C03F C02U -0.7(6) . . . . ?
C037 C03O C03R C02X 0.3(5) . . . . ?
C039 C02A C02R C02F -1.2(5) . . . . ?
C03A C037 C03O C03R 0.6(5) . . . . ?
C03C C02L C034 C035 0.8(5) . . . . ?
C03C C02U C03F C035 0.9(6) . . . . ?
C03D C02I C03I C025 0.5(5) . . . . ?
C03F C02U C03C C02L -0.2(5) . . . . ?
C03G C01K C01Y P04 -177.3(3) . . . . ?
C03G C01K C01Y C036 -1.1(5) . . . . ?
C03G C03L C03N C036 -0.7(5) . . . . ?
C03I C025 C02H P08 172.2(2) . . . . ?
C03I C025 C02H C032 0.9(4) . . . . ?
C03I C02I C03D C032 0.3(5) . . . . ?
C03O C037 C03A C031 -1.3(5) . . . . ?
C03P C012 C018 C026 0.1(4) . . . . ?
C03R C02X C031 P09 -176.3(2) . . . . ?
C03R C02X C031 C03A 0.0(4) . . . . ?
C03T N02Z C03S O013 2.3(7) . . . . ?
C03U N02Z C03S O013 174.6(5) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.110 0.210 0.634 23.8 0.0 ?
2 0.114 0.166 0.935 29.5 0.0 ?
3 0.000 0.500 0.500 61.2 0.0 ?
4 -0.110 0.790 0.366 23.8 0.0 ?
5 -0.114 0.834 0.065 29.5 0.0 ?
6 0.500 0.000 0.500 21.6 0.0 ?

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 2.853
_oxdiff_exptl_absorpt_empirical_full_min 0.319
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_AlOC-173
_database_code_depnum_ccdc_archive 'CCDC 2303397'
loop_
_audit_author_name
_audit_author_address
'Fan Yang'
;UCAS
China
;
_audit_update_record             
;
2023-12-08 deposited with the CCDC.	2024-07-17 downloaded from the CCDC.
;
_audit_creation_date             2023-11-03
_audit_creation_method           
;
Olex2 1.5-beta
(compiled 2023.08.24 svn.re1ec1418 for OlexSys, GUI svn.r6817)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C140 H108 Ag4 Al4 O20 P8'
_chemical_formula_sum            'C140 H108 Ag4 Al4 O20 P8'
_chemical_formula_weight         2897.42
_chemical_melting_point          ?
_chemical_oxdiff_formula         'Al Ag C H O N P'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0147 0.0070 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag 0.0957 3.3549 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Al Al 0.1763 0.1843 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0412 0.0250 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2594 0.3349 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   14.6487(3)
_cell_length_b                   15.1376(3)
_cell_length_c                   17.0263(3)
_cell_angle_alpha                96.706(2)
_cell_angle_beta                 112.108(2)
_cell_angle_gamma                98.931(2)
_cell_volume                     3391.61(12)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    25428
_cell_measurement_temperature    100.00(10)
_cell_measurement_theta_max      60.2950
_cell_measurement_theta_min      2.8980
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    4.132
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  1.00000
_exptl_absorpt_correction_type   sphere
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.115a (Rigaku Oxford Diffraction, 2021)
Spherical absorption correction
using equivalent radius and absorption coefficient.
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.419
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       sphere
_exptl_crystal_F_000             1468
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_crystal_size_rad          0.400
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0711
_diffrn_reflns_av_unetI/netI     0.0685
_diffrn_reflns_Laue_measured_fraction_full 0.970
_diffrn_reflns_Laue_measured_fraction_max 0.970
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            31985
_diffrn_reflns_point_group_measured_fraction_full 0.970
_diffrn_reflns_point_group_measured_fraction_max 0.970
_diffrn_reflns_theta_full        53.543
_diffrn_reflns_theta_max         53.854
_diffrn_reflns_theta_min         2.481
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.00(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.970
_diffrn_measured_fraction_theta_max 0.970
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     66.00 106.00   0.50    0.26    --   76.66-125.00-150.00   80
  2  ω     21.00 105.00   0.50    0.26    --   76.66-125.00 -90.00  168
  3  ω     20.00  45.00   0.50    0.26    --   76.66-125.00  30.00   50
  4  ω     50.00 108.00   0.50    0.26    --   76.66-125.00  30.00  116
  5  ω     80.00 106.00   0.50    0.26    --   76.66 -99.00  90.00   52
  6  ω      4.00  71.00   0.50    0.26    --   76.66 -99.00  90.00  134
  7  ω      1.00  36.00   0.50    0.26    --   76.66 -38.00  30.00   70
  8  ω     27.00  54.00   0.50    0.26    --   76.66 -61.00  11.00   54
  9  ω     18.00  48.00   0.50    0.26    --   76.66 -77.00   0.00   60
 10  ω     58.00 106.00   0.50    0.26    --   76.66 -77.00   0.00   96
 11  ω     29.00  93.00   0.50    0.26    --   76.66 -77.00-150.00  128
 12  ω     65.00 149.00   0.50    0.26    --   76.66  57.00-180.00  168
 13  ω     96.00 148.00   0.50    0.26    --   76.66 125.00 -30.00  104
 14  ω     79.00 147.00   0.50    0.26    --   76.66 125.00  30.00  136
 15  ω     53.00 100.00   0.50    0.26    --   76.66  61.00 149.00   94
 16  ω    -27.00  -2.00   0.50    0.26    --  -77.91  38.00 -30.00   50
 17  ω   -105.00 -28.00   0.50    0.26    --  -77.91 125.00 -90.00  154
 18  ω    -76.00 -11.00   0.50    0.26    --  -77.91  61.00 149.00  130
 19  ω    -20.00  66.00   0.50    0.06    --   -0.62  61.00 149.00  172
 20  ω    -74.00 -17.00   0.50    0.06    --   -0.62 -61.00  11.00  114
 21  ω   -135.00 -90.00   0.50    0.26    --  -77.91-125.00 150.00   90
 22  ω   -144.00 -89.00   0.50    0.26    --  -77.91 -99.00 -30.00  110
 23  ω   -105.00 -79.00   0.50    0.26    --  -77.91-125.00-180.00   52
 24  ω   -152.00 -54.00   0.50    0.26    --  -77.91 -61.00  11.00  196
 25  ω     -2.00  36.00   0.50    0.06    --   -0.62 -99.00  30.00   76
 26  ω      5.00  35.00   0.50    0.06    --   -0.62 -99.00-120.00   60
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'ROD, Synergy Custom system, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0493204000
_diffrn_orient_matrix_UB_12      0.0768832000
_diffrn_orient_matrix_UB_13      -0.0105137000
_diffrn_orient_matrix_UB_21      -0.0857937000
_diffrn_orient_matrix_UB_22      0.0093731000
_diffrn_orient_matrix_UB_23      -0.0613947000
_diffrn_orient_matrix_UB_31      -0.0205569000
_diffrn_orient_matrix_UB_32      0.0482295000
_diffrn_orient_matrix_UB_33      0.0600141000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Ga K\a'
_diffrn_radiation_wavelength     1.3405
_diffrn_source                   'micro-focus metaljet'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                10084
_reflns_number_total             12066
_reflns_odcompleteness_completeness 97.69
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     53.78
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.41.115a (Rigaku OD, 2021)'
_computing_data_collection       'CrysAlisPro 1.171.41.115a (Rigaku OD, 2021)'
_computing_data_reduction        'CrysAlisPro 1.171.41.115a (Rigaku OD, 2021)'
_computing_molecular_graphics    'Olex2 1.5-beta (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5-beta (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         1.752
_refine_diff_density_min         -1.746
_refine_diff_density_rms         0.144
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.917
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     793
_refine_ls_number_reflns         12066
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0635
_refine_ls_R_factor_gt           0.0533
_refine_ls_restrained_S_all      0.917
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1472P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1543
_refine_ls_wR_factor_ref         0.1709
_refine_special_details          ?
_olex2_refinement_description    
;
1. Others
 Fixed Uiso: H00P(0.032) H00Q(0.038) H00R(0.044) H00U(0.03) H00X(0.04)
 H00Y(0.031) H00Z(0.04) H010(0.035) H01A(0.029) H01B(0.029) H012(0.039)
 H013(0.032) H014(0.036) H015(0.037) H016(0.034) H019(0.039) H01C(0.033)
 H01D(0.041) H01F(0.041) H01G(0.033) H01I(0.043) H01J(0.043) H01K(0.04)
 H01L(0.032) H01M(0.038) H01N(0.038) H01O(0.039) H01P(0.045) H01Q(0.041)
 H01H(0.032) H01E(0.032) H01T(0.046) H01U(0.048) H01V(0.043) H01W(0.046)
 H01X(0.045) H01Y(0.045) H01Z(0.046) H020(0.053) H021(0.041) H022(0.064)
 H023(0.055) H025(0.072) H026(0.05) H027(0.061) H028(0.05) H029(0.052)
 H02A(0.059) H02B(0.053) H02C(0.055) H02D(0.088) H02E(0.059) H02F(0.091)
 H02G(0.069)
 Fixed X: H00P(0.472248) H00Q(0.642165) H00R(-0.191912) H00U(0.954718)
 H00X(0.216123) H00Y(-0.086083) H00Z(0.700204) H010(-0.034732) H01A(0.392669)
 H01B(0.391378) H012(0.507649) H013(0.542415) H014(0.22869) H015(0.251076)
 H016(0.624987) H019(-0.211317) H01C(1.042974) H01D(0.550682) H01F(0.573965)
 H01G(-0.123433) H01I(0.668063) H01J(0.044594) H01K(0.649442) H01L(0.960445)
 H01M(0.427863) H01N(-0.296909) H01O(-0.250099) H01P(0.763703) H01Q(-0.081357)
 H01H(-0.019311) H01E(0.05461) H01T(0.180576) H01U(0.026521) H01V(0.093648)
 H01W(0.512495) H01X(0.272774) H01Y(0.22149) H01Z(0.271655) H020(-0.268874)
 H021(0.278957) H022(0.032994) H023(0.232011) H025(0.343134) H026(0.316968)
 H027(0.207249) H028(0.150143) H029(0.33421) H02A(-0.186279) H02B(0.255406)
 H02C(-0.032323) H02D(-0.032026) H02E(0.495413) H02F(0.077093) H02G(0.249379)
 Fixed Y: H00P(0.168091) H00Q(0.746425) H00R(0.317938) H00U(0.709671) H00X(-
 0.040016) H00Y(0.473449) H00Z(0.392336) H010(0.440783) H01A(0.144274)
 H01B(0.227133) H012(0.3907) H013(0.295647) H014(0.356828) H015(0.212122)
 H016(0.342591) H019(0.466505) H01C(0.697244) H01D(0.678222) H01F(0.107407)
 H01G(0.197934) H01I(0.48355) H01J(0.195616) H01K(0.194483) H01L(0.616591)
 H01M(0.542538) H01N(0.32708) H01O(0.192962) H01P(0.485802) H01Q(0.379179)
 H01H(0.459696) H01E(0.489913) H01T(0.295394) H01U(0.309965) H01V(0.586016)
 H01W(0.181628) H01X(0.829026) H01Y(0.20356) H01Z(0.151779) H020(0.238537)
 H021(0.606063) H022(0.056338) H023(-0.09968) H025(0.050181) H026(0.024911)
 H027(0.10785) H028(0.742013) H029(0.761952) H02A(0.144266) H02B(-0.005595)
 H02C(0.120767) H02D(-0.065185) H02E(0.085108) H02F(-0.138712) H02G(-0.096153)
 Fixed Z: H00P(0.60301) H00Q(0.866645) H00R(0.650248) H00U(0.535187)
 H00X(0.554696) H00Y(0.546054) H00Z(0.798261) H010(0.838693) H01A(0.725707)
 H01B(0.675456) H012(0.962346) H013(0.744711) H014(0.932358) H015(0.495859)
 H016(0.458311) H019(0.408755) H01C(0.67912) H01D(0.935295) H01F(0.541757)
 H01G(0.491544) H01I(1.016328) H01J(0.741114) H01K(0.469307) H01L(0.749977)
 H01M(0.86608) H01N(0.316681) H01O(0.356981) H01P(0.933225) H01Q(0.940984)
 H01H(0.71366) H01E(0.667682) H01T(1.035383) H01U(1.040576) H01V(0.915905)
 H01W(0.924253) H01X(0.942118) H01Y(0.859327) H01Z(0.372498) H020(0.72785)
 H021(0.79038) H022(0.61789) H023(0.428628) H025(1.03368) H026(0.752216)
 H027(0.954717) H028(0.973053) H029(0.846816) H02A(0.815402) H02B(0.336779)
 H02C(0.820706) H02D(0.6678) H02E(1.019499) H02F(0.762675) H02G(0.803018)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag01 Ag 0.27649(2) 0.38959(2) 0.78077(2) 0.02375(12) Uani 1 1 d . . . . .
Ag02 Ag 0.13679(2) 0.26792(2) 0.62176(2) 0.02554(12) Uani 1 1 d . . . . .
P003 P 0.37711(8) 0.27337(7) 0.80550(6) 0.0226(2) Uani 1 1 d . . . . .
P004 P 0.14780(7) 0.45800(7) 0.80372(6) 0.0232(2) Uani 1 1 d . . . . .
P005 P 0.22612(8) 0.14566(7) 0.63648(6) 0.0248(2) Uani 1 1 d . . . . .
P006 P 0.00155(8) 0.33059(7) 0.63688(6) 0.0234(2) Uani 1 1 d . . . . .
Al07 Al 0.37447(8) 0.42192(7) 0.59650(6) 0.0201(2) Uani 1 1 d . . . . .
Al08 Al 0.58388(8) 0.54144(8) 0.58243(6) 0.0211(2) Uani 1 1 d . . . . .
O009 O 0.48614(19) 0.52431(18) 0.63318(14) 0.0218(5) Uani 1 1 d . . . . .
O00A O 0.51299(19) 0.42743(17) 0.51323(14) 0.0207(5) Uani 1 1 d . . . . .
O00B O 0.6768(2) 0.49611(19) 0.66354(15) 0.0260(6) Uani 1 1 d . . . . .
O00C O 0.66948(19) 0.55402(18) 0.51738(15) 0.0223(5) Uani 1 1 d . . . . .
O00D O 0.37573(19) 0.45806(18) 0.70418(15) 0.0230(5) Uani 1 1 d . . . . .
O00E O 0.42644(19) 0.32515(18) 0.59965(15) 0.0242(6) Uani 1 1 d . . . . .
O00F O 0.76210(19) 0.63413(18) 0.43759(15) 0.0236(5) Uani 1 1 d . . . . .
O00G O 0.6345(2) 0.66031(18) 0.63852(15) 0.0244(6) Uani 1 1 d . . . . .
O00H O 0.8285(2) 0.4935(2) 0.75886(18) 0.0401(7) Uani 1 1 d . . . . .
O00I O 0.6945(3) 0.7779(2) 0.7466(2) 0.0547(10) Uani 1 1 d . . . . .
C00J C 0.4867(3) 0.2912(3) 0.5662(2) 0.0227(8) Uani 1 1 d . . . . .
C00K C 0.1021(3) 0.4057(3) 0.8764(2) 0.0254(8) Uani 1 1 d . . . . .
C00L C 0.5093(3) 0.5724(3) 0.7143(2) 0.0247(8) Uani 1 1 d . . . . .
C00M C 0.2335(3) 0.0933(3) 0.5387(2) 0.0261(8) Uani 1 1 d . . . . .
C00N C 0.7703(3) 0.5885(2) 0.5654(2) 0.0219(7) Uani 1 1 d . . . . .
C00O C 0.8210(3) 0.5780(3) 0.6492(2) 0.0220(7) Uani 1 1 d . . . . .
C00P C 0.5028(3) 0.2035(3) 0.5733(2) 0.0263(8) Uani 1 1 d . . . . .
H00P H 0.472248 0.168091 0.603010 0.032 Uiso 1 1 calc R U . . .
C00Q C 0.5937(3) 0.6912(3) 0.8376(2) 0.0320(9) Uani 1 1 d . . . . .
H00Q H 0.642165 0.746425 0.866645 0.038 Uiso 1 1 calc R U . . .
C00R C -0.1590(4) 0.2779(3) 0.6846(3) 0.0370(10) Uani 1 1 d . . . . .
H00R H -0.191912 0.317938 0.650248 0.044 Uiso 1 1 calc R U . . .
C00S C -0.0956(3) 0.3351(3) 0.5335(2) 0.0241(8) Uani 1 1 d . . . . .
C00T C -0.0653(3) 0.2651(3) 0.6891(2) 0.0274(8) Uani 1 1 d . . . . .
C00U C 0.9210(3) 0.6765(3) 0.5641(2) 0.0247(8) Uani 1 1 d . . . . .
H00U H 0.954718 0.709671 0.535187 0.030 Uiso 1 1 calc R U . . .
C00V C 0.4492(3) 0.5323(3) 0.7539(2) 0.0228(8) Uani 1 1 d . . . . .
C00W C 0.5079(3) 0.3325(3) 0.8478(2) 0.0242(8) Uani 1 1 d . . . . .
C00X C 0.2268(3) -0.0009(3) 0.5178(3) 0.0337(9) Uani 1 1 d . . . . .
H00X H 0.216123 -0.040016 0.554696 0.040 Uiso 1 1 calc R U . . .
C00Y C -0.1199(3) 0.4164(3) 0.5082(2) 0.0259(8) Uani 1 1 d . . . . .
H00Y H -0.086083 0.473449 0.546054 0.031 Uiso 1 1 calc R U . . .
C00Z C 0.6610(3) 0.3913(3) 0.8318(2) 0.0332(9) Uani 1 1 d . . . . .
H00Z H 0.700204 0.392336 0.798261 0.040 Uiso 1 1 calc R U . . .
C010 C 0.0096(3) 0.4118(3) 0.8787(2) 0.0294(9) Uani 1 1 d . . . . .
H010 H -0.034732 0.440783 0.838693 0.035 Uiso 1 1 calc R U . . .
C011 C 0.3584(3) 0.1946(3) 0.7082(2) 0.0244(8) Uani 1 1 d . . . . .
H01A H 0.392669 0.144274 0.725707 0.029 Uiso 1 1 calc R U . . .
H01B H 0.391378 0.227133 0.675456 0.029 Uiso 1 1 calc R U . . .
C012 C 0.5470(3) 0.3901(3) 0.9289(2) 0.0324(9) Uani 1 1 d . . . . .
H012 H 0.507649 0.390700 0.962346 0.039 Uiso 1 1 calc R U . . .
C013 C 0.5671(3) 0.3342(3) 0.7998(2) 0.0268(8) Uani 1 1 d . . . . .
H013 H 0.542415 0.295647 0.744711 0.032 Uiso 1 1 calc R U . . .
C014 C 0.1658(3) 0.3620(3) 0.9344(2) 0.0298(9) Uani 1 1 d . . . . .
H014 H 0.228690 0.356828 0.932358 0.036 Uiso 1 1 calc R U . . .
C015 C 0.2483(3) 0.1487(3) 0.4830(2) 0.0305(9) Uani 1 1 d . . . . .
H015 H 0.251076 0.212122 0.495859 0.037 Uiso 1 1 calc R U . . .
C016 C 0.5935(3) 0.3071(3) 0.4873(2) 0.0283(8) Uani 1 1 d . . . . .
H016 H 0.624987 0.342591 0.458311 0.034 Uiso 1 1 calc R U . . .
C017 C 0.5801(3) 0.6530(3) 0.7540(2) 0.0246(8) Uani 1 1 d . . . . .
C018 C 0.5332(3) 0.3427(3) 0.5224(2) 0.0231(8) Uani 1 1 d . . . . .
C019 C -0.1945(3) 0.4119(3) 0.4266(2) 0.0325(9) Uani 1 1 d . . . . .
H019 H -0.211317 0.466505 0.408755 0.039 Uiso 1 1 calc R U . . .
C01A C 0.8206(3) 0.6355(3) 0.5219(2) 0.0226(8) Uani 1 1 d . . . . .
C01B C 0.9734(3) 0.6691(3) 0.6497(2) 0.0277(8) Uani 1 1 d . . . . .
H01C H 1.042974 0.697244 0.679120 0.033 Uiso 1 1 calc R U . . .
C01C C 0.7742(3) 0.5193(3) 0.6957(2) 0.0271(8) Uani 1 1 d . . . . .
C01D C 0.5389(3) 0.6510(3) 0.8782(2) 0.0342(10) Uani 1 1 d . . . . .
H01D H 0.550682 0.678222 0.935295 0.041 Uiso 1 1 calc R U . . .
C01E C 0.3690(3) 0.2025(3) 0.8828(2) 0.0282(9) Uani 1 1 d . . . . .
C01F C 0.5636(3) 0.1673(3) 0.5370(3) 0.0343(10) Uani 1 1 d . . . . .
H01F H 0.573965 0.107407 0.541757 0.041 Uiso 1 1 calc R U . . .
C01G C -0.1427(3) 0.2525(3) 0.4757(2) 0.0273(8) Uani 1 1 d . . . . .
H01G H -0.123433 0.197934 0.491544 0.033 Uiso 1 1 calc R U . . .
C01H C 0.1814(3) 0.5803(3) 0.8471(2) 0.0263(8) Uani 1 1 d . . . . .
C01I C 0.6417(3) 0.4458(3) 0.9607(3) 0.0360(10) Uani 1 1 d . . . . .
H01I H 0.668063 0.483550 1.016328 0.043 Uiso 1 1 calc R U . . .
C01J C -0.0186(4) 0.2057(3) 0.7390(3) 0.0360(10) Uani 1 1 d . . . . .
H01J H 0.044594 0.195616 0.741114 0.043 Uiso 1 1 calc R U . . .
C01K C 0.6084(3) 0.2190(3) 0.4942(3) 0.0332(9) Uani 1 1 d . . . . .
H01K H 0.649442 0.194483 0.469307 0.040 Uiso 1 1 calc R U . . .
C01L C 0.9242(3) 0.6209(3) 0.6916(2) 0.0270(8) Uani 1 1 d . . . . .
H01L H 0.960445 0.616591 0.749977 0.032 Uiso 1 1 calc R U . . .
C01M C 0.4655(3) 0.5704(3) 0.8373(2) 0.0318(9) Uani 1 1 d . . . . .
H01M H 0.427863 0.542538 0.866080 0.038 Uiso 1 1 calc R U . . .
C01N C -0.2443(3) 0.3293(3) 0.3712(2) 0.0318(9) Uani 1 1 d . . . . .
H01N H -0.296909 0.327080 0.316681 0.038 Uiso 1 1 calc R U . . .
C01O C -0.2172(3) 0.2497(3) 0.3956(2) 0.0325(9) Uani 1 1 d . . . . .
H01O H -0.250099 0.192962 0.356981 0.039 Uiso 1 1 calc R U . . .
C01P C 0.6987(3) 0.4468(3) 0.9116(3) 0.0372(10) Uani 1 1 d . . . . .
H01P H 0.763703 0.485802 0.933225 0.045 Uiso 1 1 calc R U . . .
C01Q C -0.0178(3) 0.3753(3) 0.9397(3) 0.0341(9) Uani 1 1 d . . . . .
H01Q H -0.081357 0.379179 0.940984 0.041 Uiso 1 1 calc R U . . .
C01R C 0.6408(3) 0.7005(3) 0.7118(2) 0.0290(9) Uani 1 1 d . . . . .
C01S C 0.0383(3) 0.4455(3) 0.7013(2) 0.0268(9) Uani 1 1 d . . . . .
H01H H -0.019311 0.459696 0.713660 0.032 Uiso 1 1 calc R U . . .
H01E H 0.054610 0.489913 0.667682 0.032 Uiso 1 1 calc R U . . .
C01T C 0.1372(4) 0.3254(3) 0.9958(3) 0.0380(10) Uani 1 1 d . . . . .
H01T H 0.180576 0.295394 1.035383 0.046 Uiso 1 1 calc R U . . .
C01U C 0.0457(4) 0.3334(4) 0.9983(3) 0.0404(11) Uani 1 1 d . . . . .
H01U H 0.026521 0.309965 1.040576 0.048 Uiso 1 1 calc R U . . .
C01V C 0.1429(3) 0.6213(3) 0.9019(3) 0.0357(10) Uani 1 1 d . . . . .
H01V H 0.093648 0.586016 0.915905 0.043 Uiso 1 1 calc R U . . .
C01W C 0.4502(4) 0.1670(3) 0.9302(3) 0.0382(10) Uani 1 1 d . . . . .
H01W H 0.512495 0.181628 0.924253 0.046 Uiso 1 1 calc R U . . .
C01X C 0.2488(4) 0.7660(3) 0.9172(3) 0.0379(10) Uani 1 1 d . . . . .
H01X H 0.272774 0.829026 0.942118 0.045 Uiso 1 1 calc R U . . .
C01Y C 0.2776(4) 0.1800(3) 0.8917(3) 0.0373(10) Uani 1 1 d . . . . .
H01Y H 0.221490 0.203560 0.859327 0.045 Uiso 1 1 calc R U . . .
C01Z C 0.2589(4) 0.1129(3) 0.4089(3) 0.0383(10) Uani 1 1 d . . . . .
H01Z H 0.271655 0.151779 0.372498 0.046 Uiso 1 1 calc R U . . .
C020 C -0.2043(4) 0.2311(4) 0.7314(3) 0.0444(12) Uani 1 1 d . . . . .
H020 H -0.268874 0.238537 0.727850 0.053 Uiso 1 1 calc R U . . .
C021 C 0.2524(3) 0.6334(3) 0.8277(3) 0.0342(10) Uani 1 1 d . . . . .
H021 H 0.278957 0.606063 0.790380 0.041 Uiso 1 1 calc R U . . .
C022 C 0.0775(4) 0.0253(4) 0.6552(4) 0.0532(13) Uani 1 1 d . . . . .
H022 H 0.032994 0.056338 0.617890 0.064 Uiso 1 1 calc R U . . .
C023 C 0.2360(4) -0.0362(3) 0.4427(3) 0.0459(12) Uani 1 1 d . . . . .
H023 H 0.232011 -0.099680 0.428628 0.055 Uiso 1 1 calc R U . . .
C024 C 0.1806(3) 0.0520(3) 0.6792(3) 0.0319(9) Uani 1 1 d . . . . .
C025 C 0.3498(5) 0.0888(4) 0.9951(3) 0.0600(16) Uani 1 1 d . . . . .
H025 H 0.343134 0.050181 1.033680 0.072 Uiso 1 1 calc R U . . .
C026 C 0.2461(4) 0.0070(3) 0.7351(3) 0.0420(11) Uani 1 1 d . . . . .
H026 H 0.316968 0.024911 0.752216 0.050 Uiso 1 1 calc R U . . .
C027 C 0.2692(5) 0.1230(4) 0.9484(3) 0.0510(13) Uani 1 1 d . . . . .
H027 H 0.207249 0.107850 0.954717 0.061 Uiso 1 1 calc R U . . .
C028 C 0.1769(4) 0.7141(3) 0.9361(3) 0.0420(11) Uani 1 1 d . . . . .
H028 H 0.150143 0.742013 0.973053 0.050 Uiso 1 1 calc R U . . .
C029 C 0.2860(4) 0.7262(3) 0.8616(3) 0.0433(11) Uani 1 1 d . . . . .
H029 H 0.334210 0.761952 0.846816 0.052 Uiso 1 1 calc R U . . .
C02A C -0.1559(4) 0.1742(4) 0.7825(3) 0.0496(13) Uani 1 1 d . . . . .
H02A H -0.186279 0.144266 0.815402 0.059 Uiso 1 1 calc R U . . .
C02B C 0.2508(4) 0.0197(4) 0.3885(3) 0.0441(11) Uani 1 1 d . . . . .
H02B H 0.255406 -0.005595 0.336779 0.053 Uiso 1 1 calc R U . . .
C02C C -0.0647(4) 0.1608(4) 0.7861(3) 0.0457(12) Uani 1 1 d . . . . .
H02C H -0.032323 0.120767 0.820706 0.055 Uiso 1 1 calc R U . . .
C02D C 0.0388(5) -0.0464(4) 0.6854(5) 0.073(2) Uani 1 1 d . . . . .
H02D H -0.032026 -0.065185 0.667800 0.088 Uiso 1 1 calc R U . . .
C02E C 0.4401(5) 0.1095(3) 0.9870(3) 0.0495(13) Uani 1 1 d . . . . .
H02E H 0.495413 0.085108 1.019499 0.059 Uiso 1 1 calc R U . . .
C02F C 0.1036(6) -0.0904(4) 0.7411(5) 0.076(2) Uani 1 1 d . . . . .
H02F H 0.077093 -0.138712 0.762675 0.091 Uiso 1 1 calc R U . . .
C02G C 0.2056(5) -0.0649(4) 0.7653(3) 0.0575(16) Uani 1 1 d . . . . .
H02G H 0.249379 -0.096153 0.803018 0.069 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag01 Ag02 2.8991(4) . ?
Ag01 P003 2.4405(9) . ?
Ag01 P004 2.4176(9) . ?
Ag01 O00D 2.483(2) . ?
Ag02 P005 2.4112(9) . ?
Ag02 P006 2.4085(9) . ?
Ag02 O00F 2.492(2) 2_666 ?
P003 C00W 1.808(4) . ?
P003 C011 1.826(4) . ?
P003 C01E 1.818(4) . ?
P004 C00K 1.814(4) . ?
P004 C01H 1.827(4) . ?
P004 C01S 1.836(4) . ?
P005 C00M 1.806(4) . ?
P005 C011 1.832(4) . ?
P005 C024 1.816(4) . ?
P006 C00S 1.817(4) . ?
P006 C00T 1.814(4) . ?
P006 C01S 1.828(4) . ?
Al07 O009 1.920(3) . ?
Al07 O00C 1.899(2) 2_666 ?
Al07 O00D 1.843(2) . ?
Al07 O00E 1.750(3) . ?
Al07 O00F 1.882(3) 2_666 ?
Al08 O009 1.932(2) . ?
Al08 O00A 1.869(3) . ?
Al08 O00A 1.880(3) 2_666 ?
Al08 O00B 1.824(3) . ?
Al08 O00C 1.964(2) . ?
Al08 O00G 1.831(3) . ?
O009 C00L 1.374(4) . ?
O00A C018 1.373(4) . ?
O00B C01C 1.292(5) . ?
O00C C00N 1.369(4) . ?
O00D C00V 1.361(5) . ?
O00E C00J 1.348(4) . ?
O00F C01A 1.363(4) . ?
O00G C01R 1.287(4) . ?
O00H C01C 1.222(4) . ?
O00I C01R 1.242(5) . ?
C00J C00P 1.394(5) . ?
C00J C018 1.407(5) . ?
C00K C010 1.387(5) . ?
C00K C014 1.391(6) . ?
C00L C00V 1.405(5) . ?
C00L C017 1.382(6) . ?
C00M C00X 1.407(6) . ?
C00M C015 1.392(5) . ?
C00N C00O 1.380(5) . ?
C00N C01A 1.405(5) . ?
C00O C01C 1.507(5) . ?
C00O C01L 1.412(5) . ?
C00P H00P 0.9500 . ?
C00P C01F 1.402(5) . ?
C00Q H00Q 0.9500 . ?
C00Q C017 1.399(5) . ?
C00Q C01D 1.363(6) . ?
C00R H00R 0.9500 . ?
C00R C00T 1.391(6) . ?
C00R C020 1.400(6) . ?
C00S C00Y 1.404(5) . ?
C00S C01G 1.393(6) . ?
C00T C01J 1.390(6) . ?
C00U H00U 0.9500 . ?
C00U C01A 1.371(5) . ?
C00U C01B 1.396(5) . ?
C00V C01M 1.385(5) . ?
C00W C012 1.402(6) . ?
C00W C013 1.397(5) . ?
C00X H00X 0.9500 . ?
C00X C023 1.389(6) . ?
C00Y H00Y 0.9500 . ?
C00Y C019 1.393(6) . ?
C00Z H00Z 0.9500 . ?
C00Z C013 1.375(6) . ?
C00Z C01P 1.372(6) . ?
C010 H010 0.9500 . ?
C010 C01Q 1.388(6) . ?
C011 H01A 0.9900 . ?
C011 H01B 0.9900 . ?
C012 H012 0.9500 . ?
C012 C01I 1.376(7) . ?
C013 H013 0.9500 . ?
C014 H014 0.9500 . ?
C014 C01T 1.403(5) . ?
C015 H015 0.9500 . ?
C015 C01Z 1.387(5) . ?
C016 H016 0.9500 . ?
C016 C018 1.379(5) . ?
C016 C01K 1.395(6) . ?
C017 C01R 1.492(5) . ?
C019 H019 0.9500 . ?
C019 C01N 1.381(6) . ?
C01B H01C 0.9500 . ?
C01B C01L 1.380(5) . ?
C01D H01D 0.9500 . ?
C01D C01M 1.400(7) . ?
C01E C01W 1.390(6) . ?
C01E C01Y 1.398(6) . ?
C01F H01F 0.9500 . ?
C01F C01K 1.381(6) . ?
C01G H01G 0.9500 . ?
C01G C01O 1.381(6) . ?
C01H C01V 1.395(5) . ?
C01H C021 1.377(6) . ?
C01I H01I 0.9500 . ?
C01I C01P 1.385(6) . ?
C01J H01J 0.9500 . ?
C01J C02C 1.397(6) . ?
C01K H01K 0.9500 . ?
C01L H01L 0.9500 . ?
C01M H01M 0.9500 . ?
C01N H01N 0.9500 . ?
C01N C01O 1.387(6) . ?
C01O H01O 0.9500 . ?
C01P H01P 0.9500 . ?
C01Q H01Q 0.9500 . ?
C01Q C01U 1.377(6) . ?
C01S H01H 0.9900 . ?
C01S H01E 0.9900 . ?
C01T H01T 0.9500 . ?
C01T C01U 1.381(6) . ?
C01U H01U 0.9500 . ?
C01V H01V 0.9500 . ?
C01V C028 1.391(7) . ?
C01W H01W 0.9500 . ?
C01W C02E 1.407(6) . ?
C01X H01X 0.9500 . ?
C01X C028 1.373(7) . ?
C01X C029 1.383(6) . ?
C01Y H01Y 0.9500 . ?
C01Y C027 1.394(6) . ?
C01Z H01Z 0.9500 . ?
C01Z C02B 1.389(7) . ?
C020 H020 0.9500 . ?
C020 C02A 1.379(8) . ?
C021 H021 0.9500 . ?
C021 C029 1.389(7) . ?
C022 H022 0.9500 . ?
C022 C024 1.386(7) . ?
C022 C02D 1.385(8) . ?
C023 H023 0.9500 . ?
C023 C02B 1.375(7) . ?
C024 C026 1.399(6) . ?
C025 H025 0.9500 . ?
C025 C027 1.368(8) . ?
C025 C02E 1.374(8) . ?
C026 H026 0.9500 . ?
C026 C02G 1.400(7) . ?
C027 H027 0.9500 . ?
C028 H028 0.9500 . ?
C029 H029 0.9500 . ?
C02A H02A 0.9500 . ?
C02A C02C 1.362(8) . ?
C02B H02B 0.9500 . ?
C02C H02C 0.9500 . ?
C02D H02D 0.9500 . ?
C02D C02F 1.383(10) . ?
C02E H02E 0.9500 . ?
C02F H02F 0.9500 . ?
C02F C02G 1.369(10) . ?
C02G H02G 0.9500 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P003 Ag01 Ag02 87.51(3) . . ?
P003 Ag01 O00D 89.01(6) . . ?
P004 Ag01 Ag02 94.30(3) . . ?
P004 Ag01 P003 149.37(3) . . ?
P004 Ag01 O00D 121.49(6) . . ?
O00D Ag01 Ag02 90.67(6) . . ?
P005 Ag02 Ag01 96.85(3) . . ?
P005 Ag02 O00F 98.02(6) . 2_666 ?
P006 Ag02 Ag01 89.02(3) . . ?
P006 Ag02 P005 148.61(3) . . ?
P006 Ag02 O00F 113.36(6) . 2_666 ?
O00F Ag02 Ag01 80.85(6) 2_666 . ?
C00W P003 Ag01 106.74(13) . . ?
C00W P003 C011 104.92(17) . . ?
C00W P003 C01E 105.34(18) . . ?
C011 P003 Ag01 114.88(13) . . ?
C01E P003 Ag01 118.12(12) . . ?
C01E P003 C011 105.68(17) . . ?
C00K P004 Ag01 112.30(12) . . ?
C00K P004 C01H 105.23(17) . . ?
C00K P004 C01S 107.03(19) . . ?
C01H P004 Ag01 117.18(13) . . ?
C01H P004 C01S 103.58(18) . . ?
C01S P004 Ag01 110.71(12) . . ?
C00M P005 Ag02 115.24(13) . . ?
C00M P005 C011 103.35(17) . . ?
C00M P005 C024 105.39(18) . . ?
C011 P005 Ag02 107.59(13) . . ?
C024 P005 Ag02 116.22(13) . . ?
C024 P005 C011 108.13(19) . . ?
C00S P006 Ag02 112.57(11) . . ?
C00S P006 C00T 104.60(18) . . ?
C00S P006 C01S 105.84(19) . . ?
C00T P006 Ag02 113.73(14) . . ?
C00T P006 C01S 103.20(18) . . ?
C01S P006 Ag02 115.80(14) . . ?
O00C Al07 O009 89.49(11) 2_666 . ?
O00D Al07 O009 83.92(11) . . ?
O00D Al07 O00C 143.40(12) . 2_666 ?
O00D Al07 O00F 86.53(11) . 2_666 ?
O00E Al07 O009 105.85(13) . . ?
O00E Al07 O00C 109.02(11) . 2_666 ?
O00E Al07 O00D 107.41(12) . . ?
O00E Al07 O00F 99.67(13) . 2_666 ?
O00F Al07 O009 154.38(12) 2_666 . ?
O00F Al07 O00C 84.14(11) 2_666 2_666 ?
O009 Al08 O00C 173.14(12) . . ?
O00A Al08 O009 84.72(11) . . ?
O00A Al08 O009 89.42(11) 2_666 . ?
O00A Al08 O00A 77.75(12) . 2_666 ?
O00A Al08 O00C 84.74(10) 2_666 . ?
O00A Al08 O00C 90.52(11) . . ?
O00B Al08 O009 94.28(11) . . ?
O00B Al08 O00A 94.63(12) . . ?
O00B Al08 O00A 171.21(13) . 2_666 ?
O00B Al08 O00C 91.02(11) . . ?
O00B Al08 O00G 95.09(13) . . ?
O00G Al08 O009 92.46(11) . . ?
O00G Al08 O00A 170.06(13) . . ?
O00G Al08 O00A 92.71(12) . 2_666 ?
O00G Al08 O00C 91.40(11) . . ?
Al07 O009 Al08 124.99(13) . . ?
C00L O009 Al07 113.3(2) . . ?
C00L O009 Al08 119.3(2) . . ?
Al08 O00A Al08 102.25(12) . 2_666 ?
C018 O00A Al08 127.5(2) . 2_666 ?
C018 O00A Al08 129.8(2) . . ?
C01C O00B Al08 129.5(2) . . ?
Al07 O00C Al08 124.18(13) 2_666 . ?
C00N O00C Al07 113.1(2) . 2_666 ?
C00N O00C Al08 115.99(19) . . ?
Al07 O00D Ag01 131.90(14) . . ?
C00V O00D Ag01 113.22(18) . . ?
C00V O00D Al07 114.7(2) . . ?
C00J O00E Al07 136.3(2) . . ?
Al07 O00F Ag02 136.74(12) 2_666 2_666 ?
C01A O00F Ag02 108.4(2) . 2_666 ?
C01A O00F Al07 113.8(2) . 2_666 ?
C01R O00G Al08 131.1(2) . . ?
O00E C00J C00P 120.4(3) . . ?
O00E C00J C018 120.8(3) . . ?
C018 C00J C00P 118.8(3) . . ?
C010 C00K P004 122.6(3) . . ?
C010 C00K C014 119.7(3) . . ?
C014 C00K P004 117.6(3) . . ?
O009 C00L C00V 112.4(4) . . ?
O009 C00L C017 125.9(3) . . ?
C017 C00L C00V 121.7(3) . . ?
C00X C00M P005 122.6(3) . . ?
C015 C00M P005 118.5(3) . . ?
C015 C00M C00X 118.9(3) . . ?
O00C C00N C00O 124.3(3) . . ?
O00C C00N C01A 114.4(3) . . ?
C00O C00N C01A 121.3(3) . . ?
C00N C00O C01C 123.8(3) . . ?
C00N C00O C01L 117.6(3) . . ?
C01L C00O C01C 118.5(3) . . ?
C00J C00P H00P 119.7 . . ?
C00J C00P C01F 120.5(3) . . ?
C01F C00P H00P 119.7 . . ?
C017 C00Q H00Q 119.3 . . ?
C01D C00Q H00Q 119.3 . . ?
C01D C00Q C017 121.5(4) . . ?
C00T C00R H00R 120.4 . . ?
C00T C00R C020 119.2(4) . . ?
C020 C00R H00R 120.4 . . ?
C00Y C00S P006 123.7(3) . . ?
C01G C00S P006 116.4(3) . . ?
C01G C00S C00Y 119.8(4) . . ?
C00R C00T P006 121.2(3) . . ?
C01J C00T P006 119.0(3) . . ?
C01J C00T C00R 119.7(4) . . ?
C01A C00U H00U 120.1 . . ?
C01A C00U C01B 119.7(3) . . ?
C01B C00U H00U 120.1 . . ?
O00D C00V C00L 115.5(3) . . ?
O00D C00V C01M 124.8(3) . . ?
C01M C00V C00L 119.7(4) . . ?
C012 C00W P003 117.3(3) . . ?
C013 C00W P003 123.8(3) . . ?
C013 C00W C012 118.2(4) . . ?
C00M C00X H00X 120.3 . . ?
C023 C00X C00M 119.5(4) . . ?
C023 C00X H00X 120.3 . . ?
C00S C00Y H00Y 120.6 . . ?
C019 C00Y C00S 118.7(4) . . ?
C019 C00Y H00Y 120.6 . . ?
C013 C00Z H00Z 119.6 . . ?
C01P C00Z H00Z 119.6 . . ?
C01P C00Z C013 120.8(4) . . ?
C00K C010 H010 120.2 . . ?
C01Q C010 C00K 119.6(4) . . ?
C01Q C010 H010 120.2 . . ?
P003 C011 P005 114.73(19) . . ?
P003 C011 H01A 108.6 . . ?
P003 C011 H01B 108.6 . . ?
P005 C011 H01A 108.6 . . ?
P005 C011 H01B 108.6 . . ?
H01A C011 H01B 107.6 . . ?
C00W C012 H012 119.7 . . ?
C01I C012 C00W 120.7(3) . . ?
C01I C012 H012 119.7 . . ?
C00W C013 H013 119.8 . . ?
C00Z C013 C00W 120.4(4) . . ?
C00Z C013 H013 119.8 . . ?
C00K C014 H014 119.9 . . ?
C01T C014 C00K 120.2(4) . . ?
C01T C014 H014 119.9 . . ?
C00M C015 H015 119.5 . . ?
C01Z C015 C00M 121.1(4) . . ?
C01Z C015 H015 119.5 . . ?
C018 C016 H016 119.9 . . ?
C018 C016 C01K 120.2(3) . . ?
C01K C016 H016 119.9 . . ?
C00L C017 C00Q 117.4(3) . . ?
C00L C017 C01R 123.2(3) . . ?
C00Q C017 C01R 119.4(4) . . ?
O00A C018 C00J 117.7(3) . . ?
O00A C018 C016 121.7(3) . . ?
C00J C018 C016 120.5(3) . . ?
C00Y C019 H019 119.4 . . ?
C01N C019 C00Y 121.1(4) . . ?
C01N C019 H019 119.4 . . ?
O00F C01A C00N 114.4(3) . . ?
O00F C01A C00U 125.6(3) . . ?
C00U C01A C00N 120.0(3) . . ?
C00U C01B H01C 120.0 . . ?
C01L C01B C00U 120.1(4) . . ?
C01L C01B H01C 120.0 . . ?
O00B C01C C00O 116.9(3) . . ?
O00H C01C O00B 123.4(4) . . ?
O00H C01C C00O 119.6(4) . . ?
C00Q C01D H01D 119.4 . . ?
C00Q C01D C01M 121.2(3) . . ?
C01M C01D H01D 119.4 . . ?
C01W C01E P003 121.3(3) . . ?
C01W C01E C01Y 119.5(4) . . ?
C01Y C01E P003 119.1(3) . . ?
C00P C01F H01F 120.1 . . ?
C01K C01F C00P 119.8(4) . . ?
C01K C01F H01F 120.1 . . ?
C00S C01G H01G 119.8 . . ?
C01O C01G C00S 120.3(4) . . ?
C01O C01G H01G 119.8 . . ?
C01V C01H P004 123.4(3) . . ?
C021 C01H P004 117.8(3) . . ?
C021 C01H C01V 118.7(4) . . ?
C012 C01I H01I 120.0 . . ?
C012 C01I C01P 120.0(4) . . ?
C01P C01I H01I 120.0 . . ?
C00T C01J H01J 120.0 . . ?
C00T C01J C02C 120.0(4) . . ?
C02C C01J H01J 120.0 . . ?
C016 C01K H01K 119.9 . . ?
C01F C01K C016 120.2(3) . . ?
C01F C01K H01K 119.9 . . ?
C00O C01L H01L 119.4 . . ?
C01B C01L C00O 121.1(3) . . ?
C01B C01L H01L 119.4 . . ?
C00V C01M C01D 118.4(4) . . ?
C00V C01M H01M 120.8 . . ?
C01D C01M H01M 120.8 . . ?
C019 C01N H01N 120.2 . . ?
C019 C01N C01O 119.7(4) . . ?
C01O C01N H01N 120.2 . . ?
C01G C01O H01O 119.9 . . ?
C01N C01O C01G 120.2(4) . . ?
C01N C01O H01O 119.9 . . ?
C00Z C01P C01I 119.9(4) . . ?
C00Z C01P H01P 120.1 . . ?
C01I C01P H01P 120.1 . . ?
C010 C01Q H01Q 119.5 . . ?
C01U C01Q C010 121.0(4) . . ?
C01U C01Q H01Q 119.5 . . ?
O00G C01R C017 118.5(4) . . ?
O00I C01R O00G 121.3(3) . . ?
O00I C01R C017 120.2(3) . . ?
P004 C01S H01H 109.2 . . ?
P004 C01S H01E 109.2 . . ?
P006 C01S P004 112.1(2) . . ?
P006 C01S H01H 109.2 . . ?
P006 C01S H01E 109.2 . . ?
H01H C01S H01E 107.9 . . ?
C014 C01T H01T 120.3 . . ?
C01U C01T C014 119.5(4) . . ?
C01U C01T H01T 120.3 . . ?
C01Q C01U C01T 120.1(4) . . ?
C01Q C01U H01U 120.0 . . ?
C01T C01U H01U 120.0 . . ?
C01H C01V H01V 120.1 . . ?
C028 C01V C01H 119.8(4) . . ?
C028 C01V H01V 120.1 . . ?
C01E C01W H01W 120.1 . . ?
C01E C01W C02E 119.9(5) . . ?
C02E C01W H01W 120.1 . . ?
C028 C01X H01X 120.1 . . ?
C028 C01X C029 119.7(4) . . ?
C029 C01X H01X 120.1 . . ?
C01E C01Y H01Y 120.1 . . ?
C027 C01Y C01E 119.7(5) . . ?
C027 C01Y H01Y 120.1 . . ?
C015 C01Z H01Z 120.4 . . ?
C015 C01Z C02B 119.2(4) . . ?
C02B C01Z H01Z 120.4 . . ?
C00R C020 H020 119.8 . . ?
C02A C020 C00R 120.5(4) . . ?
C02A C020 H020 119.8 . . ?
C01H C021 H021 119.3 . . ?
C01H C021 C029 121.5(4) . . ?
C029 C021 H021 119.3 . . ?
C024 C022 H022 119.8 . . ?
C024 C022 C02D 120.4(6) . . ?
C02D C022 H022 119.8 . . ?
C00X C023 H023 119.6 . . ?
C02B C023 C00X 120.7(4) . . ?
C02B C023 H023 119.6 . . ?
C022 C024 P005 118.1(4) . . ?
C022 C024 C026 119.8(4) . . ?
C026 C024 P005 122.1(4) . . ?
C027 C025 H025 119.5 . . ?
C027 C025 C02E 120.9(4) . . ?
C02E C025 H025 119.5 . . ?
C024 C026 H026 120.5 . . ?
C02G C026 C024 119.0(5) . . ?
C02G C026 H026 120.5 . . ?
C01Y C027 H027 119.8 . . ?
C025 C027 C01Y 120.4(5) . . ?
C025 C027 H027 119.8 . . ?
C01V C028 H028 119.6 . . ?
C01X C028 C01V 120.8(4) . . ?
C01X C028 H028 119.6 . . ?
C01X C029 C021 119.4(4) . . ?
C01X C029 H029 120.3 . . ?
C021 C029 H029 120.3 . . ?
C020 C02A H02A 119.8 . . ?
C02C C02A C020 120.4(4) . . ?
C02C C02A H02A 119.8 . . ?
C01Z C02B H02B 119.8 . . ?
C023 C02B C01Z 120.5(4) . . ?
C023 C02B H02B 119.8 . . ?
C01J C02C H02C 119.9 . . ?
C02A C02C C01J 120.3(5) . . ?
C02A C02C H02C 119.9 . . ?
C022 C02D H02D 120.1 . . ?
C02F C02D C022 119.9(6) . . ?
C02F C02D H02D 120.1 . . ?
C01W C02E H02E 120.2 . . ?
C025 C02E C01W 119.6(5) . . ?
C025 C02E H02E 120.2 . . ?
C02D C02F H02F 119.8 . . ?
C02G C02F C02D 120.4(5) . . ?
C02G C02F H02F 119.8 . . ?
C026 C02G H02G 119.7 . . ?
C02F C02G C026 120.6(6) . . ?
C02F C02G H02G 119.7 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Ag01 P003 C00W C012 65.2(3) . . . . ?
Ag01 P003 C00W C013 -105.4(3) . . . . ?
Ag01 P003 C011 P005 -48.5(2) . . . . ?
Ag01 P003 C01E C01W -149.9(3) . . . . ?
Ag01 P003 C01E C01Y 33.0(4) . . . . ?
Ag01 P004 C00K C010 -159.1(3) . . . . ?
Ag01 P004 C00K C014 24.0(4) . . . . ?
Ag01 P004 C01H C01V -147.0(3) . . . . ?
Ag01 P004 C01H C021 29.6(4) . . . . ?
Ag01 P004 C01S P006 44.9(2) . . . . ?
Ag01 O00D C00V C00L 178.5(2) . . . . ?
Ag01 O00D C00V C01M -3.3(4) . . . . ?
Ag02 P005 C00M C00X -142.5(3) . . . . ?
Ag02 P005 C00M C015 38.7(4) . . . . ?
Ag02 P005 C011 P003 45.5(2) . . . . ?
Ag02 P005 C024 C022 36.9(4) . . . . ?
Ag02 P005 C024 C026 -142.9(3) . . . . ?
Ag02 P006 C00S C00Y -117.4(3) . . . . ?
Ag02 P006 C00S C01G 58.6(3) . . . . ?
Ag02 P006 C00T C00R -164.3(3) . . . . ?
Ag02 P006 C00T C01J 20.0(4) . . . . ?
Ag02 P006 C01S P004 -47.2(2) . . . . ?
Ag02 O00F C01A C00N 175.3(2) 2_666 . . . ?
Ag02 O00F C01A C00U -6.0(4) 2_666 . . . ?
P003 C00W C012 C01I -172.0(3) . . . . ?
P003 C00W C013 C00Z 170.3(3) . . . . ?
P003 C01E C01W C02E -177.5(3) . . . . ?
P003 C01E C01Y C027 177.7(3) . . . . ?
P004 C00K C010 C01Q -175.8(3) . . . . ?
P004 C00K C014 C01T 175.9(3) . . . . ?
P004 C01H C01V C028 176.2(3) . . . . ?
P004 C01H C021 C029 -176.7(3) . . . . ?
P005 C00M C00X C023 -178.2(4) . . . . ?
P005 C00M C015 C01Z 177.2(3) . . . . ?
P005 C024 C026 C02G -179.9(3) . . . . ?
P006 C00S C00Y C019 178.8(3) . . . . ?
P006 C00S C01G C01O -179.9(3) . . . . ?
P006 C00T C01J C02C 174.2(4) . . . . ?
Al07 O009 C00L C00V 3.4(4) . . . . ?
Al07 O009 C00L C017 -174.3(3) . . . . ?
Al07 O00C C00N C00O -178.2(3) 2_666 . . . ?
Al07 O00C C00N C01A 0.8(4) 2_666 . . . ?
Al07 O00D C00V C00L 3.0(4) . . . . ?
Al07 O00D C00V C01M -178.8(3) . . . . ?
Al07 O00E C00J C00P -171.4(3) . . . . ?
Al07 O00E C00J C018 7.6(6) . . . . ?
Al07 O00F C01A C00N 5.1(4) 2_666 . . . ?
Al07 O00F C01A C00U -176.3(3) 2_666 . . . ?
Al08 O009 C00L C00V -159.9(2) . . . . ?
Al08 O009 C00L C017 22.4(5) . . . . ?
Al08 O00A C018 C00J -96.1(3) 2_666 . . . ?
Al08 O00A C018 C00J 93.7(4) . . . . ?
Al08 O00A C018 C016 -88.9(4) . . . . ?
Al08 O00A C018 C016 81.3(4) 2_666 . . . ?
Al08 O00B C01C O00H 168.7(3) . . . . ?
Al08 O00B C01C C00O -13.9(5) . . . . ?
Al08 O00C C00N C00O 29.3(4) . . . . ?
Al08 O00C C00N C01A -151.7(2) . . . . ?
Al08 O00G C01R O00I 166.2(3) . . . . ?
Al08 O00G C01R C017 -15.0(6) . . . . ?
O009 Al07 O00D Ag01 -175.30(17) . . . . ?
O009 Al07 O00D C00V -0.8(2) . . . . ?
O009 Al07 O00E C00J -54.2(4) . . . . ?
O009 Al08 O00A Al08 90.55(12) . . . 2_666 ?
O009 Al08 O00A C018 -97.4(3) . . . . ?
O009 Al08 O00B C01C -146.1(3) . . . . ?
O009 Al08 O00G C01R 30.2(3) . . . . ?
O009 C00L C00V O00D -4.2(4) . . . . ?
O009 C00L C00V C01M 177.6(3) . . . . ?
O009 C00L C017 C00Q -179.3(4) . . . . ?
O009 C00L C017 C01R 1.4(6) . . . . ?
O00A Al08 O00A Al08 0.001(0) 2_666 . . 2_666 ?
O00A Al08 O00A C018 172.1(3) 2_666 . . . ?
O00A Al08 O00B C01C 128.8(3) . . . . ?
O00A Al08 O00G C01R 119.7(3) 2_666 . . . ?
O00B Al08 O00A Al08 -175.57(12) . . . 2_666 ?
O00B Al08 O00A C018 -3.5(3) . . . . ?
O00B Al08 O00G C01R -64.3(4) . . . . ?
O00C Al07 O00D Ag01 103.8(2) 2_666 . . . ?
O00C Al07 O00D C00V -81.7(3) 2_666 . . . ?
O00C Al07 O00E C00J 40.8(4) 2_666 . . . ?
O00C Al08 O00A Al08 -84.50(11) . . . 2_666 ?
O00C Al08 O00A C018 87.6(3) . . . . ?
O00C Al08 O00B C01C 38.2(3) . . . . ?
O00C Al08 O00G C01R -155.5(3) . . . . ?
O00C C00N C00O C01C 6.4(5) . . . . ?
O00C C00N C00O C01L -177.4(3) . . . . ?
O00C C00N C01A O00F -3.8(4) . . . . ?
O00C C00N C01A C00U 177.4(3) . . . . ?
O00D Al07 O00E C00J -142.7(3) . . . . ?
O00D C00V C01M C01D -175.0(4) . . . . ?
O00E Al07 O00D Ag01 -70.56(19) . . . . ?
O00E Al07 O00D C00V 103.9(3) . . . . ?
O00E C00J C00P C01F 178.6(4) . . . . ?
O00E C00J C018 O00A -1.6(5) . . . . ?
O00E C00J C018 C016 -179.0(3) . . . . ?
O00F Al07 O00D Ag01 28.50(18) 2_666 . . . ?
O00F Al07 O00D C00V -157.0(2) 2_666 . . . ?
O00F Al07 O00E C00J 127.9(4) 2_666 . . . ?
O00G Al08 O00B C01C -53.3(3) . . . . ?
C00J C00P C01F C01K 0.3(7) . . . . ?
C00K P004 C01H C01V -21.4(4) . . . . ?
C00K P004 C01H C021 155.2(3) . . . . ?
C00K P004 C01S P006 -77.8(2) . . . . ?
C00K C010 C01Q C01U 0.3(7) . . . . ?
C00K C014 C01T C01U -0.1(7) . . . . ?
C00L C00V C01M C01D 3.1(6) . . . . ?
C00L C017 C01R O00G -7.3(6) . . . . ?
C00L C017 C01R O00I 171.5(4) . . . . ?
C00M P005 C011 P003 167.9(2) . . . . ?
C00M P005 C024 C022 -92.0(4) . . . . ?
C00M P005 C024 C026 88.2(4) . . . . ?
C00M C00X C023 C02B -0.5(8) . . . . ?
C00M C015 C01Z C02B 2.5(7) . . . . ?
C00N C00O C01C O00B -17.4(5) . . . . ?
C00N C00O C01C O00H 160.1(4) . . . . ?
C00N C00O C01L C01B -2.1(5) . . . . ?
C00O C00N C01A O00F 175.2(3) . . . . ?
C00O C00N C01A C00U -3.6(5) . . . . ?
C00P C00J C018 O00A 177.4(3) . . . . ?
C00P C00J C018 C016 0.0(6) . . . . ?
C00P C01F C01K C016 0.2(7) . . . . ?
C00Q C017 C01R O00G 173.5(4) . . . . ?
C00Q C017 C01R O00I -7.7(6) . . . . ?
C00Q C01D C01M C00V -0.4(6) . . . . ?
C00R C00T C01J C02C -1.5(7) . . . . ?
C00R C020 C02A C02C -2.0(7) . . . . ?
C00S P006 C00T C00R -41.1(4) . . . . ?
C00S P006 C00T C01J 143.2(3) . . . . ?
C00S P006 C01S P004 -172.67(18) . . . . ?
C00S C00Y C019 C01N 0.2(5) . . . . ?
C00S C01G C01O C01N 1.4(6) . . . . ?
C00T P006 C00S C00Y 118.6(3) . . . . ?
C00T P006 C00S C01G -65.4(3) . . . . ?
C00T P006 C01S P004 77.7(2) . . . . ?
C00T C00R C020 C02A 1.2(7) . . . . ?
C00T C01J C02C C02A 0.7(7) . . . . ?
C00U C01B C01L C00O 0.3(6) . . . . ?
C00V C00L C017 C00Q 3.2(6) . . . . ?
C00V C00L C017 C01R -176.1(4) . . . . ?
C00W P003 C011 P005 -165.3(2) . . . . ?
C00W P003 C01E C01W -30.8(4) . . . . ?
C00W P003 C01E C01Y 152.0(3) . . . . ?
C00W C012 C01I C01P 1.4(7) . . . . ?
C00X C00M C015 C01Z -1.6(6) . . . . ?
C00X C023 C02B C01Z 1.4(8) . . . . ?
C00Y C00S C01G C01O -3.7(5) . . . . ?
C00Y C019 C01N C01O -2.6(6) . . . . ?
C010 C00K C014 C01T -1.0(6) . . . . ?
C010 C01Q C01U C01T -1.5(7) . . . . ?
C011 P003 C00W C012 -172.5(3) . . . . ?
C011 P003 C00W C013 16.9(4) . . . . ?
C011 P003 C01E C01W 79.9(4) . . . . ?
C011 P003 C01E C01Y -97.2(3) . . . . ?
C011 P005 C00M C00X 100.4(4) . . . . ?
C011 P005 C00M C015 -78.4(4) . . . . ?
C011 P005 C024 C022 158.0(3) . . . . ?
C011 P005 C024 C026 -21.8(4) . . . . ?
C012 C00W C013 C00Z -0.2(6) . . . . ?
C012 C01I C01P C00Z -0.8(7) . . . . ?
C013 C00W C012 C01I -0.8(6) . . . . ?
C013 C00Z C01P C01I -0.2(7) . . . . ?
C014 C00K C010 C01Q 0.9(6) . . . . ?
C014 C01T C01U C01Q 1.4(7) . . . . ?
C015 C00M C00X C023 0.6(7) . . . . ?
C015 C01Z C02B C023 -2.4(7) . . . . ?
C017 C00L C00V O00D 173.7(3) . . . . ?
C017 C00L C00V C01M -4.6(6) . . . . ?
C017 C00Q C01D C01M -1.0(7) . . . . ?
C018 C00J C00P C01F -0.4(6) . . . . ?
C018 C016 C01K C01F -0.6(7) . . . . ?
C019 C01N C01O C01G 1.7(6) . . . . ?
C01A C00N C00O C01C -172.6(3) . . . . ?
C01A C00N C00O C01L 3.7(5) . . . . ?
C01A C00U C01B C01L -0.1(5) . . . . ?
C01B C00U C01A O00F -177.0(3) . . . . ?
C01B C00U C01A C00N 1.7(5) . . . . ?
C01C C00O C01L C01B 174.4(3) . . . . ?
C01D C00Q C017 C00L -0.4(6) . . . . ?
C01D C00Q C017 C01R 178.9(4) . . . . ?
C01E P003 C00W C012 -61.2(3) . . . . ?
C01E P003 C00W C013 128.2(3) . . . . ?
C01E P003 C011 P005 83.6(2) . . . . ?
C01E C01W C02E C025 0.0(7) . . . . ?
C01E C01Y C027 C025 -0.2(7) . . . . ?
C01G C00S C00Y C019 2.9(5) . . . . ?
C01H P004 C00K C010 72.3(4) . . . . ?
C01H P004 C00K C014 -104.5(3) . . . . ?
C01H P004 C01S P006 171.30(19) . . . . ?
C01H C01V C028 C01X -0.6(7) . . . . ?
C01H C021 C029 C01X 1.1(7) . . . . ?
C01K C016 C018 O00A -176.8(4) . . . . ?
C01K C016 C018 C00J 0.5(6) . . . . ?
C01L C00O C01C O00B 166.4(3) . . . . ?
C01L C00O C01C O00H -16.1(5) . . . . ?
C01P C00Z C013 C00W 0.8(6) . . . . ?
C01S P004 C00K C010 -37.4(4) . . . . ?
C01S P004 C00K C014 145.7(3) . . . . ?
C01S P004 C01H C01V 90.8(4) . . . . ?
C01S P004 C01H C021 -92.6(3) . . . . ?
C01S P006 C00S C00Y 10.0(4) . . . . ?
C01S P006 C00S C01G -174.0(3) . . . . ?
C01S P006 C00T C00R 69.5(4) . . . . ?
C01S P006 C00T C01J -106.2(3) . . . . ?
C01V C01H C021 C029 0.1(6) . . . . ?
C01W C01E C01Y C027 0.4(6) . . . . ?
C01Y C01E C01W C02E -0.4(6) . . . . ?
C020 C00R C00T P006 -175.1(3) . . . . ?
C020 C00R C00T C01J 0.6(6) . . . . ?
C020 C02A C02C C01J 1.0(7) . . . . ?
C021 C01H C01V C028 -0.3(6) . . . . ?
C022 C024 C026 C02G 0.4(6) . . . . ?
C022 C02D C02F C02G -1.3(9) . . . . ?
C024 P005 C00M C00X -13.0(4) . . . . ?
C024 P005 C00M C015 168.2(3) . . . . ?
C024 P005 C011 P003 -80.8(2) . . . . ?
C024 C022 C02D C02F 1.3(9) . . . . ?
C024 C026 C02G C02F -0.4(7) . . . . ?
C027 C025 C02E C01W 0.3(8) . . . . ?
C028 C01X C029 C021 -1.9(7) . . . . ?
C029 C01X C028 C01V 1.7(7) . . . . ?
C02D C022 C024 P005 179.4(4) . . . . ?
C02D C022 C024 C026 -0.8(7) . . . . ?
C02D C02F C02G C026 0.9(8) . . . . ?
C02E C025 C027 C01Y -0.2(8) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.000 0.000 0.000 587.2 162.0 ?

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 6.276
_oxdiff_exptl_absorpt_empirical_full_min 0.370
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_AlOC-170(s)
_database_code_depnum_ccdc_archive 'CCDC 2303394'
loop_
_audit_author_name
_audit_author_address
'Fan Yang'
;UCAS
China
;
_audit_update_record             
;
2023-12-08 deposited with the CCDC.	2024-07-17 downloaded from the CCDC.
;
_audit_creation_date             2023-11-03
_audit_creation_method           
;
Olex2 1.5-beta
(compiled 2023.08.24 svn.re1ec1418 for OlexSys, GUI svn.r6817)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'2(C88 H64 Ag P4), C40 H20 Al4 O20, C41 H20 Al4 O19, 4(C2 H8 N), C2 H7 N'
_chemical_formula_sum            'C267 H207 Ag2 Al8 N5 O39 P8'
_chemical_formula_weight         4788.70
_chemical_absolute_configuration ?
_chemical_melting_point          ?
_chemical_oxdiff_formula         'Al Ag C H O N P'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0137 0.0067 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag 0.0782 3.3823 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Al Al 0.1771 0.1873 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0241 0.0134 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0389 0.0241 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2543 0.3332 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_H-M_alt        'P 1 21 1'
_space_group_name_Hall           'P 2yb'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z'

_cell_length_a                   22.7861(5)
_cell_length_b                   23.1721(4)
_cell_length_c                   23.0114(4)
_cell_angle_alpha                90
_cell_angle_beta                 93.565(2)
_cell_angle_gamma                90
_cell_volume                     12126.5(4)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    23590
_cell_measurement_temperature    293.00(10)
_cell_measurement_theta_max      60.1380
_cell_measurement_theta_min      2.3450
_shelx_estimated_absorpt_T_max   0.916
_shelx_estimated_absorpt_T_min   0.842
_exptl_absorpt_coefficient_mu    1.776
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  1.00000
_exptl_absorpt_correction_type   sphere
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.115a (Rigaku Oxford Diffraction, 2021)
Spherical absorption correction
using equivalent radius and absorption coefficient.
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear whiteish colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   whiteish
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.311
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             4948
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_exptl_crystal_size_rad          0.400
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0453
_diffrn_reflns_av_unetI/netI     0.0685
_diffrn_reflns_Laue_measured_fraction_full 0.883
_diffrn_reflns_Laue_measured_fraction_max 0.883
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            51636
_diffrn_reflns_point_group_measured_fraction_full 0.565
_diffrn_reflns_point_group_measured_fraction_max 0.565
_diffrn_reflns_theta_full        52.928
_diffrn_reflns_theta_max         52.928
_diffrn_reflns_theta_min         2.355
_diffrn_ambient_environment      air
_diffrn_ambient_temperature      293.00(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.883
_diffrn_measured_fraction_theta_max 0.883
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     -8.00  40.00   0.50    0.48    --   -0.78 -99.00-150.00   96
  2  ω    -74.00  23.00   0.50    0.48    --   -0.78 -57.00   0.00  194
  3  ω     77.00 151.00   0.50    1.93    --   77.42 128.00  17.00  148
  4  ω     71.00 152.00   0.50    1.93    --   77.42 137.00 101.00  162
  5  ω    111.00 149.00   0.50    1.93    --   77.42 125.00-120.00   76
  6  ω     20.00 111.00   0.50    1.93    --   77.42-125.00 -90.00  182
  7  ω     29.00 109.00   0.50    1.93    --   77.42-125.00  60.00  160
  8  ω   -161.00   1.00   0.50    1.93    --  -78.98  -4.00  55.00  324
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'ROD, Synergy Custom system, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0195326000
_diffrn_orient_matrix_UB_12      0.0027794000
_diffrn_orient_matrix_UB_13      0.0560457000
_diffrn_orient_matrix_UB_21      0.0554866000
_diffrn_orient_matrix_UB_22      -0.0022783000
_diffrn_orient_matrix_UB_23      -0.0156857000
_diffrn_orient_matrix_UB_31      0.0012430000
_diffrn_orient_matrix_UB_32      0.0577473000
_diffrn_orient_matrix_UB_33      -0.0033244000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           GaKa
_diffrn_radiation_wavelength     1.3405
_diffrn_source                   'micro-focus metaljet'
_reflns_Friedel_coverage         0.246
_reflns_Friedel_fraction_full    0.230
_reflns_Friedel_fraction_max     0.230
_reflns_number_gt                19590
_reflns_number_total             24232
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.41.115a (Rigaku OD, 2021)'
_computing_data_collection       'CrysAlisPro 1.171.41.115a (Rigaku OD, 2021)'
_computing_data_reduction        'CrysAlisPro 1.171.41.115a (Rigaku OD, 2021)'
_computing_molecular_graphics    'Olex2 1.5-beta (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5-beta (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.556
_refine_diff_density_min         -1.067
_refine_diff_density_rms         0.067
_refine_ls_abs_structure_details 
;
 Classical Flack method preferred over Parsons because s.u. lower.
;
_refine_ls_abs_structure_Flack   0.005(7)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2972
_refine_ls_number_reflns         24232
_refine_ls_number_restraints     7
_refine_ls_R_factor_all          0.0717
_refine_ls_R_factor_gt           0.0527
_refine_ls_restrained_S_all      1.043
_refine_ls_shift/su_max          0.043
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0997P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1397
_refine_ls_wR_factor_ref         0.1498
_refine_special_details          ?
_olex2_refinement_description    
;
1. Uiso/Uaniso restraints and constraints
Uanis(C098) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
2.a Riding coordinates:
 N039(H039)
2.b Secondary CH2 refined with riding coordinates:
 N02W(H02A,H02B), N04Z(H04A,H04C), N05B(H05A,H05B), N06L(H06E,H06J)
2.c Aromatic/amide H refined with riding coordinates:
 C023(H023), C026(H026), C027(H027), C02H(H02H), C02I(H02I), C02J(H02J),
 C02K(H02K), C02N(H02N), C02V(H02V), C02X(H02X), C030(H030), C032(H032),
 C033(H033), C034(H034), C036(H036), C037(H037), C038(H038), C03B(H03B),
 C03D(H03D), C03E(H03E), C03I(H03I), C03J(H03J), C03L(H03L), C03M(H03M),
 C03O(H03O), C03P(H03P), C03S(H03S), C03T(H03T), C03V(H03V), C03X(H03X),
 C03Y(H03Y), C03Z(H03Z), C040(H040), C041(H041), C042(H042), C043(H043),
 C044(H044), C045(H045), C046(H046), C047(H047), C049(H049), C04B(H04B),
 C04D(H04D), C04F(H04F), C04G(H04G), C04H(H04H), C04J(H04J), C04K(H04K),
 C04N(H04N), C04P(H04P), C04R(H04R), C04S(H04S), C04T(H04T), C04U(H04U),
 C051(H051), C052(H052), C054(H054), C055(H055), C056(H056), C058(H058),
 C05E(H05E), C05G(H05G), C05H(H05H), C05L(H05L), C05N(H05N), C05O(H05O),
 C05P(H05P), C05Q(H05Q), C05R(H05R), C05T(H05T), C05V(H05V), C05W(H05W),
 C05X(H05X), C05Y(H05Y), C05Z(H05Z), C060(H060), C061(H061), C062(H062),
 C063(H063), C064(H064), C065(H065), C066(H066), C067(H067), C068(H068),
 C069(H069), C06A(H06A), C06B(H06B), C06C(H06C), C06D(H06D), C06F(H06F),
 C06G(H06G), C06H(H06H), C06I(H06I), C06M(H06M), C06N(H06N), C06O(H06O),
 C06P(H06P), C06Q(H06Q), C06S(H06S), C06T(H06T), C06U(H06U), C06V(H06V),
 C06W(H06W), C06X(H06X), C06Y(H06Y), C06Z(H06Z), C071(H071), C073(H073),
 C074(H074), C075(H075), C076(H076), C078(H078), C079(H079), C07A(H07A),
 C07B(H07B), C07C(H07C), C07D(H07D), C07E(H07E), C07G(H07G), C07H(H07H),
 C07I(H07I), C07J(H07J), C07K(H07K), C07L(H07L), C07N(H07N), C07P(H07P),
 C07Q(H07Q), C07R(H07R), C07S(H07S), C07T(H07T), C07V(H07V), C07W(H07W),
 C07X(H07X), C07Y(H07Y), C080(H080), C081(H081), C082(H082), C083(H083),
 C084(H084), C085(H085), C087(H087), C088(H088), C089(H089), C08A(H08A),
 C08B(H08B), C08C(H08C), C08E(H08E), C08F(H08F), C08H(H08H), C08I(H08I),
 C08J(H08J), C08K(H08K), C08L(H08L), C08M(H08M), C08N(H08N), C08O(H08O),
 C08P(H08P), C08Q(H08Q), C08R(H08R), C08U(H08U), C08V(H08V), C08W(H08W),
 C08X(H08X), C08Y(H08Y), C090(H090), C092(H092), C094(H094), C095(H095)
2.d Idealised Me refined as rotating group:
 C086(H08D,H08G,H08S), C08G(H08,H,HA), C08S(H1,HB,HC), C08T(H08T,H08Z,HD),
 C08Z(H2,HE,HF), C091(H09A,H09B,H09C), C093(H09M,H09N,H09O), C096(H09D,H09E,
 H09F), C097(H09G,H09H,H09I), C098(H09J,H09K,H09L)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag01 Ag 0.53088(2) 0.73806(2) 0.62500(2) 0.03846(14) Uani 1 1 d . . . . .
Ag02 Ag 0.48465(2) 0.23379(2) 0.87778(2) 0.03888(13) Uani 1 1 d . . . . .
P003 P 0.40860(9) 0.31393(7) 0.90247(9) 0.0339(4) Uani 1 1 d . . . . .
P004 P 0.62322(8) 0.73774(8) 0.69362(8) 0.0354(4) Uani 1 1 d . . . . .
P005 P 0.55631(10) 0.63684(7) 0.59005(9) 0.0354(4) Uani 1 1 d . . . . .
P006 P 0.51959(10) 0.81851(7) 0.55027(9) 0.0364(4) Uani 1 1 d . . . . .
P007 P 0.43681(10) 0.22315(7) 0.77610(9) 0.0361(4) Uani 1 1 d . . . . .
P008 P 0.50102(10) 0.14268(7) 0.94337(9) 0.0361(4) Uani 1 1 d . . . . .
P009 P 0.42944(10) 0.76173(8) 0.66297(9) 0.0384(5) Uani 1 1 d . . . . .
P00A P 0.59375(10) 0.25488(8) 0.88996(10) 0.0386(5) Uani 1 1 d . . . . .
Al0B Al 0.00347(11) 0.62095(9) 0.95300(11) 0.0370(5) Uani 1 1 d . . . . .
Al0C Al -0.05883(11) 0.67486(8) 1.07391(10) 0.0347(5) Uani 1 1 d . . . . .
Al0D Al 0.01133(11) 0.54817(8) 1.05722(11) 0.0370(5) Uani 1 1 d . . . . .
Al0E Al 0.00597(12) 0.36386(10) 0.55959(11) 0.0420(6) Uani 1 1 d . . . . .
Al0F Al 0.06780(12) 0.48914(9) 0.93784(12) 0.0443(6) Uani 1 1 d . . . . .
Al0G Al -0.01217(14) 0.28833(10) 0.45806(12) 0.0495(7) Uani 1 1 d . . . . .
Al0H Al -0.08041(13) 0.24532(10) 0.57817(13) 0.0521(6) Uani 1 1 d . . . . .
Al0I Al 0.07535(17) 0.40486(12) 0.43813(13) 0.0629(8) Uani 1 1 d . . . . .
O00J O -0.0486(2) 0.59499(19) 1.0884(2) 0.0376(12) Uani 1 1 d . . . . .
O00K O 0.0400(2) 0.61808(19) 1.0292(2) 0.0367(12) Uani 1 1 d . . . . .
O00L O -0.0577(2) 0.6612(2) 0.9891(2) 0.0392(13) Uani 1 1 d . . . . .
O00M O 0.0646(2) 0.5719(2) 0.9260(3) 0.0420(13) Uani 1 1 d . . . . .
O00N O -0.1249(2) 0.7143(2) 1.0521(3) 0.0399(13) Uani 1 1 d . . . . .
O00O O -0.0610(3) 0.3262(2) 0.5894(3) 0.0452(14) Uani 1 1 d . . . . .
O00P O 0.0433(3) 0.6865(2) 0.9331(3) 0.0482(15) Uani 1 1 d . . . . .
O00Q O 0.0710(3) 0.3945(2) 0.5221(3) 0.0506(15) Uani 1 1 d . . . . .
O00R O -0.0275(3) 0.4822(2) 1.0787(3) 0.0454(14) Uani 1 1 d . . . . .
O00S O -0.0385(3) 0.6161(2) 0.8827(3) 0.0469(15) Uani 1 1 d . . . . .
O00T O -0.0215(3) 0.4362(2) 0.5770(2) 0.0443(14) Uani 1 1 d . . . . .
O00U O 0.0694(3) 0.5041(2) 1.0202(3) 0.0448(14) Uani 1 1 d . . . . .
O00V O 0.0487(3) 0.3572(2) 0.6292(3) 0.0496(15) Uani 1 1 d . . . . .
O00W O -0.0265(2) 0.55145(19) 0.9828(2) 0.0367(12) Uani 1 1 d . . . . .
O00X O 0.0589(3) 0.5506(2) 1.1256(3) 0.0487(15) Uani 1 1 d . . . . .
O00Y O 0.0036(3) 0.7182(2) 1.0812(3) 0.0457(14) Uani 1 1 d . . . . .
O00Z O -0.0005(3) 0.4660(2) 0.9075(3) 0.0482(15) Uani 1 1 d . . . . .
O010 O -0.0779(3) 0.2567(2) 0.4950(3) 0.0550(17) Uani 1 1 d . . . . .
O011 O 0.0245(3) 0.2892(2) 0.5334(2) 0.0439(14) Uani 1 1 d . . . . .
O012 O 0.1016(3) 0.4198(2) 0.9610(3) 0.065(2) Uani 1 1 d . . . . .
O013 O 0.0553(3) 0.3250(2) 0.4272(3) 0.0574(17) Uani 1 1 d . . . . .
O014 O -0.0310(3) 0.3621(2) 0.4840(3) 0.0506(16) Uani 1 1 d . . . . .
O015 O 0.0970(3) 0.7450(3) 0.8836(3) 0.0666(18) Uani 1 1 d . . . . .
O016 O -0.0193(3) 0.2061(3) 0.6039(3) 0.0645(19) Uani 1 1 d . . . . .
O017 O 0.1173(3) 0.4906(2) 0.8795(4) 0.070(2) Uani 1 1 d . . . . .
O018 O 0.0152(3) 0.2165(2) 0.4400(3) 0.0546(16) Uani 1 1 d . . . . .
O019 O -0.0799(3) 0.6778(2) 1.1500(3) 0.0469(14) Uani 1 1 d . . . . .
C01A C 0.4883(4) 0.8810(3) 0.5865(4) 0.0377(19) Uani 1 1 d . . . . .
C01B C 0.3680(4) 0.1823(3) 0.7712(4) 0.0386(18) Uani 1 1 d . . . . .
O01C O 0.1010(4) 0.3924(3) 0.7050(3) 0.076(2) Uani 1 1 d . . . . .
O01D O -0.1073(4) 0.6276(3) 0.8108(3) 0.074(2) Uani 1 1 d . . . . .
O01E O -0.1330(4) 0.1881(3) 0.5560(4) 0.078(2) Uani 1 1 d . . . . .
O01F O 0.0461(4) 0.1475(3) 0.3830(4) 0.075(2) Uani 1 1 d . . . . .
C01G C 0.5517(4) 0.1657(3) 1.0048(3) 0.0351(17) Uani 1 1 d . . . . .
C01H C 0.5883(4) 0.5939(3) 0.6500(4) 0.0372(18) Uani 1 1 d . . . . .
C01I C 0.3712(4) 0.3884(3) 0.7412(4) 0.0409(19) Uani 1 1 d . . . . .
O01J O -0.0556(4) 0.2962(3) 0.3892(3) 0.075(2) Uani 1 1 d . . . . .
C01K C 0.4293(4) 0.8854(3) 0.5976(3) 0.0375(18) Uani 1 1 d . . . . .
O01L O 0.0153(4) 0.4470(3) 0.4174(3) 0.076(2) Uani 1 1 d . . . . .
C01M C -0.0708(4) 0.5184(3) 0.9583(4) 0.0395(19) Uani 1 1 d . . . . .
O01N O -0.1235(4) 0.2572(3) 0.6401(4) 0.087(3) Uani 1 1 d . . . . .
C01O C 0.6157(4) 0.6976(3) 0.7610(3) 0.0359(17) Uani 1 1 d . . . . .
C01P C -0.1080(4) 0.6796(3) 0.9601(4) 0.0361(18) Uani 1 1 d . . . . .
C01Q C 0.4216(3) 0.2953(3) 0.7470(3) 0.0324(16) Uani 1 1 d . . . . .
O01R O -0.0665(4) 0.4219(2) 1.1405(4) 0.077(2) Uani 1 1 d . . . . .
C01S C 0.6287(4) 0.5316(3) 0.7514(4) 0.045(2) Uani 1 1 d . . . . .
C01T C 0.3304(3) 0.3087(3) 0.8014(4) 0.0341(17) Uani 1 1 d . . . . .
C01U C -0.1451(4) 0.7092(3) 0.9957(3) 0.0354(17) Uani 1 1 d . . . . .
C01V C 0.6366(4) 0.1887(3) 0.8959(4) 0.0404(19) Uani 1 1 d . . . . .
C01W C 0.0811(4) 0.6560(3) 1.0536(4) 0.042(2) Uani 1 1 d . . . . .
C01X C 0.2308(4) 0.2682(3) 0.8025(4) 0.0375(18) Uani 1 1 d . . . . .
O01Y O -0.0554(4) 0.5040(2) 0.6326(3) 0.067(2) Uani 1 1 d . . . . .
C01Z C 0.5314(4) 0.0758(3) 0.9163(4) 0.043(2) Uani 1 1 d . . . . .
O020 O 0.1354(4) 0.4524(3) 0.4594(4) 0.088(3) Uani 1 1 d . . . . .
C021 C 0.6666(4) 0.5696(3) 0.7249(4) 0.043(2) Uani 1 1 d . . . . .
C023 C 0.3230(4) 0.4250(3) 0.7547(4) 0.046(2) Uani 1 1 d . . . . .
H023 H 0.296569 0.413605 0.781722 0.055 Uiso 1 1 calc R U . . .
C024 C -0.0558(4) 0.4750(3) 0.9188(4) 0.043(2) Uani 1 1 d . . . . .
C025 C 0.4786(4) 0.1874(3) 0.7216(4) 0.0417(19) Uani 1 1 d . . . . .
C026 C 0.7219(3) 0.7404(4) 0.6287(4) 0.0433(18) Uani 1 1 d . . . . .
H026 H 0.718459 0.780067 0.633351 0.052 Uiso 1 1 calc R U . . .
C027 C 0.2423(4) 0.2543(3) 0.8621(4) 0.0392(18) Uani 1 1 d . . . . .
H027 H 0.214250 0.234801 0.882344 0.047 Uiso 1 1 calc R U . . .
O028 O 0.1125(5) 0.3940(3) 0.3700(4) 0.093(3) Uani 1 1 d . . . . .
C029 C 0.6873(4) 0.6442(3) 0.6484(4) 0.0370(17) Uani 1 1 d . . . . .
O02A O 0.1156(5) 0.5162(4) 1.1972(4) 0.103(4) Uani 1 1 d . . . . .
C02B C 0.4340(4) 0.1162(3) 0.9741(4) 0.0393(18) Uani 1 1 d . . . . .
C02C C 0.6458(4) 0.6023(3) 0.6736(4) 0.0387(19) Uani 1 1 d . . . . .
C02D C 0.6159(4) 0.3014(3) 0.9514(4) 0.049(2) Uani 1 1 d . . . . .
C02E C 0.3875(4) 0.7053(3) 0.6979(4) 0.042(2) Uani 1 1 d . . . . .
C02F C 0.6827(4) 0.7034(3) 0.6561(3) 0.0385(18) Uani 1 1 d . . . . .
C02G C -0.1254(4) 0.6698(3) 0.9011(4) 0.0404(19) Uani 1 1 d . . . . .
C02H C 0.7635(5) 0.7199(4) 0.5964(4) 0.053(2) Uani 1 1 d . . . . .
H02H H 0.787461 0.745595 0.577830 0.064 Uiso 1 1 calc R U . . .
C02I C 0.5978(5) 0.6346(4) 0.8609(4) 0.059(3) Uani 1 1 d . . . . .
H02I H 0.591771 0.613272 0.894255 0.071 Uiso 1 1 calc R U . . .
C02J C -0.1288(4) 0.5258(4) 0.9714(5) 0.053(2) Uani 1 1 d . . . . .
H02J H -0.138087 0.553557 0.998506 0.063 Uiso 1 1 calc R U . . .
C02K C 0.5273(4) 0.9253(3) 0.6083(4) 0.048(2) Uani 1 1 d . . . . .
H02K H 0.566698 0.923847 0.599920 0.058 Uiso 1 1 calc R U . . .
C02L C 0.4232(4) 0.3895(3) 0.8880(3) 0.0391(18) Uani 1 1 d . . . . .
C02M C 0.6181(4) 0.2212(3) 1.0949(4) 0.049(2) Uani 1 1 d . . . . .
C02N C 0.1757(4) 0.2543(3) 0.7733(4) 0.047(2) Uani 1 1 d . . . . .
H02N H 0.146658 0.236579 0.793597 0.056 Uiso 1 1 calc R U . . .
C02O C 0.0614(4) 0.7063(3) 1.0803(4) 0.0407(18) Uani 1 1 d . . . . .
C02P C -0.0697(3) 0.5786(3) 1.1406(4) 0.0365(17) Uani 1 1 d . . . . .
C02Q C 0.3778(3) 0.3307(3) 0.7645(3) 0.0333(16) Uani 1 1 d . . . . .
C02R C 0.6112(4) 0.1736(3) 1.0002(4) 0.0376(18) Uani 1 1 d . . . . .
C02S C 0.3866(4) 0.3182(3) 0.9777(4) 0.0373(18) Uani 1 1 d . . . . .
C02T C 0.4118(4) 0.4087(3) 0.7015(4) 0.045(2) Uani 1 1 d . . . . .
C02U C 0.0809(5) 0.6951(3) 0.8960(4) 0.049(2) Uani 1 1 d . . . . .
C02V C 0.5707(4) 0.5247(3) 0.7273(4) 0.048(2) Uani 1 1 d . . . . .
H02V H 0.545099 0.499815 0.744835 0.058 Uiso 1 1 calc R U . . .
N02W N 0.0466(4) 0.3267(3) 0.7824(4) 0.065(2) Uani 1 1 d . . . . .
H02A H 0.066230 0.341859 0.753779 0.078 Uiso 1 1 calc R U . . .
H02B H 0.072803 0.316364 0.810751 0.078 Uiso 1 1 calc R U . . .
C02X C -0.1081(4) 0.6153(4) 1.2280(4) 0.050(2) Uani 1 1 d . . . . .
H02X H -0.119209 0.646084 1.250825 0.060 Uiso 1 1 calc R U . . .
C02Y C -0.0677(5) 0.4038(4) 0.4588(4) 0.054(2) Uani 1 1 d . . . . .
C02Z C 0.4095(4) 0.9344(3) 0.6298(4) 0.046(2) Uani 1 1 d . . . . .
C030 C 0.2951(4) 0.2697(3) 0.8898(4) 0.0402(19) Uani 1 1 d . . . . .
H030 H 0.301951 0.260952 0.929135 0.048 Uiso 1 1 calc R U . . .
C031 C 0.3841(4) 0.8414(3) 0.5757(4) 0.0384(18) Uani 1 1 d . . . . .
C032 C 0.4625(4) 0.3181(4) 0.7073(4) 0.048(2) Uani 1 1 d . . . . .
H032 H 0.492814 0.294644 0.695859 0.058 Uiso 1 1 calc R U . . .
C033 C 0.3272(4) 0.1836(4) 0.7246(5) 0.055(2) Uani 1 1 d . . . . .
H033 H 0.333424 0.206947 0.692719 0.066 Uiso 1 1 calc R U . . .
C034 C 0.3369(4) 0.7475(3) 0.5793(4) 0.050(2) Uani 1 1 d . . . . .
H034 H 0.334541 0.711118 0.596041 0.060 Uiso 1 1 calc R U . . .
C035 C -0.0912(4) 0.3512(3) 0.6312(4) 0.048(2) Uani 1 1 d . . . . .
C036 C 0.4210(4) 0.2904(3) 1.0209(4) 0.0432(19) Uani 1 1 d . . . . .
H036 H 0.454134 0.270073 1.010896 0.052 Uiso 1 1 calc R U . . .
C037 C 0.6601(4) 0.1653(4) 0.8454(4) 0.046(2) Uani 1 1 d . . . . .
H037 H 0.654673 0.185283 0.810493 0.055 Uiso 1 1 calc R U . . .
C038 C 0.4378(5) 0.6193(4) 0.5631(6) 0.070(3) Uani 1 1 d . . . . .
H038 H 0.433824 0.655646 0.579592 0.083 Uiso 1 1 calc R U . . .
N039 N 0.0591(6) 0.8362(4) 0.9451(5) 0.093(4) Uani 1 1 d . . . . .
H039 H 0.051798 0.859159 0.916220 0.112 Uiso 1 1 d R U . . .
C03A C 0.1265(4) 0.5424(4) 0.8570(5) 0.059(3) Uani 1 1 d . . . . .
C03B C 0.2771(5) 0.1502(4) 0.7251(6) 0.071(4) Uani 1 1 d . . . . .
H03B H 0.249695 0.151230 0.693401 0.085 Uiso 1 1 calc R U . . .
C03C C 0.6454(4) 0.2003(3) 1.0467(4) 0.046(2) Uani 1 1 d . . . . .
C03D C 0.7246(4) 0.5759(4) 0.7499(4) 0.052(2) Uani 1 1 d . . . . .
H03D H 0.750234 0.601358 0.733197 0.062 Uiso 1 1 calc R U . . .
C03E C -0.1013(5) 0.4425(4) 0.8920(4) 0.058(3) Uani 1 1 d . . . . .
H03E H -0.092396 0.414331 0.865157 0.069 Uiso 1 1 calc R U . . .
C03F C 0.2749(4) 0.2953(3) 0.7716(4) 0.0368(18) Uani 1 1 d . . . . .
C03G C 0.6074(4) 0.6325(3) 0.5320(4) 0.0372(18) Uani 1 1 d . . . . .
C03H C 0.6258(4) 0.2944(3) 0.8315(4) 0.048(2) Uani 1 1 d . . . . .
C03I C 0.6322(5) 0.5812(4) 0.5142(5) 0.059(3) Uani 1 1 d . . . . .
H03I H 0.624242 0.547019 0.533329 0.071 Uiso 1 1 calc R U . . .
C03J C 0.5607(4) 0.6778(3) 0.7724(4) 0.0440(19) Uani 1 1 d . . . . .
H03J H 0.528855 0.685631 0.746382 0.053 Uiso 1 1 calc R U . . .
C03K C 0.4923(4) 0.5945(3) 0.5622(4) 0.041(2) Uani 1 1 d . . . . .
C03L C 0.4072(5) 0.2923(4) 1.0787(4) 0.055(2) Uani 1 1 d . . . . .
H03L H 0.430707 0.272998 1.106972 0.066 Uiso 1 1 calc R U . . .
C03M C 0.7434(5) 0.5453(4) 0.7981(5) 0.063(3) Uani 1 1 d . . . . .
H03M H 0.782012 0.549009 0.813249 0.076 Uiso 1 1 calc R U . . .
C03N C 0.3391(3) 0.2981(3) 0.8609(3) 0.0307(16) Uani 1 1 d . . . . .
C03O C 0.6527(5) 0.6545(4) 0.8504(4) 0.056(2) Uani 1 1 d . . . . .
H03O H 0.683960 0.646670 0.877194 0.067 Uiso 1 1 calc R U . . .
C03P C -0.1977(4) 0.7311(3) 0.9734(4) 0.0436(18) Uani 1 1 d . . . . .
H03P H -0.221739 0.751588 0.997273 0.052 Uiso 1 1 calc R U . . .
C03Q C 0.0923(5) 0.5115(4) 1.1467(5) 0.063(3) Uani 1 1 d . . . . .
C03R C 0.3799(4) 0.7884(3) 0.6034(3) 0.0360(17) Uani 1 1 d . . . . .
C03S C 0.4163(5) 0.6548(4) 0.7154(5) 0.064(3) Uani 1 1 d . . . . .
H03S H 0.453986 0.647429 0.703904 0.077 Uiso 1 1 calc R U . . .
C03T C 0.3798(5) 0.4314(3) 0.8855(4) 0.052(2) Uani 1 1 d . . . . .
H03T H 0.340664 0.420897 0.887903 0.062 Uiso 1 1 calc R U . . .
C03U C 0.6756(4) 0.1043(3) 0.9493(4) 0.045(2) Uani 1 1 d . . . . .
C03V C -0.1124(5) 0.5592(4) 1.2483(4) 0.060(3) Uani 1 1 d . . . . .
H03V H -0.126455 0.552487 1.284739 0.071 Uiso 1 1 calc R U . . .
C03W C -0.0872(4) 0.6254(3) 1.1741(4) 0.0381(18) Uani 1 1 d . . . . .
C03X C 0.5515(4) 0.5548(3) 0.6777(4) 0.049(2) Uani 1 1 d . . . . .
H03X H 0.513250 0.549034 0.662112 0.059 Uiso 1 1 calc R U . . .
C03Y C 0.5252(4) 0.1843(3) 1.0565(4) 0.043(2) Uani 1 1 d . . . . .
H03Y H 0.485532 0.177077 1.060745 0.052 Uiso 1 1 calc R U . . .
C03Z C 0.4581(4) 0.3725(4) 0.6864(4) 0.049(2) Uani 1 1 d . . . . .
H03Z H 0.485813 0.386100 0.661796 0.059 Uiso 1 1 calc R U . . .
C040 C 0.2620(4) 0.3078(3) 0.7113(4) 0.043(2) Uani 1 1 d . . . . .
H040 H 0.290058 0.325354 0.689559 0.051 Uiso 1 1 calc R U . . .
C041 C 0.5081(5) 0.9697(3) 0.6411(5) 0.058(3) Uani 1 1 d . . . . .
H041 H 0.535080 0.996892 0.655902 0.070 Uiso 1 1 calc R U . . .
C042 C 0.5721(5) 0.3241(4) 0.9832(4) 0.057(2) Uani 1 1 d . . . . .
H042 H 0.533139 0.313095 0.975360 0.068 Uiso 1 1 calc R U . . .
C043 C -0.2153(4) 0.7226(3) 0.9142(4) 0.046(2) Uani 1 1 d . . . . .
H043 H -0.250911 0.737392 0.898847 0.055 Uiso 1 1 calc R U . . .
C044 C 0.5338(4) 0.1667(4) 0.7390(4) 0.053(2) Uani 1 1 d . . . . .
H044 H 0.549380 0.174474 0.776496 0.064 Uiso 1 1 calc R U . . .
C045 C 0.6886(5) 0.0725(4) 1.0015(5) 0.064(3) Uani 1 1 d . . . . .
H045 H 0.673498 0.085437 1.035810 0.077 Uiso 1 1 calc R U . . .
C046 C 0.7451(4) 0.5613(3) 0.6108(5) 0.053(2) Uani 1 1 d . . . . .
H046 H 0.720919 0.534879 0.628045 0.064 Uiso 1 1 calc R U . . .
C047 C 0.4512(8) 0.5068(5) 0.8771(5) 0.087(4) Uani 1 1 d . . . . .
H047 H 0.460344 0.545817 0.875250 0.105 Uiso 1 1 calc R U . . .
C048 C -0.0885(4) 0.6359(4) 0.8625(4) 0.049(2) Uani 1 1 d . . . . .
C049 C 0.4297(7) 1.0214(4) 0.6872(5) 0.073(3) Uani 1 1 d . . . . .
H049 H 0.456840 1.047315 0.704052 0.087 Uiso 1 1 calc R U . . .
C04A C 0.4714(4) 0.8083(3) 0.4851(4) 0.0424(19) Uani 1 1 d . . . . .
C04B C 0.3304(5) 0.7139(4) 0.7125(5) 0.061(3) Uani 1 1 d . . . . .
H04B H 0.310356 0.746961 0.699688 0.073 Uiso 1 1 calc R U . . .
C04C C -0.0556(4) 0.4729(3) 1.1249(4) 0.049(2) Uani 1 1 d . . . . .
C04D C 0.2089(4) 0.2940(3) 0.6862(4) 0.049(2) Uani 1 1 d . . . . .
H04D H 0.201013 0.303012 0.647096 0.058 Uiso 1 1 calc R U . . .
C04E C 0.6402(4) 0.1565(3) 0.9474(4) 0.042(2) Uani 1 1 d . . . . .
C04F C -0.1794(4) 0.6921(3) 0.8792(4) 0.048(2) Uani 1 1 d . . . . .
H04F H -0.191328 0.686175 0.840249 0.058 Uiso 1 1 calc R U . . .
C04G C 0.6222(4) 0.6835(4) 0.5049(4) 0.054(2) Uani 1 1 d . . . . .
H04G H 0.607066 0.718457 0.516967 0.064 Uiso 1 1 calc R U . . .
C04H C 0.5574(5) 0.2123(4) 1.0993(4) 0.052(2) Uani 1 1 d . . . . .
H04H H 0.539271 0.225807 1.131803 0.063 Uiso 1 1 calc R U . . .
C04I C 0.6530(4) 0.8061(3) 0.7203(4) 0.045(2) Uani 1 1 d . . . . .
C04J C 0.1653(4) 0.2670(3) 0.7156(4) 0.047(2) Uani 1 1 d . . . . .
H04J H 0.129516 0.257580 0.696389 0.057 Uiso 1 1 calc R U . . .
C04K C 0.6628(4) 0.6861(4) 0.8005(4) 0.052(2) Uani 1 1 d . . . . .
H04K H 0.700295 0.699331 0.793787 0.062 Uiso 1 1 calc R U . . .
C04L C 0.0385(5) 0.2066(3) 0.5935(4) 0.053(2) Uani 1 1 d . . . . .
C04M C 0.7004(4) 0.0836(4) 0.8984(5) 0.057(3) Uani 1 1 d . . . . .
C04N C 0.3852(4) 0.1520(4) 0.9718(4) 0.048(2) Uani 1 1 d . . . . .
H04N H 0.389443 0.189471 0.958233 0.058 Uiso 1 1 calc R U . . .
C04O C -0.0739(4) 0.5222(3) 1.1599(4) 0.043(2) Uani 1 1 d . . . . .
C04P C 0.7256(6) 0.8647(5) 0.7741(5) 0.079(4) Uani 1 1 d . . . . .
H04P H 0.761728 0.868028 0.794931 0.095 Uiso 1 1 calc R U . . .
C04Q C 0.7721(4) 0.6596(4) 0.5895(4) 0.047(2) Uani 1 1 d . . . . .
C04R C 0.3579(4) 0.1462(4) 0.8182(5) 0.054(2) Uani 1 1 d . . . . .
H04R H 0.385665 0.144359 0.849537 0.064 Uiso 1 1 calc R U . . .
C04S C -0.1267(6) 0.4031(4) 0.4660(6) 0.078(3) Uani 1 1 d . . . . .
H04S H -0.142357 0.373476 0.487552 0.093 Uiso 1 1 calc R U . . .
C04T C 0.1024(5) 0.7452(4) 1.1048(5) 0.061(3) Uani 1 1 d . . . . .
H04T H 0.089502 0.778823 1.122060 0.073 Uiso 1 1 calc R U . . .
C04U C 0.1404(4) 0.6460(4) 1.0534(5) 0.056(2) Uani 1 1 d . . . . .
H04U H 0.153468 0.612060 1.037009 0.067 Uiso 1 1 calc R U . . .
C04V C 0.1165(4) 0.4225(3) 0.5518(4) 0.048(2) Uani 1 1 d . . . . .
C04W C 0.4501(5) 0.9753(3) 0.6530(4) 0.053(2) Uani 1 1 d . . . . .
C04X C 0.0983(5) 0.5886(3) 0.8839(4) 0.051(2) Uani 1 1 d . . . . .
C04Y C 0.7340(4) 0.6210(3) 0.6163(4) 0.0420(19) Uani 1 1 d . . . . .
N04Z N -0.0100(4) 0.0674(4) 0.4461(5) 0.076(3) Uani 1 1 d . . . . .
H04A H 0.013102 0.092608 0.429230 0.092 Uiso 1 1 calc R U . . .
H04C H 0.006117 0.032631 0.443341 0.092 Uiso 1 1 calc R U . . .
C050 C 0.0908(4) 0.3893(3) 0.6511(4) 0.048(2) Uani 1 1 d . . . . .
C051 C 0.4586(4) 0.1773(4) 0.6646(4) 0.053(2) Uani 1 1 d . . . . .
H051 H 0.422104 0.191989 0.651533 0.064 Uiso 1 1 calc R U . . .
C052 C 0.5524(5) 0.6464(4) 0.8220(4) 0.053(2) Uani 1 1 d . . . . .
H052 H 0.514929 0.633073 0.828910 0.063 Uiso 1 1 calc R U . . .
C053 C 0.0622(4) 0.2489(3) 0.5584(4) 0.048(2) Uani 1 1 d . . . . .
C054 C -0.1731(5) 0.4925(4) 0.9447(5) 0.063(3) Uani 1 1 d . . . . .
H054 H -0.211974 0.497873 0.953618 0.076 Uiso 1 1 calc R U . . .
C055 C 0.3737(7) 1.0285(4) 0.6957(5) 0.082(4) Uani 1 1 d . . . . .
H055 H 0.361813 1.058810 0.718630 0.099 Uiso 1 1 calc R U . . .
C056 C 0.6903(4) 0.1147(4) 0.8461(5) 0.061(3) Uani 1 1 d . . . . .
H056 H 0.704316 0.100520 0.811836 0.074 Uiso 1 1 calc R U . . .
C057 C 0.3017(4) 0.8159(4) 0.5066(4) 0.046(2) Uani 1 1 d . . . . .
C058 C 0.1210(4) 0.2482(4) 0.5485(4) 0.057(2) Uani 1 1 d . . . . .
H058 H 0.136669 0.275982 0.524703 0.068 Uiso 1 1 calc R U . . .
C059 C 0.1157(4) 0.4148(3) 1.0169(4) 0.051(2) Uani 1 1 d . . . . .
C05A C 0.5882(4) 0.8423(3) 0.5203(4) 0.044(2) Uani 1 1 d . . . . .
N05B N -0.0332(5) 0.5742(5) 0.7398(4) 0.082(3) Uani 1 1 d . . . . .
H05A H -0.046125 0.565792 0.703534 0.099 Uiso 1 1 calc R U . . .
H05B H -0.062786 0.589825 0.757814 0.099 Uiso 1 1 calc R U . . .
C05C C -0.0908(4) 0.4093(3) 0.6476(4) 0.049(2) Uani 1 1 d . . . . .
C05D C 0.0978(4) 0.4615(3) 1.0523(4) 0.046(2) Uani 1 1 d . . . . .
C05E C 0.6495(5) 0.5013(4) 0.8029(4) 0.060(3) Uani 1 1 d . . . . .
H05E H 0.624308 0.476522 0.821179 0.071 Uiso 1 1 calc R U . . .
C05F C -0.1262(5) 0.3118(4) 0.6586(5) 0.071(3) Uani 1 1 d . . . . .
C05G C 0.3170(5) 0.4777(4) 0.7264(5) 0.061(3) Uani 1 1 d . . . . .
H05G H 0.285708 0.501431 0.734766 0.073 Uiso 1 1 calc R U . . .
C05H C 0.5582(4) 0.0352(3) 0.9531(4) 0.050(2) Uani 1 1 d . . . . .
H05H H 0.562426 0.042605 0.992831 0.060 Uiso 1 1 calc R U . . .
C05I C 0.3446(4) 0.8561(3) 0.5280(4) 0.0398(19) Uani 1 1 d . . . . .
C05J C 0.1521(5) 0.4543(4) 0.5156(5) 0.061(3) Uani 1 1 d . . . . .
C05K C -0.0544(4) 0.4529(3) 0.6169(4) 0.049(2) Uani 1 1 d . . . . .
C05L C 0.7907(5) 0.5419(4) 0.5805(5) 0.066(3) Uani 1 1 d . . . . .
H05L H 0.797085 0.502418 0.577975 0.079 Uiso 1 1 calc R U . . .
C05N C 0.3556(5) 0.4967(4) 0.6862(5) 0.063(3) Uani 1 1 d . . . . .
H05N H 0.349032 0.531579 0.666985 0.076 Uiso 1 1 calc R U . . .
C05O C 0.6176(5) 0.8542(3) 0.7149(4) 0.055(2) Uani 1 1 d . . . . .
H05O H 0.581050 0.851320 0.694707 0.066 Uiso 1 1 calc R U . . .
C05P C 0.6515(6) 0.2519(4) 1.1401(5) 0.073(3) Uani 1 1 d . . . . .
H05P H 0.633082 0.266845 1.171731 0.088 Uiso 1 1 calc R U . . .
C05Q C 0.3253(5) 0.0789(5) 1.0089(5) 0.070(3) Uani 1 1 d . . . . .
H05Q H 0.289433 0.066344 1.021473 0.084 Uiso 1 1 calc R U . . .
C05R C -0.1255(5) 0.4265(4) 0.6906(5) 0.064(3) Uani 1 1 d . . . . .
H05R H -0.126603 0.465343 0.700509 0.077 Uiso 1 1 calc R U . . .
C05S C 0.4295(4) 0.8161(3) 0.7207(4) 0.042(2) Uani 1 1 d . . . . .
C05T C 0.6349(6) 0.9062(4) 0.7387(6) 0.079(4) Uani 1 1 d . . . . .
H05T H 0.610176 0.938089 0.734902 0.095 Uiso 1 1 calc R U . . .
C05U C 0.0441(5) 0.2006(4) 0.3966(5) 0.061(3) Uani 1 1 d . . . . .
C05V C 0.1617(4) 0.7345(5) 1.1039(6) 0.076(3) Uani 1 1 d . . . . .
H05V H 0.188666 0.760326 1.121189 0.092 Uiso 1 1 calc R U . . .
C05W C 0.4494(5) 0.7544(4) 0.4715(5) 0.061(3) Uani 1 1 d . . . . .
H05W H 0.461279 0.723109 0.494660 0.073 Uiso 1 1 calc R U . . .
C05X C 0.4024(5) 0.4645(4) 0.6753(4) 0.060(3) Uani 1 1 d . . . . .
H05X H 0.429458 0.478501 0.650172 0.073 Uiso 1 1 calc R U . . .
C05Y C 0.8190(5) 0.6374(4) 0.5573(5) 0.063(3) Uani 1 1 d . . . . .
H05Y H 0.843649 0.662682 0.539059 0.075 Uiso 1 1 calc R U . . .
C05Z C 0.6827(5) 0.6310(5) 0.4428(5) 0.072(3) Uani 1 1 d . . . . .
H05Z H 0.708507 0.630569 0.413085 0.086 Uiso 1 1 calc R U . . .
C060 C 0.5745(6) -0.0271(4) 0.8736(6) 0.078(4) Uani 1 1 d . . . . .
H060 H 0.590517 -0.060659 0.859034 0.094 Uiso 1 1 calc R U . . .
C061 C 0.4809(5) 0.4085(4) 0.8846(5) 0.058(2) Uani 1 1 d . . . . .
H061 H 0.511339 0.381702 0.886953 0.070 Uiso 1 1 calc R U . . .
C062 C 0.3482(5) 0.9432(4) 0.6382(4) 0.055(2) Uani 1 1 d . . . . .
H062 H 0.320211 0.917524 0.622270 0.066 Uiso 1 1 calc R U . . .
C063 C 0.5892(4) 0.3274(4) 0.7954(4) 0.048(2) Uani 1 1 d . . . . .
H063 H 0.548840 0.325892 0.799046 0.058 Uiso 1 1 calc R U . . .
C064 C 0.5667(5) 0.1342(4) 0.7012(6) 0.067(3) Uani 1 1 d . . . . .
H064 H 0.603289 0.119446 0.713648 0.081 Uiso 1 1 calc R U . . .
C065 C 0.2620(5) 0.8301(4) 0.4595(5) 0.062(3) Uani 1 1 d . . . . .
H065 H 0.234638 0.803109 0.444990 0.074 Uiso 1 1 calc R U . . .
C066 C 0.3243(5) 0.3514(4) 1.0531(4) 0.058(3) Uani 1 1 d . . . . .
H066 H 0.291712 0.371972 1.064037 0.070 Uiso 1 1 calc R U . . .
C067 C 0.1749(5) 0.4537(4) 0.6351(6) 0.067(3) Uani 1 1 d . . . . .
H067 H 0.183714 0.453299 0.675070 0.081 Uiso 1 1 calc R U . . .
C068 C 0.6701(7) 0.3661(5) 0.7483(5) 0.078(4) Uani 1 1 d . . . . .
H068 H 0.685410 0.390847 0.721271 0.094 Uiso 1 1 calc R U . . .
C069 C 0.3832(6) 0.8886(4) 0.7781(5) 0.068(3) Uani 1 1 d . . . . .
H069 H 0.350237 0.910292 0.785701 0.081 Uiso 1 1 calc R U . . .
C06A C 0.8279(5) 0.5794(5) 0.5533(5) 0.067(3) Uani 1 1 d . . . . .
H06A H 0.858458 0.565043 0.532637 0.080 Uiso 1 1 calc R U . . .
C06B C 0.6375(5) 0.8521(4) 0.5567(6) 0.068(3) Uani 1 1 d . . . . .
H06B H 0.634159 0.848929 0.596623 0.082 Uiso 1 1 calc R U . . .
C06C C 0.3305(5) 0.1351(5) 0.9887(5) 0.065(3) Uani 1 1 d . . . . .
H06C H 0.298571 0.160200 0.986571 0.078 Uiso 1 1 calc R U . . .
C06D C 0.7388(5) 0.2353(6) 1.0900(5) 0.077(3) Uani 1 1 d . . . . .
H06D H 0.779418 0.238395 1.089449 0.093 Uiso 1 1 calc R U . . .
C06E C 0.1097(5) 0.4626(3) 1.1119(5) 0.055(3) Uani 1 1 d . . . . .
C06F C 0.5258(5) 0.0642(4) 0.8571(5) 0.063(3) Uani 1 1 d . . . . .
H06F H 0.508501 0.091371 0.831649 0.076 Uiso 1 1 calc R U . . .
C06G C 0.3595(5) 0.3221(4) 1.0941(4) 0.056(2) Uani 1 1 d . . . . .
H06G H 0.350366 0.322887 1.132887 0.067 Uiso 1 1 calc R U . . .
C06H C 0.4349(7) 0.8940(4) 0.8126(5) 0.077(4) Uani 1 1 d . . . . .
H06H H 0.436785 0.920849 0.842676 0.093 Uiso 1 1 calc R U . . .
C06I C -0.1588(5) 0.4508(4) 0.9041(5) 0.066(3) Uani 1 1 d . . . . .
H06I H -0.188321 0.428637 0.885389 0.079 Uiso 1 1 calc R U . . .
C06J C 0.0774(4) 0.2430(4) 0.3645(4) 0.056(2) Uani 1 1 d . . . . .
C06K C -0.1479(5) 0.1849(4) 0.4982(7) 0.072(4) Uani 1 1 d . . . . .
N06L N -0.0471(8) 0.3497(7) 0.2483(7) 0.146(6) Uani 1 1 d . . . . .
H06E H -0.068536 0.366904 0.219657 0.175 Uiso 1 1 calc R U . . .
H06J H -0.071551 0.329518 0.269155 0.175 Uiso 1 1 calc R U . . .
C06M C 0.3447(5) 0.9113(4) 0.5005(4) 0.054(2) Uani 1 1 d . . . . .
H06M H 0.372241 0.938852 0.513373 0.065 Uiso 1 1 calc R U . . .
C06N C 0.3385(5) 0.3498(3) 0.9940(4) 0.049(2) Uani 1 1 d . . . . .
H06N H 0.315538 0.369971 0.965987 0.059 Uiso 1 1 calc R U . . .
C06O C 0.7084(5) 0.2075(4) 1.0449(5) 0.063(3) Uani 1 1 d . . . . .
H06O H 0.728025 0.193499 1.013608 0.076 Uiso 1 1 calc R U . . .
C06P C 0.2671(5) 0.1149(5) 0.7730(6) 0.070(3) Uani 1 1 d . . . . .
H06P H 0.233041 0.092689 0.773177 0.085 Uiso 1 1 calc R U . . .
C06Q C 0.7044(6) 0.5083(4) 0.8249(5) 0.069(3) Uani 1 1 d . . . . .
H06Q H 0.717183 0.488311 0.858379 0.083 Uiso 1 1 calc R U . . .
C06R C 0.1083(4) 0.6459(4) 0.8661(4) 0.050(2) Uani 1 1 d . . . . .
C06S C 0.5458(6) 0.0123(5) 0.8354(6) 0.085(4) Uani 1 1 d . . . . .
H06S H 0.540211 0.003777 0.795915 0.102 Uiso 1 1 calc R U . . .
C06T C 0.4530(5) 0.8536(4) 0.4493(4) 0.056(2) Uani 1 1 d . . . . .
H06T H 0.465530 0.890685 0.459233 0.067 Uiso 1 1 calc R U . . .
C06U C 0.1813(5) 0.6849(4) 1.0770(6) 0.072(3) Uani 1 1 d . . . . .
H06U H 0.221326 0.677990 1.074897 0.086 Uiso 1 1 calc R U . . .
C06V C 0.6863(5) 0.2973(5) 0.8245(6) 0.075(3) Uani 1 1 d . . . . .
H06V H 0.711994 0.275025 0.848128 0.089 Uiso 1 1 calc R U . . .
C06W C 0.1428(5) 0.6545(5) 0.8186(5) 0.072(3) Uani 1 1 d . . . . .
H06W H 0.148588 0.691757 0.805032 0.087 Uiso 1 1 calc R U . . .
C06X C 0.6681(6) 0.5804(5) 0.4692(5) 0.075(3) Uani 1 1 d . . . . .
H06X H 0.682706 0.545486 0.456275 0.090 Uiso 1 1 calc R U . . .
C06Y C 0.4259(5) 0.0598(4) 0.9946(5) 0.060(3) Uani 1 1 d . . . . .
H06Y H 0.457431 0.034301 0.997274 0.072 Uiso 1 1 calc R U . . .
C06Z C 0.3314(6) 0.9899(4) 0.6699(5) 0.071(3) Uani 1 1 d . . . . .
H06Z H 0.291666 0.996314 0.674460 0.085 Uiso 1 1 calc R U . . .
C070 C -0.1178(5) 0.2239(4) 0.4637(6) 0.064(3) Uani 1 1 d . . . . .
C071 C 0.3005(4) 0.7610(4) 0.5333(4) 0.054(2) Uani 1 1 d . . . . .
H071 H 0.273747 0.733567 0.518613 0.064 Uiso 1 1 calc R U . . .
C072 C 0.0804(5) 0.3000(4) 0.3803(4) 0.064(3) Uani 1 1 d . . . . .
C073 C 0.0753(5) 0.1634(4) 0.6183(5) 0.060(3) Uani 1 1 d . . . . .
H073 H 0.060185 0.135142 0.641835 0.073 Uiso 1 1 calc R U . . .
C074 C 0.5790(5) -0.0168(4) 0.9315(6) 0.069(3) Uani 1 1 d . . . . .
H074 H 0.595902 -0.044166 0.956887 0.083 Uiso 1 1 calc R U . . .
C075 C 0.3818(5) 0.8493(3) 0.7313(5) 0.056(3) Uani 1 1 d . . . . .
H075 H 0.347737 0.845862 0.707150 0.067 Uiso 1 1 calc R U . . .
C076 C 0.5871(8) 0.3642(5) 1.0278(6) 0.092(4) Uani 1 1 d . . . . .
H076 H 0.557086 0.379301 1.048795 0.110 Uiso 1 1 calc R U . . .
C077 C 0.1260(4) 0.4215(3) 0.6117(4) 0.051(2) Uani 1 1 d . . . . .
C078 C -0.0959(5) 0.5132(3) 1.2148(5) 0.058(3) Uani 1 1 d . . . . .
H078 H -0.099508 0.475815 1.228827 0.070 Uiso 1 1 calc R U . . .
C079 C 0.6890(7) 0.9110(5) 0.7682(6) 0.088(4) Uani 1 1 d . . . . .
H079 H 0.700744 0.946224 0.784376 0.106 Uiso 1 1 calc R U . . .
C07A C 0.7112(6) 0.2588(5) 1.1360(5) 0.082(4) Uani 1 1 d . . . . .
H07A H 0.732976 0.279533 1.164496 0.099 Uiso 1 1 calc R U . . .
C07B C 0.1573(5) 0.2050(5) 0.5746(6) 0.072(3) Uani 1 1 d . . . . .
H07B H 0.197477 0.205180 0.569363 0.086 Uiso 1 1 calc R U . . .
C07C C 0.4795(5) 0.8212(4) 0.7569(5) 0.063(3) Uani 1 1 d . . . . .
H07C H 0.511612 0.797805 0.750343 0.075 Uiso 1 1 calc R U . . .
C07D C 0.6118(6) 0.3634(4) 0.7529(5) 0.065(3) Uani 1 1 d . . . . .
H07D H 0.586552 0.385138 0.728228 0.078 Uiso 1 1 calc R U . . .
C07E C 0.3901(6) 0.5372(5) 0.5192(6) 0.085(4) Uani 1 1 d . . . . .
H07E H 0.355944 0.518850 0.504824 0.102 Uiso 1 1 calc R U . . .
C07F C 0.1122(6) 0.3406(5) 0.3489(5) 0.075(3) Uani 1 1 d . . . . .
C07G C -0.0807(8) 0.4886(5) 0.4011(6) 0.090(4) Uani 1 1 d . . . . .
H07G H -0.065449 0.518106 0.379203 0.109 Uiso 1 1 calc R U . . .
C07H C 0.7220(5) 0.0242(5) 1.0030(6) 0.074(3) Uani 1 1 d . . . . .
H07H H 0.729561 0.004435 1.037829 0.089 Uiso 1 1 calc R U . . .
C07I C -0.1397(8) 0.4871(6) 0.4092(7) 0.100(5) Uani 1 1 d . . . . .
H07I H -0.163930 0.515298 0.391831 0.120 Uiso 1 1 calc R U . . .
C07J C 0.1974(5) 0.4860(5) 0.5402(6) 0.075(3) Uani 1 1 d . . . . .
H07J H 0.220403 0.508268 0.516817 0.091 Uiso 1 1 calc R U . . .
C07K C 0.7085(5) 0.8124(4) 0.7489(5) 0.058(3) Uani 1 1 d . . . . .
H07K H 0.734321 0.781240 0.751021 0.070 Uiso 1 1 calc R U . . .
C07L C 0.3948(6) 0.4899(4) 0.8794(5) 0.067(3) Uani 1 1 d . . . . .
H07L H 0.365152 0.517505 0.876857 0.081 Uiso 1 1 calc R U . . .
C07M C -0.1306(6) 0.2274(5) 0.4047(6) 0.082(4) Uani 1 1 d . . . . .
C07N C -0.1592(7) 0.3303(5) 0.7040(7) 0.104(5) Uani 1 1 d . . . . .
H07N H -0.181391 0.303960 0.723705 0.125 Uiso 1 1 calc R U . . .
C07O C -0.0432(7) 0.4460(4) 0.4254(5) 0.067(3) Uani 1 1 d . . . . .
C07P C 0.2095(6) 0.4853(5) 0.6004(7) 0.086(4) Uani 1 1 d . . . . .
H07P H 0.241079 0.506276 0.616982 0.103 Uiso 1 1 calc R U . . .
C07Q C 0.3072(5) 0.1132(4) 0.8189(6) 0.074(4) Uani 1 1 d . . . . .
H07Q H 0.300846 0.089893 0.850838 0.089 Uiso 1 1 calc R U . . .
C07R C 0.3891(7) 0.6155(4) 0.7500(6) 0.086(5) Uani 1 1 d . . . . .
H07R H 0.408665 0.582000 0.762296 0.103 Uiso 1 1 calc R U . . .
C07S C 0.4943(6) 0.4668(6) 0.8776(6) 0.081(4) Uani 1 1 d . . . . .
H07S H 0.532949 0.478062 0.873349 0.098 Uiso 1 1 calc R U . . .
C07T C 0.1677(6) 0.6095(5) 0.7920(6) 0.086(4) Uani 1 1 d . . . . .
H07T H 0.190598 0.616764 0.760736 0.103 Uiso 1 1 calc R U . . .
C07V C 0.3715(6) 0.0422(4) 1.0107(5) 0.072(3) Uani 1 1 d . . . . .
H07V H 0.366442 0.004383 1.022969 0.087 Uiso 1 1 calc R U . . .
C07W C 0.4953(5) 0.5390(4) 0.5400(6) 0.075(4) Uani 1 1 d . . . . .
H07W H 0.531592 0.520900 0.538333 0.090 Uiso 1 1 calc R U . . .
C07X C 0.5437(6) 0.1246(4) 0.6453(6) 0.078(4) Uani 1 1 d . . . . .
H07X H 0.564842 0.102955 0.619756 0.094 Uiso 1 1 calc R U . . .
C07Y C 0.3892(6) 0.5911(5) 0.5400(7) 0.100(5) Uani 1 1 d . . . . .
H07Y H 0.353399 0.610396 0.538600 0.120 Uiso 1 1 calc R U . . .
C07Z C -0.1158(7) 0.2761(6) 0.3128(6) 0.099(5) Uani 1 1 d . . . . .
C080 C 0.1354(7) 0.2638(5) 0.2842(5) 0.086(4) Uani 1 1 d . . . . .
H080 H 0.152963 0.251236 0.251060 0.103 Uiso 1 1 calc R U . . .
C081 C 0.7451(5) 0.0040(4) 0.9517(7) 0.083(4) Uani 1 1 d . . . . .
H081 H 0.767284 -0.029770 0.952511 0.099 Uiso 1 1 calc R U . . .
C082 C 0.1069(5) 0.2267(5) 0.3155(5) 0.072(3) Uani 1 1 d . . . . .
H082 H 0.106411 0.188036 0.304637 0.087 Uiso 1 1 calc R U . . .
C083 C 0.7356(5) 0.0328(4) 0.9017(6) 0.069(3) Uani 1 1 d . . . . .
H083 H 0.752299 0.019321 0.868383 0.082 Uiso 1 1 calc R U . . .
C084 C 0.1373(6) 0.4141(4) 1.1368(5) 0.079(4) Uani 1 1 d . . . . .
H084 H 0.143248 0.412143 1.177059 0.095 Uiso 1 1 calc R U . . .
C085 C 0.6731(6) 0.3189(5) 0.9650(7) 0.088(4) Uani 1 1 d . . . . .
H085 H 0.703805 0.304000 0.944765 0.106 Uiso 1 1 calc R U . . .
C086 C 0.0157(5) 0.2758(5) 0.7607(6) 0.079(3) Uani 1 1 d . . . . .
H08D H -0.007325 0.285217 0.725630 0.118 Uiso 1 1 calc R U . . .
H08G H -0.009672 0.262096 0.789468 0.118 Uiso 1 1 calc R U . . .
H08S H 0.043645 0.246303 0.752605 0.118 Uiso 1 1 calc R U . . .
C087 C 0.3957(6) 0.7921(7) 0.3884(5) 0.089(4) Uani 1 1 d . . . . .
H087 H 0.370777 0.787069 0.355204 0.107 Uiso 1 1 calc R U . . .
C088 C 0.3050(5) 0.9243(4) 0.4558(5) 0.068(3) Uani 1 1 d . . . . .
H088 H 0.305386 0.960768 0.438933 0.082 Uiso 1 1 calc R U . . .
C089 C -0.1641(7) 0.4454(6) 0.4420(6) 0.089(4) Uani 1 1 d . . . . .
H089 H -0.204023 0.445349 0.448122 0.107 Uiso 1 1 calc R U . . .
C08A C -0.1897(6) 0.1483(5) 0.4726(8) 0.092(5) Uani 1 1 d . . . . .
H08A H -0.209556 0.121847 0.494646 0.110 Uiso 1 1 calc R U . . .
C08B C 0.6593(5) 0.6823(4) 0.4602(5) 0.069(3) Uani 1 1 d . . . . .
H08B H 0.668666 0.716343 0.441512 0.083 Uiso 1 1 calc R U . . .
C08C C 0.6971(6) 0.8680(5) 0.4786(7) 0.088(4) Uani 1 1 d . . . . .
H08C H 0.733370 0.877672 0.464999 0.105 Uiso 1 1 calc R U . . .
C08D C -0.0999(7) 0.2682(6) 0.3658(7) 0.094(4) Uani 1 1 d . . . . .
C08E C 0.6508(7) 0.8561(6) 0.4397(6) 0.093(4) Uani 1 1 d . . . . .
H08E H 0.655733 0.856328 0.399842 0.111 Uiso 1 1 calc R U . . .
C08F C 0.4092(6) 0.7455(6) 0.4233(7) 0.097(4) Uani 1 1 d . . . . .
H08F H 0.392605 0.709507 0.415533 0.116 Uiso 1 1 calc R U . . .
C08G C 0.0147(8) 0.6156(7) 0.7386(7) 0.111(5) Uani 1 1 d . . . . .
H08 H 0.045228 0.600059 0.716356 0.167 Uiso 1 1 calc R U . . .
H H 0.030026 0.623156 0.777665 0.167 Uiso 1 1 calc R U . . .
HA H 0.000298 0.650829 0.721050 0.167 Uiso 1 1 calc R U . . .
C08H C 0.7079(6) 0.3323(6) 0.7835(7) 0.092(4) Uani 1 1 d . . . . .
H08H H 0.748193 0.333569 0.778956 0.110 Uiso 1 1 calc R U . . .
C08I C 0.6907(6) 0.8660(5) 0.5372(8) 0.092(4) Uani 1 1 d . . . . .
H08I H 0.722401 0.874092 0.563357 0.110 Uiso 1 1 calc R U . . .
C08J C -0.1590(6) 0.3879(5) 0.7197(6) 0.097(5) Uani 1 1 d . . . . .
H08J H -0.181366 0.400450 0.749749 0.117 Uiso 1 1 calc R U . . .
C08K C 0.3329(8) 0.6261(5) 0.7662(5) 0.089(4) Uani 1 1 d . . . . .
H08K H 0.314979 0.600822 0.791031 0.106 Uiso 1 1 calc R U . . .
C08L C 0.5959(5) 0.8434(5) 0.4610(5) 0.074(3) Uani 1 1 d . . . . .
H08L H 0.564046 0.835555 0.434850 0.089 Uiso 1 1 calc R U . . .
C08M C 0.1394(6) 0.3233(6) 0.3007(5) 0.087(4) Uani 1 1 d . . . . .
H08M H 0.160127 0.349418 0.279151 0.104 Uiso 1 1 calc R U . . .
C08N C 0.1602(6) 0.5525(5) 0.8099(6) 0.083(4) Uani 1 1 d . . . . .
H08N H 0.177417 0.522082 0.790719 0.099 Uiso 1 1 calc R U . . .
C08O C 0.4839(6) 0.8605(4) 0.8034(5) 0.074(3) Uani 1 1 d . . . . .
H08O H 0.518276 0.863906 0.827065 0.089 Uiso 1 1 calc R U . . .
C08P C 0.1340(6) 0.1632(4) 0.6073(6) 0.076(4) Uani 1 1 d . . . . .
H08P H 0.158161 0.133837 0.622552 0.091 Uiso 1 1 calc R U . . .
C08Q C 0.2641(6) 0.8840(5) 0.4351(6) 0.080(4) Uani 1 1 d . . . . .
H08Q H 0.237714 0.893641 0.404137 0.096 Uiso 1 1 calc R U . . .
C08R C -0.1723(7) 0.1906(6) 0.3797(8) 0.100(5) Uani 1 1 d . . . . .
H08R H -0.181002 0.191984 0.339704 0.120 Uiso 1 1 calc R U . . .
C08S C -0.0144(7) 0.5214(6) 0.7698(8) 0.113(6) Uani 1 1 d . . . . .
H1 H 0.014913 0.502524 0.748323 0.170 Uiso 1 1 calc R U . . .
HB H -0.047515 0.496246 0.772669 0.170 Uiso 1 1 calc R U . . .
HC H 0.001935 0.530675 0.808130 0.170 Uiso 1 1 calc R U . . .
C08T C -0.0675(6) 0.0673(5) 0.4151(7) 0.089(4) Uani 1 1 d . . . . .
H08T H -0.067858 0.039636 0.383999 0.134 Uiso 1 1 calc R U . . .
H08Z H -0.075697 0.105011 0.399240 0.134 Uiso 1 1 calc R U . . .
HD H -0.096870 0.057248 0.441411 0.134 Uiso 1 1 calc R U . . .
C08U C 0.4181(5) 0.8462(6) 0.4012(5) 0.071(3) Uani 1 1 d . . . . .
H08U H 0.408936 0.877207 0.376590 0.086 Uiso 1 1 calc R U . . .
C08V C 0.4899(6) 0.1468(4) 0.6269(5) 0.072(3) Uani 1 1 d . . . . .
H08V H 0.475043 0.140999 0.588830 0.086 Uiso 1 1 calc R U . . .
C08W C 0.3032(7) 0.6747(5) 0.7454(6) 0.090(4) Uani 1 1 d . . . . .
H08W H 0.264318 0.680571 0.753998 0.107 Uiso 1 1 calc R U . . .
C08X C 0.1441(6) 0.3692(4) 1.0438(6) 0.086(4) Uani 1 1 d . . . . .
H08X H 0.155477 0.337977 1.021814 0.104 Uiso 1 1 calc R U . . .
C08Y C 0.4438(7) 0.5100(5) 0.5202(6) 0.088(4) Uani 1 1 d . . . . .
H08Y H 0.446060 0.471986 0.507514 0.106 Uiso 1 1 calc R U . . .
C08Z C 0.0126(8) 0.8315(7) 0.9809(9) 0.137(8) Uani 1 1 d . . . . .
H2 H -0.023295 0.825652 0.957476 0.205 Uiso 1 1 calc R U . . .
HE H 0.009595 0.866223 1.003269 0.205 Uiso 1 1 calc R U . . .
HF H 0.019122 0.799281 1.006764 0.205 Uiso 1 1 calc R U . . .
C090 C 0.6402(7) 0.3811(5) 1.0412(6) 0.088(4) Uani 1 1 d . . . . .
H090 H 0.648453 0.407188 1.071316 0.106 Uiso 1 1 calc R U . . .
C091 C 0.0076(8) 0.3713(6) 0.8048(8) 0.126(6) Uani 1 1 d . . . . .
H09A H -0.026000 0.376358 0.777957 0.189 Uiso 1 1 calc R U . . .
H09B H 0.028605 0.407152 0.809020 0.189 Uiso 1 1 calc R U . . .
H09C H -0.005181 0.359504 0.841927 0.189 Uiso 1 1 calc R U . . .
C092 C 0.1561(7) 0.3690(5) 1.1038(6) 0.095(5) Uani 1 1 d . . . . .
H092 H 0.176840 0.338486 1.121510 0.114 Uiso 1 1 calc R U . . .
C093 C 0.1171(10) 0.8505(9) 0.9783(9) 0.155(8) Uani 1 1 d . . . . .
H09M H 0.148686 0.846745 0.952791 0.232 Uiso 1 1 calc R U . . .
H09N H 0.123430 0.824419 1.010504 0.232 Uiso 1 1 calc R U . . .
H09O H 0.115919 0.889396 0.992581 0.232 Uiso 1 1 calc R U . . .
C094 C 0.6845(8) 0.3591(6) 1.0093(8) 0.108(6) Uani 1 1 d . . . . .
H094 H 0.722897 0.371479 1.017570 0.130 Uiso 1 1 calc R U . . .
C095 C -0.2008(6) 0.1524(7) 0.4124(11) 0.120(8) Uani 1 1 d . . . . .
H095 H -0.228769 0.128140 0.394157 0.145 Uiso 1 1 calc R U . . .
C096 C -0.0126(9) 0.0827(6) 0.5083(7) 0.118(6) Uani 1 1 d . . . . .
H09D H -0.029565 0.120364 0.511591 0.177 Uiso 1 1 calc R U . . .
H09E H 0.026386 0.082581 0.526693 0.177 Uiso 1 1 calc R U . . .
H09F H -0.036375 0.054919 0.527072 0.177 Uiso 1 1 calc R U . . .
C097 C -0.0198(13) 0.3932(7) 0.2848(8) 0.190(14) Uani 1 1 d . . . . .
H09G H -0.004534 0.423004 0.261020 0.285 Uiso 1 1 calc R U . . .
H09H H 0.011761 0.376339 0.308646 0.285 Uiso 1 1 calc R U . . .
H09I H -0.048255 0.409354 0.309172 0.285 Uiso 1 1 calc R U . . .
C098 C -0.0057(9) 0.3092(8) 0.2224(9) 0.146(7) Uani 1 1 d . U . . .
H09J H 0.017666 0.329748 0.195928 0.219 Uiso 1 1 calc R U . . .
H09K H -0.027441 0.279316 0.201804 0.219 Uiso 1 1 calc R U . . .
H09L H 0.019568 0.292330 0.252772 0.219 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag01 P004 2.5509(19) . ?
Ag01 P005 2.5578(18) . ?
Ag01 P006 2.5385(19) . ?
Ag01 P009 2.580(2) . ?
Ag02 P003 2.626(2) . ?
Ag02 P007 2.531(2) . ?
Ag02 P008 2.6086(19) . ?
Ag02 P00A 2.532(2) . ?
P003 C02L 1.816(7) . ?
P003 C02S 1.835(9) . ?
P003 C03N 1.836(8) . ?
P004 C01O 1.826(8) . ?
P004 C02F 1.833(9) . ?
P004 C04I 1.814(7) . ?
P005 C01H 1.817(8) . ?
P005 C03G 1.828(9) . ?
P005 C03K 1.840(8) . ?
P006 C01A 1.836(8) . ?
P006 C04A 1.819(9) . ?
P006 C05A 1.833(9) . ?
P007 C01B 1.829(8) . ?
P007 C01Q 1.825(7) . ?
P007 C025 1.821(9) . ?
P008 C01G 1.847(8) . ?
P008 C01Z 1.822(8) . ?
P008 C02B 1.830(9) . ?
P009 C02E 1.833(8) . ?
P009 C03R 1.827(8) . ?
P009 C05S 1.830(8) . ?
P00A C01V 1.818(8) . ?
P00A C02D 1.824(9) . ?
P00A C03H 1.819(9) . ?
Al0B Al0D 2.928(3) . ?
Al0B O00K 1.894(6) . ?
Al0B O00L 1.908(6) . ?
Al0B O00M 1.930(5) . ?
Al0B O00P 1.842(6) . ?
Al0B O00S 1.830(6) . ?
Al0B O00W 1.895(6) . ?
Al0C O00J 1.892(5) . ?
Al0C O00L 1.980(6) . ?
Al0C O00N 1.806(5) . ?
Al0C O00Y 1.741(6) . ?
Al0C O019 1.846(6) . ?
Al0D O00J 1.919(5) . ?
Al0D O00K 1.876(6) . ?
Al0D O00R 1.849(6) . ?
Al0D O00U 1.913(6) . ?
Al0D O00W 1.871(6) . ?
Al0D O00X 1.856(6) . ?
Al0E Al0G 2.928(4) . ?
Al0E O00O 1.921(6) . ?
Al0E O00Q 1.898(7) . ?
Al0E O00T 1.841(6) . ?
Al0E O00V 1.829(6) . ?
Al0E O011 1.889(6) . ?
Al0E O014 1.886(6) . ?
Al0F O00M 1.938(5) . ?
Al0F O00U 1.926(7) . ?
Al0F O00Z 1.749(7) . ?
Al0F O012 1.846(6) . ?
Al0F O017 1.807(7) . ?
Al0G O010 1.913(8) . ?
Al0G O011 1.878(6) . ?
Al0G O013 1.930(7) . ?
Al0G O014 1.869(6) . ?
Al0G O018 1.835(6) . ?
Al0G O01J 1.824(7) . ?
Al0H O00O 1.940(6) . ?
Al0H O010 1.936(8) . ?
Al0H O016 1.736(8) . ?
Al0H O01E 1.839(7) . ?
Al0H O01N 1.800(9) . ?
Al0I O00Q 1.957(7) . ?
Al0I O013 1.918(6) . ?
Al0I O01L 1.723(9) . ?
Al0I O020 1.800(9) . ?
Al0I O028 1.844(9) . ?
O00J C02P 1.373(10) . ?
O00K C01W 1.379(10) . ?
O00L C01P 1.358(9) . ?
O00M C04X 1.331(11) . ?
O00N C01U 1.354(9) . ?
O00O C035 1.347(11) . ?
O00P C02U 1.263(11) . ?
O00Q C04V 1.369(11) . ?
O00R C04C 1.292(11) . ?
O00S C048 1.287(10) . ?
O00T C05K 1.281(11) . ?
O00U C05D 1.371(9) . ?
O00V C050 1.292(10) . ?
O00W C01M 1.361(10) . ?
O00X C03Q 1.262(10) . ?
O00Y C02O 1.345(10) . ?
O00Z C024 1.320(11) . ?
O010 C070 1.357(11) . ?
O011 C053 1.371(10) . ?
O012 C059 1.312(11) . ?
O013 C072 1.379(12) . ?
O014 C02Y 1.382(11) . ?
O015 C02U 1.251(10) . ?
O016 C04L 1.352(12) . ?
O017 C03A 1.329(12) . ?
O018 C05U 1.282(13) . ?
O019 C03W 1.350(9) . ?
C01A C01K 1.387(12) . ?
C01A C02K 1.429(11) . ?
C01B C033 1.375(12) . ?
C01B C04R 1.397(13) . ?
O01C C050 1.248(11) . ?
O01D C048 1.254(11) . ?
O01E C06K 1.355(15) . ?
O01F C05U 1.272(11) . ?
C01G C02R 1.380(11) . ?
C01G C03Y 1.433(12) . ?
C01H C02C 1.400(11) . ?
C01H C03X 1.415(12) . ?
C01I C023 1.437(13) . ?
C01I C02Q 1.446(10) . ?
C01I C02T 1.420(13) . ?
O01J C08D 1.290(16) . ?
C01K C02Z 1.442(11) . ?
C01K C031 1.514(11) . ?
O01L C07O 1.357(15) . ?
C01M C024 1.412(11) . ?
C01M C02J 1.383(13) . ?
O01N C05F 1.338(12) . ?
C01O C03J 1.375(12) . ?
C01O C04K 1.387(12) . ?
C01P C01U 1.395(11) . ?
C01P C02G 1.408(11) . ?
C01Q C02Q 1.372(11) . ?
C01Q C032 1.446(11) . ?
O01R C04C 1.263(10) . ?
C01S C021 1.399(13) . ?
C01S C02V 1.412(13) . ?
C01S C05E 1.433(12) . ?
C01T C02Q 1.502(11) . ?
C01T C03F 1.436(11) . ?
C01T C03N 1.394(11) . ?
C01U C03P 1.372(11) . ?
C01V C037 1.417(12) . ?
C01V C04E 1.399(12) . ?
C01W C02O 1.406(11) . ?
C01W C04U 1.370(12) . ?
C01X C027 1.417(11) . ?
C01X C02N 1.423(12) . ?
C01X C03F 1.415(11) . ?
O01Y C05K 1.238(10) . ?
C01Z C05H 1.383(12) . ?
C01Z C06F 1.387(13) . ?
O020 C05J 1.327(13) . ?
C021 C02C 1.456(11) . ?
C021 C03D 1.416(12) . ?
C023 H023 0.9300 . ?
C023 C05G 1.388(12) . ?
C024 C03E 1.394(13) . ?
C025 C044 1.380(12) . ?
C025 C051 1.383(12) . ?
C026 H026 0.9300 . ?
C026 C02F 1.416(11) . ?
C026 C02H 1.327(13) . ?
C027 H027 0.9300 . ?
C027 C030 1.375(12) . ?
O028 C07F 1.331(13) . ?
C029 C02C 1.496(11) . ?
C029 C02F 1.388(10) . ?
C029 C04Y 1.437(12) . ?
O02A C03Q 1.252(11) . ?
C02B C04N 1.385(12) . ?
C02B C06Y 1.404(11) . ?
C02D C042 1.379(15) . ?
C02D C085 1.383(14) . ?
C02E C03S 1.390(13) . ?
C02E C04B 1.378(14) . ?
C02G C048 1.488(13) . ?
C02G C04F 1.399(12) . ?
C02H H02H 0.9300 . ?
C02H C04Q 1.421(12) . ?
C02I H02I 0.9300 . ?
C02I C03O 1.369(15) . ?
C02I C052 1.353(14) . ?
C02J H02J 0.9300 . ?
C02J C054 1.384(13) . ?
C02K H02K 0.9300 . ?
C02K C041 1.364(14) . ?
C02L C03T 1.386(12) . ?
C02L C061 1.394(12) . ?
C02M C03C 1.394(13) . ?
C02M C04H 1.407(13) . ?
C02M C05P 1.438(13) . ?
C02N H02N 0.9300 . ?
C02N C04J 1.365(13) . ?
C02O C04T 1.391(12) . ?
C02P C03W 1.402(11) . ?
C02P C04O 1.385(10) . ?
C02R C03C 1.425(11) . ?
C02R C04E 1.473(12) . ?
C02S C036 1.386(12) . ?
C02S C06N 1.389(13) . ?
C02T C03Z 1.408(13) . ?
C02T C05X 1.435(12) . ?
C02U C06R 1.489(13) . ?
C02V H02V 0.9300 . ?
C02V C03X 1.384(12) . ?
N02W H02A 0.8900 . ?
N02W H02B 0.8900 . ?
N02W C086 1.446(14) . ?
N02W C091 1.477(14) . ?
C02X H02X 0.9300 . ?
C02X C03V 1.387(12) . ?
C02X C03W 1.376(12) . ?
C02Y C04S 1.365(16) . ?
C02Y C07O 1.383(15) . ?
C02Z C04W 1.406(13) . ?
C02Z C062 1.437(14) . ?
C030 H030 0.9300 . ?
C030 C03N 1.400(11) . ?
C031 C03R 1.390(10) . ?
C031 C05I 1.418(11) . ?
C032 H032 0.9300 . ?
C032 C03Z 1.350(12) . ?
C033 H033 0.9300 . ?
C033 C03B 1.379(15) . ?
C034 H034 0.9300 . ?
C034 C03R 1.449(11) . ?
C034 C071 1.341(12) . ?
C035 C05C 1.400(12) . ?
C035 C05F 1.389(13) . ?
C036 H036 0.9300 . ?
C036 C03L 1.387(12) . ?
C037 H037 0.9300 . ?
C037 C056 1.358(12) . ?
C038 H038 0.9300 . ?
C038 C03K 1.370(13) . ?
C038 C07Y 1.365(15) . ?
N039 H039 0.8602 . ?
N039 C08Z 1.388(18) . ?
N039 C093 1.52(2) . ?
C03A C04X 1.411(12) . ?
C03A C08N 1.387(16) . ?
C03B H03B 0.9300 . ?
C03B C06P 1.404(18) . ?
C03C C06O 1.448(14) . ?
C03D H03D 0.9300 . ?
C03D C03M 1.362(13) . ?
C03E H03E 0.9300 . ?
C03E C06I 1.370(14) . ?
C03F C040 1.429(11) . ?
C03G C03I 1.390(12) . ?
C03G C04G 1.388(12) . ?
C03H C063 1.373(13) . ?
C03H C06V 1.399(14) . ?
C03I H03I 0.9300 . ?
C03I C06X 1.358(15) . ?
C03J H03J 0.9300 . ?
C03J C052 1.376(12) . ?
C03K C07W 1.388(11) . ?
C03L H03L 0.9300 . ?
C03L C06G 1.353(14) . ?
C03M H03M 0.9300 . ?
C03M C06Q 1.406(16) . ?
C03O H03O 0.9300 . ?
C03O C04K 1.394(13) . ?
C03P H03P 0.9300 . ?
C03P C043 1.410(12) . ?
C03Q C06E 1.456(13) . ?
C03S H03S 0.9300 . ?
C03S C07R 1.381(17) . ?
C03T H03T 0.9300 . ?
C03T C07L 1.406(12) . ?
C03U C045 1.423(13) . ?
C03U C04E 1.455(11) . ?
C03U C04M 1.416(14) . ?
C03V H03V 0.9300 . ?
C03V C078 1.380(14) . ?
C03X H03X 0.9300 . ?
C03Y H03Y 0.9300 . ?
C03Y C04H 1.358(12) . ?
C03Z H03Z 0.9300 . ?
C040 H040 0.9300 . ?
C040 C04D 1.347(12) . ?
C041 H041 0.9300 . ?
C041 C04W 1.373(15) . ?
C042 H042 0.9300 . ?
C042 C076 1.412(15) . ?
C043 H043 0.9300 . ?
C043 C04F 1.377(13) . ?
C044 H044 0.9300 . ?
C044 C064 1.403(14) . ?
C045 H045 0.9300 . ?
C045 C07H 1.354(14) . ?
C046 H046 0.9300 . ?
C046 C04Y 1.412(11) . ?
C046 C05L 1.362(15) . ?
C047 H047 0.9300 . ?
C047 C07L 1.346(18) . ?
C047 C07S 1.351(19) . ?
C049 H049 0.9300 . ?
C049 C04W 1.422(14) . ?
C049 C055 1.312(18) . ?
C04A C05W 1.375(12) . ?
C04A C06T 1.381(12) . ?
C04B H04B 0.9300 . ?
C04B C08W 1.357(15) . ?
C04C C04O 1.473(12) . ?
C04D H04D 0.9300 . ?
C04D C04J 1.385(13) . ?
C04F H04F 0.9300 . ?
C04G H04G 0.9300 . ?
C04G C08B 1.372(15) . ?
C04H H04H 0.9300 . ?
C04I C05O 1.377(12) . ?
C04I C07K 1.397(13) . ?
C04J H04J 0.9300 . ?
C04K H04K 0.9300 . ?
C04L C053 1.401(14) . ?
C04L C073 1.405(13) . ?
C04M C056 1.408(15) . ?
C04M C083 1.425(13) . ?
C04N H04N 0.9300 . ?
C04N C06C 1.386(14) . ?
C04O C078 1.405(13) . ?
C04P H04P 0.9300 . ?
C04P C079 1.359(19) . ?
C04P C07K 1.389(13) . ?
C04Q C04Y 1.416(13) . ?
C04Q C05Y 1.433(14) . ?
C04R H04R 0.9300 . ?
C04R C07Q 1.387(13) . ?
C04S H04S 0.9300 . ?
C04S C089 1.390(15) . ?
C04T H04T 0.9300 . ?
C04T C05V 1.376(14) . ?
C04U H04U 0.9300 . ?
C04U C06U 1.382(14) . ?
C04V C05J 1.406(14) . ?
C04V C077 1.382(13) . ?
C04X C06R 1.414(12) . ?
N04Z H04A 0.8900 . ?
N04Z H04C 0.8900 . ?
N04Z C08T 1.453(15) . ?
N04Z C096 1.480(17) . ?
C050 C077 1.454(14) . ?
C051 H051 0.9300 . ?
C051 C08V 1.355(14) . ?
C052 H052 0.9300 . ?
C053 C058 1.372(13) . ?
C054 H054 0.9300 . ?
C054 C06I 1.395(15) . ?
C055 H055 0.9300 . ?
C055 C06Z 1.418(17) . ?
C056 H056 0.9300 . ?
C057 C05I 1.416(12) . ?
C057 C065 1.405(13) . ?
C057 C071 1.414(12) . ?
C058 H058 0.9300 . ?
C058 C07B 1.411(14) . ?
C059 C05D 1.429(12) . ?
C059 C08X 1.366(13) . ?
C05A C06B 1.377(14) . ?
C05A C08L 1.387(14) . ?
N05B H05A 0.8900 . ?
N05B H05B 0.8900 . ?
N05B C08G 1.453(18) . ?
N05B C08S 1.455(17) . ?
C05C C05K 1.510(13) . ?
C05C C05R 1.363(14) . ?
C05D C06E 1.381(13) . ?
C05E H05E 0.9300 . ?
C05E C06Q 1.330(15) . ?
C05F C07N 1.391(16) . ?
C05G H05G 0.9300 . ?
C05G C05N 1.386(16) . ?
C05H H05H 0.9300 . ?
C05H C074 1.397(13) . ?
C05I C06M 1.429(11) . ?
C05J C07J 1.362(15) . ?
C05L H05L 0.9300 . ?
C05L C06A 1.388(16) . ?
C05N H05N 0.9300 . ?
C05N C05X 1.338(15) . ?
C05O H05O 0.9300 . ?
C05O C05T 1.372(13) . ?
C05P H05P 0.9300 . ?
C05P C07A 1.379(18) . ?
C05Q H05Q 0.9300 . ?
C05Q C06C 1.390(15) . ?
C05Q C07V 1.352(16) . ?
C05R H05R 0.9300 . ?
C05R C08J 1.377(15) . ?
C05S C075 1.366(14) . ?
C05S C07C 1.374(14) . ?
C05T H05T 0.9300 . ?
C05T C079 1.375(18) . ?
C05U C06J 1.468(16) . ?
C05V H05V 0.9300 . ?
C05V C06U 1.392(16) . ?
C05W H05W 0.9300 . ?
C05W C08F 1.408(16) . ?
C05X H05X 0.9300 . ?
C05Y H05Y 0.9300 . ?
C05Y C06A 1.362(14) . ?
C05Z H05Z 0.9300 . ?
C05Z C06X 1.371(17) . ?
C05Z C08B 1.371(16) . ?
C060 H060 0.9300 . ?
C060 C06S 1.401(17) . ?
C060 C074 1.351(17) . ?
C061 H061 0.9300 . ?
C061 C07S 1.395(14) . ?
C062 H062 0.9300 . ?
C062 C06Z 1.373(13) . ?
C063 H063 0.9300 . ?
C063 C07D 1.407(14) . ?
C064 H064 0.9300 . ?
C064 C07X 1.376(17) . ?
C065 H065 0.9300 . ?
C065 C08Q 1.374(14) . ?
C066 H066 0.9300 . ?
C066 C06G 1.379(14) . ?
C066 C06N 1.418(13) . ?
C067 H067 0.9300 . ?
C067 C077 1.420(13) . ?
C067 C07P 1.368(18) . ?
C068 H068 0.9300 . ?
C068 C07D 1.342(17) . ?
C068 C08H 1.386(18) . ?
C069 H069 0.9300 . ?
C069 C06H 1.383(16) . ?
C069 C075 1.410(14) . ?
C06A H06A 0.9300 . ?
C06B H06B 0.9300 . ?
C06B C08I 1.358(17) . ?
C06C H06C 0.9300 . ?
C06D H06D 0.9300 . ?
C06D C06O 1.371(14) . ?
C06D C07A 1.377(18) . ?
C06E C084 1.394(12) . ?
C06F H06F 0.9300 . ?
C06F C06S 1.391(14) . ?
C06G H06G 0.9300 . ?
C06H H06H 0.9300 . ?
C06H C08O 1.388(18) . ?
C06I H06I 0.9300 . ?
C06J C072 1.372(14) . ?
C06J C082 1.399(15) . ?
C06K C070 1.408(18) . ?
C06K C08A 1.379(15) . ?
N06L H06E 0.8900 . ?
N06L H06J 0.8900 . ?
N06L C097 1.43(2) . ?
N06L C098 1.48(2) . ?
C06M H06M 0.9300 . ?
C06M C088 1.361(13) . ?
C06N H06N 0.9300 . ?
C06O H06O 0.9300 . ?
C06P H06P 0.9300 . ?
C06P C07Q 1.356(17) . ?
C06Q H06Q 0.9300 . ?
C06R C06W 1.400(15) . ?
C06S H06S 0.9300 . ?
C06T H06T 0.9300 . ?
C06T C08U 1.334(15) . ?
C06U H06U 0.9300 . ?
C06V H06V 0.9300 . ?
C06V C08H 1.360(17) . ?
C06W H06W 0.9300 . ?
C06W C07T 1.351(16) . ?
C06X H06X 0.9300 . ?
C06Y H06Y 0.9300 . ?
C06Y C07V 1.378(15) . ?
C06Z H06Z 0.9300 . ?
C070 C07M 1.374(17) . ?
C071 H071 0.9300 . ?
C072 C07F 1.414(16) . ?
C073 H073 0.9300 . ?
C073 C08P 1.378(17) . ?
C074 H074 0.9300 . ?
C075 H075 0.9300 . ?
C076 H076 0.9300 . ?
C076 C090 1.291(19) . ?
C078 H078 0.9300 . ?
C079 H079 0.9300 . ?
C07A H07A 0.9300 . ?
C07B H07B 0.9300 . ?
C07B C08P 1.354(19) . ?
C07C H07C 0.9300 . ?
C07C C08O 1.403(14) . ?
C07D H07D 0.9300 . ?
C07E H07E 0.9300 . ?
C07E C07Y 1.338(16) . ?
C07E C08Y 1.375(18) . ?
C07F C08M 1.363(16) . ?
C07G H07G 0.9300 . ?
C07G C07I 1.37(2) . ?
C07G C07O 1.399(16) . ?
C07H H07H 0.9300 . ?
C07H C081 1.402(19) . ?
C07I H07I 0.9300 . ?
C07I C089 1.36(2) . ?
C07J H07J 0.9300 . ?
C07J C07P 1.396(18) . ?
C07K H07K 0.9300 . ?
C07L H07L 0.9300 . ?
C07M C08D 1.50(2) . ?
C07M C08R 1.375(17) . ?
C07N H07N 0.9300 . ?
C07N C08J 1.382(16) . ?
C07P H07P 0.9300 . ?
C07Q H07Q 0.9300 . ?
C07R H07R 0.9300 . ?
C07R C08K 1.38(2) . ?
C07S H07S 0.9300 . ?
C07T H07T 0.9300 . ?
C07T C08N 1.399(16) . ?
C07V H07V 0.9300 . ?
C07W H07W 0.9300 . ?
C07W C08Y 1.403(15) . ?
C07X H07X 0.9300 . ?
C07X C08V 1.371(17) . ?
C07Y H07Y 0.9300 . ?
C07Z C08D 1.264(18) . ?
C080 H080 0.9300 . ?
C080 C082 1.319(17) . ?
C080 C08M 1.430(17) . ?
C081 H081 0.9300 . ?
C081 C083 1.336(18) . ?
C082 H082 0.9300 . ?
C083 H083 0.9300 . ?
C084 H084 0.9300 . ?
C084 C092 1.376(16) . ?
C085 H085 0.9300 . ?
C085 C094 1.392(18) . ?
C086 H08D 0.9600 . ?
C086 H08G 0.9600 . ?
C086 H08S 0.9600 . ?
C087 H087 0.9300 . ?
C087 C08F 1.37(2) . ?
C087 C08U 1.379(18) . ?
C088 H088 0.9300 . ?
C088 C08Q 1.382(15) . ?
C089 H089 0.9300 . ?
C08A H08A 0.9300 . ?
C08A C095 1.40(3) . ?
C08B H08B 0.9300 . ?
C08C H08C 0.9300 . ?
C08C C08E 1.369(19) . ?
C08C C08I 1.36(2) . ?
C08E H08E 0.9300 . ?
C08E C08L 1.404(18) . ?
C08F H08F 0.9300 . ?
C08G H08 0.9600 . ?
C08G H 0.9600 . ?
C08G HA 0.9600 . ?
C08H H08H 0.9300 . ?
C08I H08I 0.9300 . ?
C08J H08J 0.9300 . ?
C08K H08K 0.9300 . ?
C08K C08W 1.38(2) . ?
C08L H08L 0.9300 . ?
C08M H08M 0.9300 . ?
C08N H08N 0.9300 . ?
C08O H08O 0.9300 . ?
C08P H08P 0.9300 . ?
C08Q H08Q 0.9300 . ?
C08R H08R 0.9300 . ?
C08R C095 1.35(3) . ?
C08S H1 0.9600 . ?
C08S HB 0.9600 . ?
C08S HC 0.9600 . ?
C08T H08T 0.9600 . ?
C08T H08Z 0.9600 . ?
C08T HD 0.9600 . ?
C08U H08U 0.9300 . ?
C08V H08V 0.9300 . ?
C08W H08W 0.9300 . ?
C08X H08X 0.9300 . ?
C08X C092 1.389(17) . ?
C08Y H08Y 0.9300 . ?
C08Z H2 0.9600 . ?
C08Z HE 0.9600 . ?
C08Z HF 0.9600 . ?
C090 H090 0.9300 . ?
C090 C094 1.38(2) . ?
C091 H09A 0.9600 . ?
C091 H09B 0.9600 . ?
C091 H09C 0.9600 . ?
C092 H092 0.9300 . ?
C093 H09M 0.9600 . ?
C093 H09N 0.9600 . ?
C093 H09O 0.9600 . ?
C094 H094 0.9300 . ?
C095 H095 0.9300 . ?
C096 H09D 0.9600 . ?
C096 H09E 0.9600 . ?
C096 H09F 0.9600 . ?
C097 H09G 0.9600 . ?
C097 H09H 0.9600 . ?
C097 H09I 0.9600 . ?
C098 H09J 0.9600 . ?
C098 H09K 0.9600 . ?
C098 H09L 0.9600 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P004 Ag01 P005 89.87(6) . . ?
P004 Ag01 P009 120.85(7) . . ?
P005 Ag01 P009 121.78(7) . . ?
P006 Ag01 P004 117.80(7) . . ?
P006 Ag01 P005 118.41(7) . . ?
P006 Ag01 P009 91.03(7) . . ?
P007 Ag02 P003 90.96(6) . . ?
P007 Ag02 P008 119.60(6) . . ?
P007 Ag02 P00A 118.98(7) . . ?
P008 Ag02 P003 121.31(7) . . ?
P00A Ag02 P003 119.74(7) . . ?
P00A Ag02 P008 89.31(7) . . ?
C02L P003 Ag02 120.7(3) . . ?
C02L P003 C02S 100.7(3) . . ?
C02L P003 C03N 105.1(3) . . ?
C02S P003 Ag02 117.7(3) . . ?
C02S P003 C03N 102.9(4) . . ?
C03N P003 Ag02 107.8(2) . . ?
C01O P004 Ag01 114.2(3) . . ?
C01O P004 C02F 106.8(4) . . ?
C02F P004 Ag01 108.4(3) . . ?
C04I P004 Ag01 118.9(3) . . ?
C04I P004 C01O 102.2(4) . . ?
C04I P004 C02F 105.5(4) . . ?
C01H P005 Ag01 110.6(2) . . ?
C01H P005 C03G 106.3(4) . . ?
C01H P005 C03K 104.2(4) . . ?
C03G P005 Ag01 116.5(2) . . ?
C03G P005 C03K 104.1(4) . . ?
C03K P005 Ag01 114.1(3) . . ?
C01A P006 Ag01 107.3(3) . . ?
C04A P006 Ag01 119.6(3) . . ?
C04A P006 C01A 104.2(4) . . ?
C04A P006 C05A 102.4(4) . . ?
C05A P006 Ag01 115.0(3) . . ?
C05A P006 C01A 107.3(4) . . ?
C01B P007 Ag02 115.2(3) . . ?
C01Q P007 Ag02 108.1(2) . . ?
C01Q P007 C01B 108.0(4) . . ?
C025 P007 Ag02 117.8(3) . . ?
C025 P007 C01B 101.9(4) . . ?
C025 P007 C01Q 105.1(4) . . ?
C01G P008 Ag02 105.7(2) . . ?
C01Z P008 Ag02 122.2(3) . . ?
C01Z P008 C01G 106.0(4) . . ?
C01Z P008 C02B 101.0(4) . . ?
C02B P008 Ag02 113.7(3) . . ?
C02B P008 C01G 107.3(4) . . ?
C02E P009 Ag01 119.9(3) . . ?
C03R P009 Ag01 110.0(3) . . ?
C03R P009 C02E 104.8(4) . . ?
C03R P009 C05S 106.5(4) . . ?
C05S P009 Ag01 115.6(3) . . ?
C05S P009 C02E 98.6(4) . . ?
C01V P00A Ag02 111.4(3) . . ?
C01V P00A C02D 108.6(4) . . ?
C01V P00A C03H 104.0(4) . . ?
C02D P00A Ag02 115.0(3) . . ?
C03H P00A Ag02 116.9(3) . . ?
C03H P00A C02D 99.8(4) . . ?
O00K Al0B Al0D 38.83(17) . . ?
O00K Al0B O00L 84.6(2) . . ?
O00K Al0B O00M 89.6(3) . . ?
O00K Al0B O00W 77.5(2) . . ?
O00L Al0B Al0D 86.21(18) . . ?
O00L Al0B O00M 171.3(3) . . ?
O00M Al0B Al0D 85.17(19) . . ?
O00P Al0B Al0D 132.3(2) . . ?
O00P Al0B O00K 93.7(3) . . ?
O00P Al0B O00L 95.1(3) . . ?
O00P Al0B O00M 91.7(3) . . ?
O00P Al0B O00W 170.3(3) . . ?
O00S Al0B Al0D 133.6(2) . . ?
O00S Al0B O00K 172.2(3) . . ?
O00S Al0B O00L 93.4(3) . . ?
O00S Al0B O00M 91.6(3) . . ?
O00S Al0B O00P 94.0(3) . . ?
O00S Al0B O00W 95.0(3) . . ?
O00W Al0B Al0D 38.66(17) . . ?
O00W Al0B O00L 88.2(3) . . ?
O00W Al0B O00M 84.2(2) . . ?
O00J Al0C O00L 90.5(2) . . ?
O00N Al0C O00J 129.4(3) . . ?
O00N Al0C O00L 82.5(2) . . ?
O00N Al0C O019 89.1(3) . . ?
O00Y Al0C O00J 117.2(3) . . ?
O00Y Al0C O00L 97.3(3) . . ?
O00Y Al0C O00N 113.4(3) . . ?
O00Y Al0C O019 98.4(3) . . ?
O019 Al0C O00J 84.5(2) . . ?
O019 Al0C O00L 164.1(3) . . ?
O00J Al0D Al0B 88.41(18) . . ?
O00K Al0D Al0B 39.26(18) . . ?
O00K Al0D O00J 84.9(2) . . ?
O00K Al0D O00U 92.4(3) . . ?
O00R Al0D Al0B 133.5(2) . . ?
O00R Al0D O00J 90.2(3) . . ?
O00R Al0D O00K 171.3(3) . . ?
O00R Al0D O00U 91.9(3) . . ?
O00R Al0D O00W 94.4(3) . . ?
O00R Al0D O00X 93.6(3) . . ?
O00U Al0D Al0B 87.24(19) . . ?
O00U Al0D O00J 175.5(3) . . ?
O00W Al0D Al0B 39.24(17) . . ?
O00W Al0D O00J 91.2(2) . . ?
O00W Al0D O00K 78.5(2) . . ?
O00W Al0D O00U 84.7(3) . . ?
O00X Al0D Al0B 132.8(2) . . ?
O00X Al0D O00J 93.2(3) . . ?
O00X Al0D O00K 93.9(3) . . ?
O00X Al0D O00U 90.6(3) . . ?
O00X Al0D O00W 170.8(3) . . ?
O00O Al0E Al0G 86.4(2) . . ?
O00Q Al0E Al0G 86.4(2) . . ?
O00Q Al0E O00O 172.8(3) . . ?
O00T Al0E Al0G 133.2(2) . . ?
O00T Al0E O00O 92.7(3) . . ?
O00T Al0E O00Q 92.5(3) . . ?
O00T Al0E O011 171.4(3) . . ?
O00T Al0E O014 94.7(3) . . ?
O00V Al0E Al0G 133.6(2) . . ?
O00V Al0E O00O 92.3(3) . . ?
O00V Al0E O00Q 92.4(3) . . ?
O00V Al0E O00T 93.2(3) . . ?
O00V Al0E O011 94.8(3) . . ?
O00V Al0E O014 171.6(3) . . ?
O011 Al0E Al0G 38.84(18) . . ?
O011 Al0E O00O 84.0(3) . . ?
O011 Al0E O00Q 90.1(3) . . ?
O014 Al0E Al0G 38.55(18) . . ?
O014 Al0E O00O 90.0(3) . . ?
O014 Al0E O00Q 84.6(3) . . ?
O014 Al0E O011 77.4(3) . . ?
O00U Al0F O00M 87.6(2) . . ?
O00Z Al0F O00M 102.8(3) . . ?
O00Z Al0F O00U 114.2(3) . . ?
O00Z Al0F O012 101.1(3) . . ?
O00Z Al0F O017 106.8(4) . . ?
O012 Al0F O00M 156.0(3) . . ?
O012 Al0F O00U 83.7(3) . . ?
O017 Al0F O00M 84.1(3) . . ?
O017 Al0F O00U 138.9(4) . . ?
O017 Al0F O012 87.8(3) . . ?
O010 Al0G Al0E 87.1(2) . . ?
O010 Al0G O013 174.5(3) . . ?
O011 Al0G Al0E 39.11(18) . . ?
O011 Al0G O010 84.8(3) . . ?
O011 Al0G O013 90.9(3) . . ?
O013 Al0G Al0E 87.3(2) . . ?
O014 Al0G Al0E 38.97(19) . . ?
O014 Al0G O010 90.4(3) . . ?
O014 Al0G O011 78.1(3) . . ?
O014 Al0G O013 85.3(3) . . ?
O018 Al0G Al0E 133.7(2) . . ?
O018 Al0G O010 92.3(3) . . ?
O018 Al0G O011 94.7(3) . . ?
O018 Al0G O013 91.5(3) . . ?
O018 Al0G O014 172.0(3) . . ?
O01J Al0G Al0E 132.5(3) . . ?
O01J Al0G O010 91.6(4) . . ?
O01J Al0G O011 170.9(4) . . ?
O01J Al0G O013 92.2(4) . . ?
O01J Al0G O014 93.6(3) . . ?
O01J Al0G O018 93.8(3) . . ?
O010 Al0H O00O 88.8(3) . . ?
O016 Al0H O00O 106.8(3) . . ?
O016 Al0H O010 109.6(4) . . ?
O016 Al0H O01E 102.3(3) . . ?
O016 Al0H O01N 106.0(4) . . ?
O01E Al0H O00O 150.8(3) . . ?
O01E Al0H O010 83.3(4) . . ?
O01N Al0H O00O 83.0(3) . . ?
O01N Al0H O010 144.3(4) . . ?
O01N Al0H O01E 87.2(4) . . ?
O013 Al0I O00Q 89.1(3) . . ?
O01L Al0I O00Q 104.7(4) . . ?
O01L Al0I O013 109.4(4) . . ?
O01L Al0I O020 107.8(4) . . ?
O01L Al0I O028 103.9(4) . . ?
O020 Al0I O00Q 83.7(3) . . ?
O020 Al0I O013 142.8(4) . . ?
O020 Al0I O028 86.2(4) . . ?
O028 Al0I O00Q 151.4(4) . . ?
O028 Al0I O013 82.9(3) . . ?
Al0C O00J Al0D 124.7(3) . . ?
C02P O00J Al0C 112.3(4) . . ?
C02P O00J Al0D 117.8(4) . . ?
Al0D O00K Al0B 101.9(3) . . ?
C01W O00K Al0B 127.1(5) . . ?
C01W O00K Al0D 130.7(5) . . ?
Al0B O00L Al0C 124.2(3) . . ?
C01P O00L Al0B 123.8(5) . . ?
C01P O00L Al0C 111.8(5) . . ?
Al0B O00M Al0F 124.0(3) . . ?
C04X O00M Al0B 121.6(5) . . ?
C04X O00M Al0F 111.8(5) . . ?
C01U O00N Al0C 116.7(5) . . ?
Al0E O00O Al0H 124.8(3) . . ?
C035 O00O Al0E 120.8(5) . . ?
C035 O00O Al0H 112.8(5) . . ?
C02U O00P Al0B 131.6(5) . . ?
Al0E O00Q Al0I 125.7(4) . . ?
C04V O00Q Al0E 122.7(6) . . ?
C04V O00Q Al0I 110.5(6) . . ?
C04C O00R Al0D 128.9(5) . . ?
C048 O00S Al0B 134.4(6) . . ?
C05K O00T Al0E 130.8(5) . . ?
Al0D O00U Al0F 124.2(3) . . ?
C05D O00U Al0D 117.5(6) . . ?
C05D O00U Al0F 112.3(5) . . ?
C050 O00V Al0E 129.4(6) . . ?
Al0D O00W Al0B 102.1(3) . . ?
C01M O00W Al0B 127.1(5) . . ?
C01M O00W Al0D 130.1(5) . . ?
C03Q O00X Al0D 127.6(6) . . ?
C02O O00Y Al0C 132.4(5) . . ?
C024 O00Z Al0F 135.2(5) . . ?
Al0G O010 Al0H 124.3(3) . . ?
C070 O010 Al0G 119.7(7) . . ?
C070 O010 Al0H 112.8(7) . . ?
Al0G O011 Al0E 102.0(3) . . ?
C053 O011 Al0E 129.5(5) . . ?
C053 O011 Al0G 127.7(5) . . ?
C059 O012 Al0F 115.7(5) . . ?
Al0I O013 Al0G 124.4(4) . . ?
C072 O013 Al0G 118.7(6) . . ?
C072 O013 Al0I 113.6(6) . . ?
Al0G O014 Al0E 102.5(3) . . ?
C02Y O014 Al0E 126.5(5) . . ?
C02Y O014 Al0G 130.7(6) . . ?
C04L O016 Al0H 134.8(6) . . ?
C03A O017 Al0F 115.2(5) . . ?
C05U O018 Al0G 129.4(7) . . ?
C03W O019 Al0C 113.7(5) . . ?
C01K C01A P006 123.4(6) . . ?
C01K C01A C02K 118.0(7) . . ?
C02K C01A P006 118.4(7) . . ?
C033 C01B P007 124.9(7) . . ?
C033 C01B C04R 118.7(8) . . ?
C04R C01B P007 116.3(7) . . ?
C06K O01E Al0H 115.5(7) . . ?
C02R C01G P008 123.3(6) . . ?
C02R C01G C03Y 119.4(8) . . ?
C03Y C01G P008 116.6(6) . . ?
C02C C01H P005 122.7(6) . . ?
C02C C01H C03X 118.9(8) . . ?
C03X C01H P005 118.1(6) . . ?
C023 C01I C02Q 121.8(8) . . ?
C02T C01I C023 118.8(7) . . ?
C02T C01I C02Q 119.3(8) . . ?
C08D O01J Al0G 132.9(9) . . ?
C01A C01K C02Z 119.4(7) . . ?
C01A C01K C031 122.4(7) . . ?
C02Z C01K C031 118.2(8) . . ?
C07O O01L Al0I 136.2(6) . . ?
O00W C01M C024 117.7(8) . . ?
O00W C01M C02J 122.2(7) . . ?
C02J C01M C024 120.1(8) . . ?
C05F O01N Al0H 115.8(6) . . ?
C03J C01O P004 117.9(6) . . ?
C03J C01O C04K 119.2(8) . . ?
C04K C01O P004 122.9(7) . . ?
O00L C01P C01U 112.9(7) . . ?
O00L C01P C02G 127.1(7) . . ?
C01U C01P C02G 120.0(7) . . ?
C02Q C01Q P007 124.4(6) . . ?
C02Q C01Q C032 118.4(7) . . ?
C032 C01Q P007 116.8(6) . . ?
C021 C01S C02V 119.2(8) . . ?
C021 C01S C05E 119.3(9) . . ?
C02V C01S C05E 121.5(9) . . ?
C03F C01T C02Q 116.5(7) . . ?
C03N C01T C02Q 123.5(7) . . ?
C03N C01T C03F 119.9(7) . . ?
O00N C01U C01P 115.1(7) . . ?
O00N C01U C03P 124.2(7) . . ?
C03P C01U C01P 120.7(8) . . ?
C037 C01V P00A 119.4(7) . . ?
C04E C01V P00A 121.1(7) . . ?
C04E C01V C037 118.9(8) . . ?
O00K C01W C02O 118.6(7) . . ?
C04U C01W O00K 122.4(7) . . ?
C04U C01W C02O 119.0(8) . . ?
C027 C01X C02N 120.7(8) . . ?
C03F C01X C027 119.6(7) . . ?
C03F C01X C02N 119.6(8) . . ?
C05H C01Z P008 122.1(7) . . ?
C05H C01Z C06F 118.7(8) . . ?
C06F C01Z P008 119.2(7) . . ?
C05J O020 Al0I 116.9(7) . . ?
C01S C021 C02C 120.2(8) . . ?
C01S C021 C03D 118.2(8) . . ?
C03D C021 C02C 121.6(8) . . ?
C01I C023 H023 120.9 . . ?
C05G C023 C01I 118.1(9) . . ?
C05G C023 H023 120.9 . . ?
O00Z C024 C01M 120.8(8) . . ?
O00Z C024 C03E 121.4(8) . . ?
C03E C024 C01M 117.8(9) . . ?
C044 C025 P007 117.7(7) . . ?
C044 C025 C051 117.2(9) . . ?
C051 C025 P007 125.0(7) . . ?
C02F C026 H026 119.1 . . ?
C02H C026 H026 119.1 . . ?
C02H C026 C02F 121.7(8) . . ?
C01X C027 H027 120.2 . . ?
C030 C027 C01X 119.6(8) . . ?
C030 C027 H027 120.2 . . ?
C07F O028 Al0I 116.4(7) . . ?
C02F C029 C02C 122.4(7) . . ?
C02F C029 C04Y 120.0(7) . . ?
C04Y C029 C02C 117.6(6) . . ?
C04N C02B P008 118.1(6) . . ?
C04N C02B C06Y 116.7(8) . . ?
C06Y C02B P008 124.9(7) . . ?
C01H C02C C021 119.4(8) . . ?
C01H C02C C029 122.5(7) . . ?
C021 C02C C029 118.1(7) . . ?
C042 C02D P00A 117.5(7) . . ?
C042 C02D C085 118.1(10) . . ?
C085 C02D P00A 124.1(9) . . ?
C03S C02E P009 118.6(8) . . ?
C04B C02E P009 121.9(6) . . ?
C04B C02E C03S 119.1(9) . . ?
C026 C02F P004 116.9(6) . . ?
C029 C02F P004 123.6(6) . . ?
C029 C02F C026 119.1(8) . . ?
C01P C02G C048 121.6(8) . . ?
C04F C02G C01P 118.6(8) . . ?
C04F C02G C048 119.8(8) . . ?
C026 C02H H02H 119.2 . . ?
C026 C02H C04Q 121.5(8) . . ?
C04Q C02H H02H 119.2 . . ?
C03O C02I H02I 120.5 . . ?
C052 C02I H02I 120.5 . . ?
C052 C02I C03O 119.0(9) . . ?
C01M C02J H02J 119.5 . . ?
C01M C02J C054 120.9(9) . . ?
C054 C02J H02J 119.5 . . ?
C01A C02K H02K 119.3 . . ?
C041 C02K C01A 121.5(9) . . ?
C041 C02K H02K 119.3 . . ?
C03T C02L P003 123.0(7) . . ?
C03T C02L C061 116.6(8) . . ?
C061 C02L P003 120.0(7) . . ?
C03C C02M C04H 119.8(8) . . ?
C03C C02M C05P 120.3(10) . . ?
C04H C02M C05P 119.9(10) . . ?
C01X C02N H02N 119.8 . . ?
C04J C02N C01X 120.4(9) . . ?
C04J C02N H02N 119.8 . . ?
O00Y C02O C01W 121.1(7) . . ?
O00Y C02O C04T 119.6(7) . . ?
C04T C02O C01W 119.3(8) . . ?
O00J C02P C03W 113.1(6) . . ?
O00J C02P C04O 125.2(7) . . ?
C04O C02P C03W 121.7(8) . . ?
C01I C02Q C01T 117.6(7) . . ?
C01Q C02Q C01I 120.3(7) . . ?
C01Q C02Q C01T 121.6(6) . . ?
C01G C02R C03C 119.6(8) . . ?
C01G C02R C04E 121.4(7) . . ?
C03C C02R C04E 118.9(8) . . ?
C036 C02S P003 118.4(6) . . ?
C036 C02S C06N 118.3(8) . . ?
C06N C02S P003 123.3(6) . . ?
C01I C02T C05X 118.8(9) . . ?
C03Z C02T C01I 119.2(7) . . ?
C03Z C02T C05X 121.9(9) . . ?
O00P C02U C06R 120.9(7) . . ?
O015 C02U O00P 121.4(8) . . ?
O015 C02U C06R 117.7(9) . . ?
C01S C02V H02V 119.7 . . ?
C03X C02V C01S 120.5(8) . . ?
C03X C02V H02V 119.7 . . ?
H02A N02W H02B 107.7 . . ?
C086 N02W H02A 108.8 . . ?
C086 N02W H02B 108.8 . . ?
C086 N02W C091 113.6(11) . . ?
C091 N02W H02A 108.8 . . ?
C091 N02W H02B 108.8 . . ?
C03V C02X H02X 120.1 . . ?
C03W C02X H02X 120.1 . . ?
C03W C02X C03V 119.8(8) . . ?
O014 C02Y C07O 118.2(11) . . ?
C04S C02Y O014 121.0(9) . . ?
C04S C02Y C07O 120.8(10) . . ?
C04W C02Z C01K 120.4(9) . . ?
C04W C02Z C062 118.4(8) . . ?
C062 C02Z C01K 121.2(8) . . ?
C027 C030 H030 118.9 . . ?
C027 C030 C03N 122.2(8) . . ?
C03N C030 H030 118.9 . . ?
C03R C031 C01K 120.5(7) . . ?
C03R C031 C05I 120.6(7) . . ?
C05I C031 C01K 118.9(6) . . ?
C01Q C032 H032 119.0 . . ?
C03Z C032 C01Q 122.0(9) . . ?
C03Z C032 H032 119.0 . . ?
C01B C033 H033 119.9 . . ?
C01B C033 C03B 120.1(11) . . ?
C03B C033 H033 119.9 . . ?
C03R C034 H034 119.3 . . ?
C071 C034 H034 119.3 . . ?
C071 C034 C03R 121.4(7) . . ?
O00O C035 C05C 127.6(8) . . ?
O00O C035 C05F 112.1(8) . . ?
C05F C035 C05C 120.3(9) . . ?
C02S C036 H036 119.3 . . ?
C02S C036 C03L 121.4(8) . . ?
C03L C036 H036 119.3 . . ?
C01V C037 H037 118.7 . . ?
C056 C037 C01V 122.6(9) . . ?
C056 C037 H037 118.7 . . ?
C03K C038 H038 119.8 . . ?
C07Y C038 H038 119.8 . . ?
C07Y C038 C03K 120.4(9) . . ?
C08Z N039 H039 112.9 . . ?
C08Z N039 C093 113.1(15) . . ?
C093 N039 H039 112.0 . . ?
O017 C03A C04X 115.3(9) . . ?
O017 C03A C08N 124.4(9) . . ?
C08N C03A C04X 120.3(10) . . ?
C033 C03B H03B 119.7 . . ?
C033 C03B C06P 120.6(11) . . ?
C06P C03B H03B 119.7 . . ?
C02M C03C C02R 119.9(9) . . ?
C02M C03C C06O 118.3(9) . . ?
C02R C03C C06O 121.8(9) . . ?
C021 C03D H03D 119.5 . . ?
C03M C03D C021 121.1(10) . . ?
C03M C03D H03D 119.5 . . ?
C024 C03E H03E 119.0 . . ?
C06I C03E C024 121.9(9) . . ?
C06I C03E H03E 119.0 . . ?
C01X C03F C01T 119.2(8) . . ?
C01X C03F C040 118.0(8) . . ?
C040 C03F C01T 122.9(8) . . ?
C03I C03G P005 123.5(7) . . ?
C04G C03G P005 117.8(7) . . ?
C04G C03G C03I 118.7(9) . . ?
C063 C03H P00A 118.1(7) . . ?
C063 C03H C06V 118.0(9) . . ?
C06V C03H P00A 123.6(8) . . ?
C03G C03I H03I 119.6 . . ?
C06X C03I C03G 120.8(9) . . ?
C06X C03I H03I 119.6 . . ?
C01O C03J H03J 119.7 . . ?
C01O C03J C052 120.6(9) . . ?
C052 C03J H03J 119.7 . . ?
C038 C03K P005 118.1(6) . . ?
C038 C03K C07W 117.4(8) . . ?
C07W C03K P005 124.5(8) . . ?
C036 C03L H03L 120.0 . . ?
C06G C03L C036 120.0(9) . . ?
C06G C03L H03L 120.0 . . ?
C03D C03M H03M 120.0 . . ?
C03D C03M C06Q 120.0(10) . . ?
C06Q C03M H03M 120.0 . . ?
C01T C03N P003 122.7(6) . . ?
C01T C03N C030 119.3(7) . . ?
C030 C03N P003 117.8(6) . . ?
C02I C03O H03O 119.3 . . ?
C02I C03O C04K 121.4(9) . . ?
C04K C03O H03O 119.3 . . ?
C01U C03P H03P 120.0 . . ?
C01U C03P C043 119.9(8) . . ?
C043 C03P H03P 120.0 . . ?
O00X C03Q C06E 121.7(9) . . ?
O02A C03Q O00X 120.3(8) . . ?
O02A C03Q C06E 117.7(8) . . ?
C031 C03R P009 125.9(6) . . ?
C031 C03R C034 117.8(7) . . ?
C034 C03R P009 115.9(5) . . ?
C02E C03S H03S 119.9 . . ?
C07R C03S C02E 120.2(13) . . ?
C07R C03S H03S 119.9 . . ?
C02L C03T H03T 119.9 . . ?
C02L C03T C07L 120.2(10) . . ?
C07L C03T H03T 119.9 . . ?
C045 C03U C04E 122.8(9) . . ?
C04M C03U C045 116.9(8) . . ?
C04M C03U C04E 120.3(8) . . ?
C02X C03V H03V 119.7 . . ?
C078 C03V C02X 120.6(9) . . ?
C078 C03V H03V 119.7 . . ?
O019 C03W C02P 115.1(7) . . ?
O019 C03W C02X 125.4(7) . . ?
C02X C03W C02P 119.4(7) . . ?
C01H C03X H03X 119.1 . . ?
C02V C03X C01H 121.8(8) . . ?
C02V C03X H03X 119.1 . . ?
C01G C03Y H03Y 119.7 . . ?
C04H C03Y C01G 120.7(9) . . ?
C04H C03Y H03Y 119.7 . . ?
C02T C03Z H03Z 119.7 . . ?
C032 C03Z C02T 120.6(8) . . ?
C032 C03Z H03Z 119.7 . . ?
C03F C040 H040 120.2 . . ?
C04D C040 C03F 119.6(9) . . ?
C04D C040 H040 120.2 . . ?
C02K C041 H041 119.1 . . ?
C02K C041 C04W 121.8(9) . . ?
C04W C041 H041 119.1 . . ?
C02D C042 H042 120.5 . . ?
C02D C042 C076 119.1(11) . . ?
C076 C042 H042 120.5 . . ?
C03P C043 H043 120.2 . . ?
C04F C043 C03P 119.6(8) . . ?
C04F C043 H043 120.2 . . ?
C025 C044 H044 119.4 . . ?
C025 C044 C064 121.2(10) . . ?
C064 C044 H044 119.4 . . ?
C03U C045 H045 118.8 . . ?
C07H C045 C03U 122.4(11) . . ?
C07H C045 H045 118.8 . . ?
C04Y C046 H046 119.5 . . ?
C05L C046 H046 119.5 . . ?
C05L C046 C04Y 121.0(9) . . ?
C07L C047 H047 120.2 . . ?
C07L C047 C07S 119.7(9) . . ?
C07S C047 H047 120.2 . . ?
O00S C048 C02G 119.5(8) . . ?
O01D C048 O00S 122.2(9) . . ?
O01D C048 C02G 118.3(8) . . ?
C04W C049 H049 119.0 . . ?
C055 C049 H049 119.0 . . ?
C055 C049 C04W 122.0(11) . . ?
C05W C04A P006 119.9(7) . . ?
C05W C04A C06T 117.5(9) . . ?
C06T C04A P006 122.5(7) . . ?
C02E C04B H04B 119.7 . . ?
C08W C04B C02E 120.7(11) . . ?
C08W C04B H04B 119.7 . . ?
O00R C04C C04O 119.4(7) . . ?
O01R C04C O00R 120.5(8) . . ?
O01R C04C C04O 120.1(9) . . ?
C040 C04D H04D 118.3 . . ?
C040 C04D C04J 123.3(9) . . ?
C04J C04D H04D 118.3 . . ?
C01V C04E C02R 123.3(7) . . ?
C01V C04E C03U 118.3(8) . . ?
C03U C04E C02R 118.4(7) . . ?
C02G C04F H04F 119.4 . . ?
C043 C04F C02G 121.2(8) . . ?
C043 C04F H04F 119.4 . . ?
C03G C04G H04G 120.1 . . ?
C08B C04G C03G 119.9(9) . . ?
C08B C04G H04G 120.1 . . ?
C02M C04H H04H 119.8 . . ?
C03Y C04H C02M 120.4(9) . . ?
C03Y C04H H04H 119.8 . . ?
C05O C04I P004 118.1(7) . . ?
C05O C04I C07K 117.8(8) . . ?
C07K C04I P004 124.0(7) . . ?
C02N C04J C04D 119.1(8) . . ?
C02N C04J H04J 120.4 . . ?
C04D C04J H04J 120.4 . . ?
C01O C04K C03O 118.7(9) . . ?
C01O C04K H04K 120.7 . . ?
C03O C04K H04K 120.7 . . ?
O016 C04L C053 121.6(8) . . ?
O016 C04L C073 119.1(9) . . ?
C053 C04L C073 119.3(10) . . ?
C03U C04M C083 119.1(10) . . ?
C056 C04M C03U 118.8(8) . . ?
C056 C04M C083 122.1(11) . . ?
C02B C04N H04N 118.2 . . ?
C02B C04N C06C 123.6(8) . . ?
C06C C04N H04N 118.2 . . ?
C02P C04O C04C 121.9(8) . . ?
C02P C04O C078 117.6(7) . . ?
C078 C04O C04C 120.4(7) . . ?
C079 C04P H04P 120.2 . . ?
C079 C04P C07K 119.5(11) . . ?
C07K C04P H04P 120.2 . . ?
C02H C04Q C05Y 121.6(9) . . ?
C04Y C04Q C02H 118.7(8) . . ?
C04Y C04Q C05Y 119.7(8) . . ?
C01B C04R H04R 119.4 . . ?
C07Q C04R C01B 121.1(10) . . ?
C07Q C04R H04R 119.4 . . ?
C02Y C04S H04S 119.1 . . ?
C02Y C04S C089 121.7(12) . . ?
C089 C04S H04S 119.1 . . ?
C02O C04T H04T 119.6 . . ?
C05V C04T C02O 120.8(9) . . ?
C05V C04T H04T 119.6 . . ?
C01W C04U H04U 119.0 . . ?
C01W C04U C06U 122.0(8) . . ?
C06U C04U H04U 119.0 . . ?
O00Q C04V C05J 113.6(9) . . ?
O00Q C04V C077 123.7(8) . . ?
C077 C04V C05J 122.6(9) . . ?
C02Z C04W C049 119.1(11) . . ?
C041 C04W C02Z 118.7(8) . . ?
C041 C04W C049 122.2(10) . . ?
O00M C04X C03A 113.5(7) . . ?
O00M C04X C06R 126.5(8) . . ?
C03A C04X C06R 120.0(9) . . ?
C046 C04Y C029 123.7(8) . . ?
C046 C04Y C04Q 117.5(8) . . ?
C04Q C04Y C029 118.8(7) . . ?
H04A N04Z H04C 107.8 . . ?
C08T N04Z H04A 109.0 . . ?
C08T N04Z H04C 109.0 . . ?
C08T N04Z C096 112.7(12) . . ?
C096 N04Z H04A 109.0 . . ?
C096 N04Z H04C 109.0 . . ?
O00V C050 C077 118.5(8) . . ?
O01C C050 O00V 120.5(9) . . ?
O01C C050 C077 121.0(8) . . ?
C025 C051 H051 118.7 . . ?
C08V C051 C025 122.6(10) . . ?
C08V C051 H051 118.7 . . ?
C02I C052 C03J 121.0(9) . . ?
C02I C052 H052 119.5 . . ?
C03J C052 H052 119.5 . . ?
O011 C053 C04L 117.6(9) . . ?
O011 C053 C058 122.1(8) . . ?
C058 C053 C04L 120.3(8) . . ?
C02J C054 H054 120.4 . . ?
C02J C054 C06I 119.3(10) . . ?
C06I C054 H054 120.4 . . ?
C049 C055 H055 120.0 . . ?
C049 C055 C06Z 120.0(10) . . ?
C06Z C055 H055 120.0 . . ?
C037 C056 C04M 120.5(10) . . ?
C037 C056 H056 119.8 . . ?
C04M C056 H056 119.7 . . ?
C065 C057 C05I 120.8(8) . . ?
C065 C057 C071 121.1(8) . . ?
C071 C057 C05I 118.1(8) . . ?
C053 C058 H058 120.3 . . ?
C053 C058 C07B 119.4(10) . . ?
C07B C058 H058 120.3 . . ?
O012 C059 C05D 115.5(7) . . ?
O012 C059 C08X 126.5(9) . . ?
C08X C059 C05D 118.0(10) . . ?
C06B C05A P006 120.2(8) . . ?
C06B C05A C08L 116.6(10) . . ?
C08L C05A P006 122.5(8) . . ?
H05A N05B H05B 108.0 . . ?
C08G N05B H05A 109.4 . . ?
C08G N05B H05B 109.4 . . ?
C08G N05B C08S 111.4(12) . . ?
C08S N05B H05A 109.4 . . ?
C08S N05B H05B 109.4 . . ?
C035 C05C C05K 120.8(9) . . ?
C05R C05C C035 118.8(9) . . ?
C05R C05C C05K 120.3(8) . . ?
O00U C05D C059 112.4(8) . . ?
O00U C05D C06E 125.2(7) . . ?
C06E C05D C059 122.4(7) . . ?
C01S C05E H05E 119.7 . . ?
C06Q C05E C01S 120.6(10) . . ?
C06Q C05E H05E 119.7 . . ?
O01N C05F C035 115.9(10) . . ?
O01N C05F C07N 124.7(9) . . ?
C035 C05F C07N 119.3(9) . . ?
C023 C05G H05G 118.5 . . ?
C05N C05G C023 123.0(10) . . ?
C05N C05G H05G 118.5 . . ?
C01Z C05H H05H 119.5 . . ?
C01Z C05H C074 121.1(10) . . ?
C074 C05H H05H 119.5 . . ?
C031 C05I C06M 122.6(8) . . ?
C057 C05I C031 120.3(7) . . ?
C057 C05I C06M 117.1(8) . . ?
O020 C05J C04V 114.7(10) . . ?
O020 C05J C07J 126.0(11) . . ?
C07J C05J C04V 119.2(11) . . ?
O00T C05K C05C 119.7(7) . . ?
O01Y C05K O00T 121.4(8) . . ?
O01Y C05K C05C 118.8(9) . . ?
C046 C05L H05L 119.0 . . ?
C046 C05L C06A 122.0(9) . . ?
C06A C05L H05L 119.0 . . ?
C05G C05N H05N 120.2 . . ?
C05X C05N C05G 119.6(9) . . ?
C05X C05N H05N 120.2 . . ?
C04I C05O H05O 119.2 . . ?
C05T C05O C04I 121.5(11) . . ?
C05T C05O H05O 119.2 . . ?
C02M C05P H05P 120.3 . . ?
C07A C05P C02M 119.3(11) . . ?
C07A C05P H05P 120.3 . . ?
C06C C05Q H05Q 119.4 . . ?
C07V C05Q H05Q 119.4 . . ?
C07V C05Q C06C 121.1(11) . . ?
C05C C05R H05R 119.0 . . ?
C05C C05R C08J 121.9(9) . . ?
C08J C05R H05R 119.1 . . ?
C075 C05S P009 123.5(8) . . ?
C075 C05S C07C 118.8(9) . . ?
C07C C05S P009 117.6(7) . . ?
C05O C05T H05T 120.2 . . ?
C05O C05T C079 119.6(11) . . ?
C079 C05T H05T 120.2 . . ?
O018 C05U C06J 120.5(8) . . ?
O01F C05U O018 119.9(10) . . ?
O01F C05U C06J 119.6(10) . . ?
C04T C05V H05V 120.0 . . ?
C04T C05V C06U 119.9(9) . . ?
C06U C05V H05V 120.0 . . ?
C04A C05W H05W 119.3 . . ?
C04A C05W C08F 121.4(11) . . ?
C08F C05W H05W 119.3 . . ?
C02T C05X H05X 119.2 . . ?
C05N C05X C02T 121.5(9) . . ?
C05N C05X H05X 119.2 . . ?
C04Q C05Y H05Y 119.8 . . ?
C06A C05Y C04Q 120.5(10) . . ?
C06A C05Y H05Y 119.8 . . ?
C06X C05Z H05Z 119.9 . . ?
C08B C05Z H05Z 119.9 . . ?
C08B C05Z C06X 120.2(11) . . ?
C06S C060 H060 119.8 . . ?
C074 C060 H060 119.8 . . ?
C074 C060 C06S 120.5(9) . . ?
C02L C061 H061 119.1 . . ?
C02L C061 C07S 121.8(10) . . ?
C07S C061 H061 119.1 . . ?
C02Z C062 H062 120.4 . . ?
C06Z C062 C02Z 119.3(10) . . ?
C06Z C062 H062 120.4 . . ?
C03H C063 H063 119.5 . . ?
C03H C063 C07D 121.1(10) . . ?
C07D C063 H063 119.5 . . ?
C044 C064 H064 120.7 . . ?
C07X C064 C044 118.6(11) . . ?
C07X C064 H064 120.7 . . ?
C057 C065 H065 120.3 . . ?
C08Q C065 C057 119.4(10) . . ?
C08Q C065 H065 120.3 . . ?
C06G C066 H066 120.5 . . ?
C06G C066 C06N 119.0(9) . . ?
C06N C066 H066 120.5 . . ?
C077 C067 H067 119.1 . . ?
C07P C067 H067 119.1 . . ?
C07P C067 C077 121.9(12) . . ?
C07D C068 H068 119.6 . . ?
C07D C068 C08H 120.8(10) . . ?
C08H C068 H068 119.6 . . ?
C06H C069 H069 120.8 . . ?
C06H C069 C075 118.3(11) . . ?
C075 C069 H069 120.8 . . ?
C05L C06A H06A 120.4 . . ?
C05Y C06A C05L 119.3(10) . . ?
C05Y C06A H06A 120.4 . . ?
C05A C06B H06B 118.3 . . ?
C08I C06B C05A 123.3(13) . . ?
C08I C06B H06B 118.3 . . ?
C04N C06C C05Q 117.1(10) . . ?
C04N C06C H06C 121.5 . . ?
C05Q C06C H06C 121.5 . . ?
C06O C06D H06D 118.8 . . ?
C06O C06D C07A 122.4(11) . . ?
C07A C06D H06D 118.8 . . ?
C05D C06E C03Q 121.3(8) . . ?
C05D C06E C084 116.6(8) . . ?
C084 C06E C03Q 122.2(10) . . ?
C01Z C06F H06F 119.7 . . ?
C01Z C06F C06S 120.6(10) . . ?
C06S C06F H06F 119.7 . . ?
C03L C06G C066 121.1(9) . . ?
C03L C06G H06G 119.5 . . ?
C066 C06G H06G 119.5 . . ?
C069 C06H H06H 119.1 . . ?
C069 C06H C08O 121.7(10) . . ?
C08O C06H H06H 119.1 . . ?
C03E C06I C054 119.9(10) . . ?
C03E C06I H06I 120.0 . . ?
C054 C06I H06I 120.0 . . ?
C072 C06J C05U 121.9(9) . . ?
C072 C06J C082 117.1(10) . . ?
C082 C06J C05U 121.0(10) . . ?
O01E C06K C070 114.7(9) . . ?
O01E C06K C08A 125.1(14) . . ?
C08A C06K C070 120.2(14) . . ?
H06E N06L H06J 107.6 . . ?
C097 N06L H06E 108.6 . . ?
C097 N06L H06J 108.6 . . ?
C097 N06L C098 114.7(18) . . ?
C098 N06L H06E 108.6 . . ?
C098 N06L H06J 108.6 . . ?
C05I C06M H06M 119.6 . . ?
C088 C06M C05I 120.9(9) . . ?
C088 C06M H06M 119.6 . . ?
C02S C06N C066 120.2(9) . . ?
C02S C06N H06N 119.9 . . ?
C066 C06N H06N 119.9 . . ?
C03C C06O H06O 120.4 . . ?
C06D C06O C03C 119.2(11) . . ?
C06D C06O H06O 120.4 . . ?
C03B C06P H06P 120.2 . . ?
C07Q C06P C03B 119.6(10) . . ?
C07Q C06P H06P 120.2 . . ?
C03M C06Q H06Q 119.6 . . ?
C05E C06Q C03M 120.9(9) . . ?
C05E C06Q H06Q 119.6 . . ?
C04X C06R C02U 120.4(9) . . ?
C06W C06R C02U 121.6(8) . . ?
C06W C06R C04X 117.9(8) . . ?
C060 C06S H06S 120.4 . . ?
C06F C06S C060 119.3(11) . . ?
C06F C06S H06S 120.4 . . ?
C04A C06T H06T 118.6 . . ?
C08U C06T C04A 122.7(10) . . ?
C08U C06T H06T 118.6 . . ?
C04U C06U C05V 119.0(9) . . ?
C04U C06U H06U 120.5 . . ?
C05V C06U H06U 120.5 . . ?
C03H C06V H06V 119.7 . . ?
C08H C06V C03H 120.7(11) . . ?
C08H C06V H06V 119.7 . . ?
C06R C06W H06W 119.5 . . ?
C07T C06W C06R 121.1(10) . . ?
C07T C06W H06W 119.5 . . ?
C03I C06X C05Z 119.9(10) . . ?
C03I C06X H06X 120.0 . . ?
C05Z C06X H06X 120.0 . . ?
C02B C06Y H06Y 119.8 . . ?
C07V C06Y C02B 120.3(10) . . ?
C07V C06Y H06Y 119.8 . . ?
C055 C06Z H06Z 119.5 . . ?
C062 C06Z C055 121.0(11) . . ?
C062 C06Z H06Z 119.5 . . ?
O010 C070 C06K 113.2(11) . . ?
O010 C070 C07M 125.8(11) . . ?
C07M C070 C06K 120.9(11) . . ?
C034 C071 C057 121.7(8) . . ?
C034 C071 H071 119.1 . . ?
C057 C071 H071 119.1 . . ?
O013 C072 C07F 111.9(9) . . ?
C06J C072 O013 126.6(10) . . ?
C06J C072 C07F 121.5(10) . . ?
C04L C073 H073 120.3 . . ?
C08P C073 C04L 119.4(10) . . ?
C08P C073 H073 120.3 . . ?
C05H C074 H074 120.1 . . ?
C060 C074 C05H 119.8(10) . . ?
C060 C074 H074 120.1 . . ?
C05S C075 C069 121.4(10) . . ?
C05S C075 H075 119.3 . . ?
C069 C075 H075 119.3 . . ?
C042 C076 H076 118.2 . . ?
C090 C076 C042 123.7(15) . . ?
C090 C076 H076 118.2 . . ?
C04V C077 C050 125.0(8) . . ?
C04V C077 C067 116.0(9) . . ?
C067 C077 C050 118.9(9) . . ?
C03V C078 C04O 120.8(8) . . ?
C03V C078 H078 119.6 . . ?
C04O C078 H078 119.6 . . ?
C04P C079 C05T 120.8(10) . . ?
C04P C079 H079 119.6 . . ?
C05T C079 H079 119.6 . . ?
C05P C07A H07A 119.8 . . ?
C06D C07A C05P 120.3(10) . . ?
C06D C07A H07A 119.8 . . ?
C058 C07B H07B 119.9 . . ?
C08P C07B C058 120.3(11) . . ?
C08P C07B H07B 119.9 . . ?
C05S C07C H07C 118.8 . . ?
C05S C07C C08O 122.3(11) . . ?
C08O C07C H07C 118.8 . . ?
C063 C07D H07D 120.4 . . ?
C068 C07D C063 119.2(11) . . ?
C068 C07D H07D 120.4 . . ?
C07Y C07E H07E 121.5 . . ?
C07Y C07E C08Y 117.1(11) . . ?
C08Y C07E H07E 121.5 . . ?
O028 C07F C072 115.0(9) . . ?
O028 C07F C08M 125.4(11) . . ?
C08M C07F C072 119.6(11) . . ?
C07I C07G H07G 119.7 . . ?
C07I C07G C07O 120.6(13) . . ?
C07O C07G H07G 119.7 . . ?
C045 C07H H07H 120.2 . . ?
C045 C07H C081 119.7(12) . . ?
C081 C07H H07H 120.2 . . ?
C07G C07I H07I 119.0 . . ?
C089 C07I C07G 122.0(13) . . ?
C089 C07I H07I 119.0 . . ?
C05J C07J H07J 119.9 . . ?
C05J C07J C07P 120.3(11) . . ?
C07P C07J H07J 119.9 . . ?
C04I C07K H07K 119.7 . . ?
C04P C07K C04I 120.6(10) . . ?
C04P C07K H07K 119.7 . . ?
C03T C07L H07L 119.3 . . ?
C047 C07L C03T 121.5(11) . . ?
C047 C07L H07L 119.3 . . ?
C070 C07M C08D 123.3(11) . . ?
C070 C07M C08R 118.3(16) . . ?
C08R C07M C08D 118.4(14) . . ?
C05F C07N H07N 119.9 . . ?
C08J C07N C05F 120.2(10) . . ?
C08J C07N H07N 119.9 . . ?
O01L C07O C02Y 121.5(10) . . ?
O01L C07O C07G 121.0(11) . . ?
C02Y C07O C07G 117.5(14) . . ?
C067 C07P C07J 120.0(11) . . ?
C067 C07P H07P 120.0 . . ?
C07J C07P H07P 120.0 . . ?
C04R C07Q H07Q 120.1 . . ?
C06P C07Q C04R 119.8(11) . . ?
C06P C07Q H07Q 120.1 . . ?
C03S C07R H07R 120.1 . . ?
C08K C07R C03S 119.7(12) . . ?
C08K C07R H07R 120.1 . . ?
C047 C07S C061 120.1(11) . . ?
C047 C07S H07S 120.0 . . ?
C061 C07S H07S 120.0 . . ?
C06W C07T H07T 118.9 . . ?
C06W C07T C08N 122.3(12) . . ?
C08N C07T H07T 118.9 . . ?
C05Q C07V C06Y 121.1(9) . . ?
C05Q C07V H07V 119.4 . . ?
C06Y C07V H07V 119.4 . . ?
C03K C07W H07W 119.9 . . ?
C03K C07W C08Y 120.3(11) . . ?
C08Y C07W H07W 119.9 . . ?
C064 C07X H07X 119.7 . . ?
C08V C07X C064 120.6(10) . . ?
C08V C07X H07X 119.7 . . ?
C038 C07Y H07Y 118.1 . . ?
C07E C07Y C038 123.8(13) . . ?
C07E C07Y H07Y 118.1 . . ?
C082 C080 H080 119.7 . . ?
C082 C080 C08M 120.6(11) . . ?
C08M C080 H080 119.7 . . ?
C07H C081 H081 119.7 . . ?
C083 C081 C07H 120.6(10) . . ?
C083 C081 H081 119.7 . . ?
C06J C082 H082 118.6 . . ?
C080 C082 C06J 122.8(11) . . ?
C080 C082 H082 118.6 . . ?
C04M C083 H083 119.3 . . ?
C081 C083 C04M 121.3(12) . . ?
C081 C083 H083 119.3 . . ?
C06E C084 H084 118.8 . . ?
C092 C084 C06E 122.3(11) . . ?
C092 C084 H084 118.8 . . ?
C02D C085 H085 120.3 . . ?
C02D C085 C094 119.4(14) . . ?
C094 C085 H085 120.3 . . ?
N02W C086 H08D 109.5 . . ?
N02W C086 H08G 109.5 . . ?
N02W C086 H08S 109.5 . . ?
H08D C086 H08G 109.5 . . ?
H08D C086 H08S 109.5 . . ?
H08G C086 H08S 109.5 . . ?
C08F C087 H087 119.2 . . ?
C08F C087 C08U 121.6(11) . . ?
C08U C087 H087 119.2 . . ?
C06M C088 H088 119.5 . . ?
C06M C088 C08Q 120.9(9) . . ?
C08Q C088 H088 119.5 . . ?
C04S C089 H089 121.3 . . ?
C07I C089 C04S 117.3(15) . . ?
C07I C089 H089 121.3 . . ?
C06K C08A H08A 121.4 . . ?
C06K C08A C095 117.3(16) . . ?
C095 C08A H08A 121.4 . . ?
C04G C08B H08B 119.8 . . ?
C05Z C08B C04G 120.3(9) . . ?
C05Z C08B H08B 119.8 . . ?
C08E C08C H08C 119.5 . . ?
C08I C08C H08C 119.5 . . ?
C08I C08C C08E 121.0(12) . . ?
O01J C08D C07M 116.6(12) . . ?
C07Z C08D O01J 120.0(17) . . ?
C07Z C08D C07M 123.3(15) . . ?
C08C C08E H08E 120.6 . . ?
C08C C08E C08L 118.7(13) . . ?
C08L C08E H08E 120.6 . . ?
C05W C08F H08F 121.3 . . ?
C087 C08F C05W 117.4(12) . . ?
C087 C08F H08F 121.3 . . ?
N05B C08G H08 109.5 . . ?
N05B C08G H 109.5 . . ?
N05B C08G HA 109.5 . . ?
H08 C08G H 109.5 . . ?
H08 C08G HA 109.5 . . ?
H C08G HA 109.5 . . ?
C068 C08H H08H 119.9 . . ?
C06V C08H C068 120.2(12) . . ?
C06V C08H H08H 119.9 . . ?
C06B C08I C08C 119.1(14) . . ?
C06B C08I H08I 120.5 . . ?
C08C C08I H08I 120.5 . . ?
C05R C08J C07N 119.4(11) . . ?
C05R C08J H08J 120.3 . . ?
C07N C08J H08J 120.3 . . ?
C07R C08K H08K 120.2 . . ?
C07R C08K C08W 119.6(11) . . ?
C08W C08K H08K 120.2 . . ?
C05A C08L C08E 121.1(12) . . ?
C05A C08L H08L 119.5 . . ?
C08E C08L H08L 119.5 . . ?
C07F C08M C080 118.3(12) . . ?
C07F C08M H08M 120.8 . . ?
C080 C08M H08M 120.8 . . ?
C03A C08N C07T 118.2(10) . . ?
C03A C08N H08N 120.9 . . ?
C07T C08N H08N 120.9 . . ?
C06H C08O C07C 117.4(11) . . ?
C06H C08O H08O 121.3 . . ?
C07C C08O H08O 121.3 . . ?
C073 C08P H08P 119.4 . . ?
C07B C08P C073 121.2(10) . . ?
C07B C08P H08P 119.4 . . ?
C065 C08Q C088 120.9(10) . . ?
C065 C08Q H08Q 119.6 . . ?
C088 C08Q H08Q 119.6 . . ?
C07M C08R H08R 119.5 . . ?
C095 C08R C07M 121.1(17) . . ?
C095 C08R H08R 119.5 . . ?
N05B C08S H1 109.5 . . ?
N05B C08S HB 109.5 . . ?
N05B C08S HC 109.5 . . ?
H1 C08S HB 109.5 . . ?
H1 C08S HC 109.5 . . ?
HB C08S HC 109.5 . . ?
N04Z C08T H08T 109.5 . . ?
N04Z C08T H08Z 109.5 . . ?
N04Z C08T HD 109.5 . . ?
H08T C08T H08Z 109.5 . . ?
H08T C08T HD 109.5 . . ?
H08Z C08T HD 109.5 . . ?
C06T C08U C087 119.2(11) . . ?
C06T C08U H08U 120.4 . . ?
C087 C08U H08U 120.4 . . ?
C051 C08V C07X 119.7(11) . . ?
C051 C08V H08V 120.2 . . ?
C07X C08V H08V 120.2 . . ?
C04B C08W C08K 120.5(14) . . ?
C04B C08W H08W 119.7 . . ?
C08K C08W H08W 119.7 . . ?
C059 C08X H08X 119.6 . . ?
C059 C08X C092 120.8(9) . . ?
C092 C08X H08X 119.6 . . ?
C07E C08Y C07W 120.7(10) . . ?
C07E C08Y H08Y 119.6 . . ?
C07W C08Y H08Y 119.6 . . ?
N039 C08Z H2 109.5 . . ?
N039 C08Z HE 109.5 . . ?
N039 C08Z HF 109.5 . . ?
H2 C08Z HE 109.5 . . ?
H2 C08Z HF 109.5 . . ?
HE C08Z HF 109.5 . . ?
C076 C090 H090 121.1 . . ?
C076 C090 C094 117.8(13) . . ?
C094 C090 H090 121.1 . . ?
N02W C091 H09A 109.5 . . ?
N02W C091 H09B 109.5 . . ?
N02W C091 H09C 109.5 . . ?
H09A C091 H09B 109.5 . . ?
H09A C091 H09C 109.5 . . ?
H09B C091 H09C 109.5 . . ?
C084 C092 C08X 119.7(9) . . ?
C084 C092 H092 120.1 . . ?
C08X C092 H092 120.1 . . ?
N039 C093 H09M 109.5 . . ?
N039 C093 H09N 109.5 . . ?
N039 C093 H09O 109.5 . . ?
H09M C093 H09N 109.5 . . ?
H09M C093 H09O 109.5 . . ?
H09N C093 H09O 109.5 . . ?
C085 C094 H094 119.1 . . ?
C090 C094 C085 121.9(14) . . ?
C090 C094 H094 119.1 . . ?
C08A C095 H095 118.9 . . ?
C08R C095 C08A 122.2(13) . . ?
C08R C095 H095 118.9 . . ?
N04Z C096 H09D 109.5 . . ?
N04Z C096 H09E 109.5 . . ?
N04Z C096 H09F 109.5 . . ?
H09D C096 H09E 109.5 . . ?
H09D C096 H09F 109.5 . . ?
H09E C096 H09F 109.5 . . ?
N06L C097 H09G 109.5 . . ?
N06L C097 H09H 109.5 . . ?
N06L C097 H09I 109.5 . . ?
H09G C097 H09H 109.5 . . ?
H09G C097 H09I 109.5 . . ?
H09H C097 H09I 109.5 . . ?
N06L C098 H09J 109.5 . . ?
N06L C098 H09K 109.5 . . ?
N06L C098 H09L 109.5 . . ?
H09J C098 H09K 109.5 . . ?
H09J C098 H09L 109.5 . . ?
H09K C098 H09L 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Ag01 P004 C01O C03J -8.0(7) . . . . ?
Ag01 P004 C01O C04K 171.6(6) . . . . ?
Ag01 P004 C02F C026 96.7(6) . . . . ?
Ag01 P004 C02F C029 -76.4(7) . . . . ?
Ag01 P004 C04I C05O 16.1(8) . . . . ?
Ag01 P004 C04I C07K -167.7(7) . . . . ?
Ag01 P005 C01H C02C -74.2(7) . . . . ?
Ag01 P005 C01H C03X 99.0(6) . . . . ?
Ag01 P005 C03G C03I 170.2(7) . . . . ?
Ag01 P005 C03G C04G -9.2(8) . . . . ?
Ag01 P005 C03K C038 -1.0(9) . . . . ?
Ag01 P005 C03K C07W 178.9(9) . . . . ?
Ag01 P006 C01A C01K -77.3(7) . . . . ?
Ag01 P006 C01A C02K 97.8(6) . . . . ?
Ag01 P006 C04A C05W -11.2(9) . . . . ?
Ag01 P006 C04A C06T 165.4(7) . . . . ?
Ag01 P006 C05A C06B -45.5(8) . . . . ?
Ag01 P006 C05A C08L 125.0(7) . . . . ?
Ag01 P009 C02E C03S 14.7(8) . . . . ?
Ag01 P009 C02E C04B -172.1(7) . . . . ?
Ag01 P009 C03R C031 -70.3(7) . . . . ?
Ag01 P009 C03R C034 102.3(6) . . . . ?
Ag01 P009 C05S C075 155.0(7) . . . . ?
Ag01 P009 C05S C07C -28.6(8) . . . . ?
Ag02 P003 C02L C03T 162.6(6) . . . . ?
Ag02 P003 C02L C061 -23.8(8) . . . . ?
Ag02 P003 C02S C036 16.6(7) . . . . ?
Ag02 P003 C02S C06N -166.2(6) . . . . ?
Ag02 P003 C03N C01T -75.6(6) . . . . ?
Ag02 P003 C03N C030 98.8(5) . . . . ?
Ag02 P007 C01B C033 162.3(6) . . . . ?
Ag02 P007 C01B C04R -19.7(7) . . . . ?
Ag02 P007 C01Q C02Q -73.2(7) . . . . ?
Ag02 P007 C01Q C032 100.2(6) . . . . ?
Ag02 P007 C025 C044 1.5(8) . . . . ?
Ag02 P007 C025 C051 178.9(7) . . . . ?
Ag02 P008 C01G C02R -76.0(6) . . . . ?
Ag02 P008 C01G C03Y 94.2(5) . . . . ?
Ag02 P008 C01Z C05H 157.9(6) . . . . ?
Ag02 P008 C01Z C06F -24.4(9) . . . . ?
Ag02 P008 C02B C04N -14.3(8) . . . . ?
Ag02 P008 C02B C06Y 158.7(7) . . . . ?
Ag02 P00A C01V C037 95.4(7) . . . . ?
Ag02 P00A C01V C04E -76.1(7) . . . . ?
Ag02 P00A C02D C042 -4.3(8) . . . . ?
Ag02 P00A C02D C085 -178.8(9) . . . . ?
Ag02 P00A C03H C063 22.1(8) . . . . ?
Ag02 P00A C03H C06V -163.8(8) . . . . ?
P003 C02L C03T C07L 174.2(7) . . . . ?
P003 C02L C061 C07S -175.4(9) . . . . ?
P003 C02S C036 C03L 179.4(7) . . . . ?
P003 C02S C06N C066 -179.6(7) . . . . ?
P004 C01O C03J C052 178.9(7) . . . . ?
P004 C01O C04K C03O -179.2(7) . . . . ?
P004 C04I C05O C05T 174.0(9) . . . . ?
P004 C04I C07K C04P -172.3(9) . . . . ?
P005 C01H C02C C021 174.6(6) . . . . ?
P005 C01H C02C C029 -5.0(11) . . . . ?
P005 C01H C03X C02V -173.4(7) . . . . ?
P005 C03G C03I C06X 177.3(9) . . . . ?
P005 C03G C04G C08B -178.5(8) . . . . ?
P005 C03K C07W C08Y 179.5(10) . . . . ?
P006 C01A C01K C02Z 175.9(6) . . . . ?
P006 C01A C01K C031 -5.9(11) . . . . ?
P006 C01A C02K C041 -172.8(7) . . . . ?
P006 C04A C05W C08F 176.2(9) . . . . ?
P006 C04A C06T C08U 179.4(8) . . . . ?
P006 C05A C06B C08I 175.5(9) . . . . ?
P006 C05A C08L C08E -173.3(9) . . . . ?
P007 C01B C033 C03B 178.9(7) . . . . ?
P007 C01B C04R C07Q -179.7(8) . . . . ?
P007 C01Q C02Q C01I 176.5(6) . . . . ?
P007 C01Q C02Q C01T -12.2(11) . . . . ?
P007 C01Q C032 C03Z -175.1(7) . . . . ?
P007 C025 C044 C064 174.3(8) . . . . ?
P007 C025 C051 C08V -175.2(8) . . . . ?
P008 C01G C02R C03C 169.8(5) . . . . ?
P008 C01G C02R C04E -8.6(10) . . . . ?
P008 C01G C03Y C04H -167.0(6) . . . . ?
P008 C01Z C05H C074 177.4(8) . . . . ?
P008 C01Z C06F C06S -176.7(10) . . . . ?
P008 C02B C04N C06C 173.9(9) . . . . ?
P008 C02B C06Y C07V -172.4(8) . . . . ?
P009 C02E C03S C07R 169.6(8) . . . . ?
P009 C02E C04B C08W -170.8(9) . . . . ?
P009 C05S C075 C069 176.8(7) . . . . ?
P009 C05S C07C C08O -178.5(9) . . . . ?
P00A C01V C037 C056 -177.0(7) . . . . ?
P00A C01V C04E C02R -1.1(12) . . . . ?
P00A C01V C04E C03U -179.5(6) . . . . ?
P00A C02D C042 C076 -174.5(8) . . . . ?
P00A C02D C085 C094 173.5(11) . . . . ?
P00A C03H C063 C07D 173.8(8) . . . . ?
P00A C03H C06V C08H -173.3(11) . . . . ?
Al0B Al0D O00K C01W -174.3(8) . . . . ?
Al0B Al0D O00R C04C -125.8(7) . . . . ?
Al0B Al0D O00W C01M -170.9(7) . . . . ?
Al0B Al0D O00X C03Q -123.2(9) . . . . ?
Al0B O00K C01W C02O 86.1(10) . . . . ?
Al0B O00K C01W C04U -94.8(9) . . . . ?
Al0B O00L C01P C01U -178.4(5) . . . . ?
Al0B O00L C01P C02G 4.1(11) . . . . ?
Al0B O00M C04X C03A -160.5(7) . . . . ?
Al0B O00M C04X C06R 20.7(14) . . . . ?
Al0B O00P C02U O015 170.1(7) . . . . ?
Al0B O00P C02U C06R -10.6(14) . . . . ?
Al0B O00S C048 O01D 178.0(7) . . . . ?
Al0B O00S C048 C02G -1.9(13) . . . . ?
Al0B O00W C01M C024 88.8(8) . . . . ?
Al0B O00W C01M C02J -91.9(9) . . . . ?
Al0C O00J C02P C03W -7.2(8) . . . . ?
Al0C O00J C02P C04O 172.9(7) . . . . ?
Al0C O00L C01P C01U 6.7(7) . . . . ?
Al0C O00L C01P C02G -170.9(6) . . . . ?
Al0C O00N C01U C01P -7.5(8) . . . . ?
Al0C O00N C01U C03P 172.8(6) . . . . ?
Al0C O00Y C02O C01W 21.6(13) . . . . ?
Al0C O00Y C02O C04T -160.0(7) . . . . ?
Al0C O019 C03W C02P 8.6(9) . . . . ?
Al0C O019 C03W C02X -173.7(8) . . . . ?
Al0D Al0B O00K C01W 174.6(7) . . . . ?
Al0D Al0B O00P C02U 109.9(8) . . . . ?
Al0D Al0B O00S C048 92.9(8) . . . . ?
Al0D Al0B O00W C01M 171.3(7) . . . . ?
Al0D O00J C02P C03W 148.5(5) . . . . ?
Al0D O00J C02P C04O -31.4(10) . . . . ?
Al0D O00K C01W C02O -100.9(8) . . . . ?
Al0D O00K C01W C04U 78.2(11) . . . . ?
Al0D O00R C04C O01R -161.4(7) . . . . ?
Al0D O00R C04C C04O 17.5(13) . . . . ?
Al0D O00U C05D C059 150.2(7) . . . . ?
Al0D O00U C05D C06E -31.1(12) . . . . ?
Al0D O00W C01M C024 -102.4(8) . . . . ?
Al0D O00W C01M C02J 77.0(9) . . . . ?
Al0D O00X C03Q O02A -170.2(10) . . . . ?
Al0D O00X C03Q C06E 16.0(17) . . . . ?
Al0E Al0G O011 C053 -171.0(9) . . . . ?
Al0E Al0G O014 C02Y -173.4(11) . . . . ?
Al0E Al0G O018 C05U -122.4(8) . . . . ?
Al0E Al0G O01J C08D -116.6(11) . . . . ?
Al0E O00O C035 C05C 18.3(13) . . . . ?
Al0E O00O C035 C05F -162.6(7) . . . . ?
Al0E O00Q C04V C05J -164.7(6) . . . . ?
Al0E O00Q C04V C077 13.3(11) . . . . ?
Al0E O00T C05K O01Y 159.5(7) . . . . ?
Al0E O00T C05K C05C -17.6(13) . . . . ?
Al0E O00V C050 O01C 154.0(7) . . . . ?
Al0E O00V C050 C077 -26.2(12) . . . . ?
Al0E O011 C053 C04L 95.1(8) . . . . ?
Al0E O011 C053 C058 -86.9(10) . . . . ?
Al0E O014 C02Y C04S -87.4(11) . . . . ?
Al0E O014 C02Y C07O 93.5(11) . . . . ?
Al0F O00M C04X C03A 2.0(11) . . . . ?
Al0F O00M C04X C06R -176.8(8) . . . . ?
Al0F O00U C05D C059 -3.8(10) . . . . ?
Al0F O00U C05D C06E 174.9(9) . . . . ?
Al0F O00Z C024 C01M 11.0(13) . . . . ?
Al0F O00Z C024 C03E -169.3(7) . . . . ?
Al0F O012 C059 C05D 5.7(12) . . . . ?
Al0F O012 C059 C08X -176.1(10) . . . . ?
Al0F O017 C03A C04X 2.7(13) . . . . ?
Al0F O017 C03A C08N -176.2(10) . . . . ?
Al0G Al0E O00Q Al0I 34.8(4) . . . . ?
Al0G Al0E O00Q C04V -158.2(6) . . . . ?
Al0G Al0E O00T C05K 116.5(8) . . . . ?
Al0G Al0E O00V C050 120.4(7) . . . . ?
Al0G Al0E O011 C053 170.8(9) . . . . ?
Al0G Al0E O014 C02Y 173.8(10) . . . . ?
Al0G O010 C070 C06K 154.8(7) . . . . ?
Al0G O010 C070 C07M -26.6(12) . . . . ?
Al0G O011 C053 C04L -96.3(9) . . . . ?
Al0G O011 C053 C058 81.6(10) . . . . ?
Al0G O013 C072 C06J -24.4(14) . . . . ?
Al0G O013 C072 C07F 156.8(8) . . . . ?
Al0G O014 C02Y C04S 84.6(12) . . . . ?
Al0G O014 C02Y C07O -94.5(10) . . . . ?
Al0G O018 C05U O01F -161.7(7) . . . . ?
Al0G O018 C05U C06J 21.4(14) . . . . ?
Al0G O01J C08D C07M 12.9(18) . . . . ?
Al0G O01J C08D C07Z -167.8(11) . . . . ?
Al0H O00O C035 C05C -175.4(8) . . . . ?
Al0H O00O C035 C05F 3.7(11) . . . . ?
Al0H O010 C070 C06K -6.0(10) . . . . ?
Al0H O010 C070 C07M 172.5(9) . . . . ?
Al0H O016 C04L C053 6.4(14) . . . . ?
Al0H O016 C04L C073 -173.1(7) . . . . ?
Al0H O01E C06K C070 3.7(12) . . . . ?
Al0H O01E C06K C08A -175.0(8) . . . . ?
Al0H O01N C05F C035 -5.7(15) . . . . ?
Al0H O01N C05F C07N 177.0(12) . . . . ?
Al0I O00Q C04V C05J 4.0(9) . . . . ?
Al0I O00Q C04V C077 -178.0(7) . . . . ?
Al0I O013 C072 C06J 175.0(9) . . . . ?
Al0I O013 C072 C07F -3.8(12) . . . . ?
Al0I O01L C07O C02Y 1.8(17) . . . . ?
Al0I O01L C07O C07G -179.5(9) . . . . ?
Al0I O020 C05J C04V -5.6(13) . . . . ?
Al0I O020 C05J C07J 178.0(9) . . . . ?
Al0I O028 C07F C072 3.4(16) . . . . ?
Al0I O028 C07F C08M -176.8(12) . . . . ?
O00J Al0C O00N C01U -75.6(6) . . . . ?
O00J Al0C O00Y C02O 20.8(9) . . . . ?
O00J Al0C O019 C03W -10.0(6) . . . . ?
O00J Al0D O00K Al0B -93.7(3) . . . . ?
O00J Al0D O00K C01W 92.0(7) . . . . ?
O00J Al0D O00R C04C -37.8(8) . . . . ?
O00J Al0D O00W Al0B 86.0(3) . . . . ?
O00J Al0D O00W C01M -84.9(6) . . . . ?
O00J Al0D O00X C03Q 145.9(9) . . . . ?
O00J C02P C03W O019 -0.7(10) . . . . ?
O00J C02P C03W C02X -178.6(8) . . . . ?
O00J C02P C04O C04C -0.1(14) . . . . ?
O00J C02P C04O C078 179.3(8) . . . . ?
O00K Al0B O00P C02U 114.5(8) . . . . ?
O00K Al0B O00W Al0D -1.4(3) . . . . ?
O00K Al0B O00W C01M 169.9(6) . . . . ?
O00K Al0D O00W Al0B 1.4(3) . . . . ?
O00K Al0D O00W C01M -169.5(6) . . . . ?
O00K Al0D O00X C03Q -128.9(9) . . . . ?
O00K C01W C02O O00Y -1.3(13) . . . . ?
O00K C01W C02O C04T -179.6(8) . . . . ?
O00K C01W C04U C06U 178.7(10) . . . . ?
O00L Al0B O00K Al0D 90.7(3) . . . . ?
O00L Al0B O00K C01W -94.7(6) . . . . ?
O00L Al0B O00P C02U -160.6(8) . . . . ?
O00L Al0B O00S C048 4.9(8) . . . . ?
O00L Al0B O00W Al0D -86.2(3) . . . . ?
O00L Al0B O00W C01M 85.1(6) . . . . ?
O00L Al0C O00J Al0D 51.0(4) . . . . ?
O00L Al0C O00J C02P -155.3(5) . . . . ?
O00L Al0C O00N C01U 8.8(5) . . . . ?
O00L Al0C O00Y C02O -73.5(8) . . . . ?
O00L Al0C O019 C03W 62.1(11) . . . . ?
O00L C01P C01U O00N -0.1(9) . . . . ?
O00L C01P C01U C03P 179.6(7) . . . . ?
O00L C01P C02G C048 0.5(12) . . . . ?
O00L C01P C02G C04F 179.5(7) . . . . ?
O00M Al0B O00K Al0D -82.8(3) . . . . ?
O00M Al0B O00K C01W 91.8(6) . . . . ?
O00M Al0B O00P C02U 24.8(9) . . . . ?
O00M Al0B O00S C048 177.7(8) . . . . ?
O00M Al0B O00W Al0D 89.5(3) . . . . ?
O00M Al0B O00W C01M -99.2(6) . . . . ?
O00M Al0F O00Z C024 -62.7(9) . . . . ?
O00M Al0F O012 C059 63.2(13) . . . . ?
O00M Al0F O017 C03A -1.3(8) . . . . ?
O00M C04X C06R C02U 1.5(16) . . . . ?
O00M C04X C06R C06W -176.4(10) . . . . ?
O00N Al0C O00J Al0D 131.6(4) . . . . ?
O00N Al0C O00J C02P -74.7(6) . . . . ?
O00N Al0C O00Y C02O -158.5(7) . . . . ?
O00N Al0C O019 C03W 119.7(6) . . . . ?
O00N C01U C03P C043 -178.8(7) . . . . ?
O00O Al0E O00T C05K 28.9(8) . . . . ?
O00O Al0E O00V C050 -152.4(8) . . . . ?
O00O Al0E O011 Al0G 91.7(3) . . . . ?
O00O Al0E O011 C053 -97.5(8) . . . . ?
O00O Al0E O014 Al0G -84.3(3) . . . . ?
O00O Al0E O014 C02Y 89.6(8) . . . . ?
O00O Al0H O016 C04L -53.4(10) . . . . ?
O00O Al0H O01E C06K 69.8(12) . . . . ?
O00O Al0H O01N C05F 6.0(9) . . . . ?
O00O C035 C05C C05K 1.0(15) . . . . ?
O00O C035 C05C C05R 178.8(10) . . . . ?
O00O C035 C05F O01N 1.0(15) . . . . ?
O00O C035 C05F C07N 178.4(12) . . . . ?
O00P Al0B O00K Al0D -174.5(3) . . . . ?
O00P Al0B O00K C01W 0.1(6) . . . . ?
O00P Al0B O00S C048 -90.5(8) . . . . ?
O00P C02U C06R C04X -8.2(15) . . . . ?
O00P C02U C06R C06W 169.6(10) . . . . ?
O00Q Al0E O00T C05K -156.1(8) . . . . ?
O00Q Al0E O00V C050 33.1(8) . . . . ?
O00Q Al0E O011 Al0G -84.0(3) . . . . ?
O00Q Al0E O011 C053 86.7(8) . . . . ?
O00Q Al0E O014 Al0G 91.0(3) . . . . ?
O00Q Al0E O014 C02Y -95.2(8) . . . . ?
O00Q Al0I O01L C07O -49.9(11) . . . . ?
O00Q Al0I O020 C05J 6.3(8) . . . . ?
O00Q Al0I O028 C07F 70.5(13) . . . . ?
O00Q C04V C05J O020 0.6(12) . . . . ?
O00Q C04V C05J C07J 177.3(9) . . . . ?
O00Q C04V C077 C050 2.4(14) . . . . ?
O00Q C04V C077 C067 -179.1(8) . . . . ?
O00R Al0D O00W Al0B 176.3(3) . . . . ?
O00R Al0D O00W C01M 5.3(6) . . . . ?
O00R Al0D O00X C03Q 55.5(10) . . . . ?
O00R C04C C04O C02P 9.5(14) . . . . ?
O00R C04C C04O C078 -169.9(9) . . . . ?
O00S Al0B O00P C02U -66.8(9) . . . . ?
O00S Al0B O00W Al0D -179.5(3) . . . . ?
O00S Al0B O00W C01M -8.1(6) . . . . ?
O00T Al0E O00Q Al0I -98.3(4) . . . . ?
O00T Al0E O00Q C04V 68.7(6) . . . . ?
O00T Al0E O00V C050 -59.6(8) . . . . ?
O00T Al0E O014 Al0G -176.9(3) . . . . ?
O00T Al0E O014 C02Y -3.1(8) . . . . ?
O00U Al0D O00K Al0B 82.7(3) . . . . ?
O00U Al0D O00K C01W -91.7(7) . . . . ?
O00U Al0D O00R C04C 146.2(8) . . . . ?
O00U Al0D O00W Al0B -92.2(3) . . . . ?
O00U Al0D O00W C01M 96.9(6) . . . . ?
O00U Al0D O00X C03Q -36.5(10) . . . . ?
O00U Al0F O00Z C024 30.5(9) . . . . ?
O00U Al0F O012 C059 -6.2(8) . . . . ?
O00U Al0F O017 C03A -80.8(9) . . . . ?
O00U C05D C06E C03Q -0.3(17) . . . . ?
O00U C05D C06E C084 177.9(10) . . . . ?
O00V Al0E O00Q Al0I 168.4(4) . . . . ?
O00V Al0E O00Q C04V -24.6(6) . . . . ?
O00V Al0E O00T C05K -63.6(8) . . . . ?
O00V Al0E O011 Al0G -176.5(3) . . . . ?
O00V Al0E O011 C053 -5.7(8) . . . . ?
O00V C050 C077 C04V 2.9(13) . . . . ?
O00V C050 C077 C067 -175.6(8) . . . . ?
O00W Al0B O00K Al0D 1.4(3) . . . . ?
O00W Al0B O00K C01W 176.0(6) . . . . ?
O00W Al0B O00S C048 93.4(8) . . . . ?
O00W Al0D O00K Al0B -1.4(3) . . . . ?
O00W Al0D O00K C01W -175.7(7) . . . . ?
O00W Al0D O00R C04C -129.0(8) . . . . ?
O00W C01M C024 O00Z 1.9(12) . . . . ?
O00W C01M C024 C03E -177.8(8) . . . . ?
O00W C01M C02J C054 178.4(9) . . . . ?
O00X Al0D O00K Al0B 173.4(3) . . . . ?
O00X Al0D O00K C01W -0.9(7) . . . . ?
O00X Al0D O00R C04C 55.5(8) . . . . ?
O00X C03Q C06E C05D 10.2(18) . . . . ?
O00X C03Q C06E C084 -167.9(12) . . . . ?
O00Y Al0C O00J Al0D -47.5(5) . . . . ?
O00Y Al0C O00J C02P 106.2(6) . . . . ?
O00Y Al0C O00N C01U 103.5(5) . . . . ?
O00Y Al0C O019 C03W -126.7(6) . . . . ?
O00Y C02O C04T C05V -179.3(10) . . . . ?
O00Z Al0F O012 C059 -119.8(8) . . . . ?
O00Z Al0F O017 C03A 100.4(8) . . . . ?
O00Z C024 C03E C06I 178.8(10) . . . . ?
O010 Al0G O011 Al0E -91.9(3) . . . . ?
O010 Al0G O011 C053 97.1(7) . . . . ?
O010 Al0G O014 Al0E 84.9(4) . . . . ?
O010 Al0G O014 C02Y -88.5(9) . . . . ?
O010 Al0G O018 C05U 149.4(8) . . . . ?
O010 Al0G O01J C08D -29.1(12) . . . . ?
O010 Al0H O016 C04L 41.5(10) . . . . ?
O010 Al0H O01E C06K -5.5(7) . . . . ?
O010 Al0H O01N C05F -72.0(11) . . . . ?
O010 C070 C07M C08D 1.6(18) . . . . ?
O010 C070 C07M C08R 179.7(10) . . . . ?
O011 Al0E O00Q Al0I 73.5(4) . . . . ?
O011 Al0E O00Q C04V -119.5(6) . . . . ?
O011 Al0E O00V C050 123.4(8) . . . . ?
O011 Al0E O014 Al0G -0.4(3) . . . . ?
O011 Al0E O014 C02Y 173.4(8) . . . . ?
O011 Al0G O014 Al0E 0.4(3) . . . . ?
O011 Al0G O014 C02Y -173.1(9) . . . . ?
O011 Al0G O018 C05U -125.7(8) . . . . ?
O011 C053 C058 C07B -178.8(8) . . . . ?
O012 Al0F O00Z C024 118.6(8) . . . . ?
O012 Al0F O017 C03A -158.6(8) . . . . ?
O012 C059 C05D O00U -1.0(13) . . . . ?
O012 C059 C05D C06E -179.8(10) . . . . ?
O012 C059 C08X C092 -179.5(13) . . . . ?
O013 Al0G O011 Al0E 84.6(3) . . . . ?
O013 Al0G O011 C053 -86.4(7) . . . . ?
O013 Al0G O014 Al0E -91.6(3) . . . . ?
O013 Al0G O014 C02Y 95.0(9) . . . . ?
O013 Al0G O018 C05U -34.6(9) . . . . ?
O013 Al0G O01J C08D 155.0(12) . . . . ?
O013 Al0I O01L C07O 44.4(11) . . . . ?
O013 Al0I O020 C05J -74.0(10) . . . . ?
O013 Al0I O028 C07F -4.4(10) . . . . ?
O013 C072 C07F O028 0.4(16) . . . . ?
O013 C072 C07F C08M -179.4(12) . . . . ?
O014 Al0E O00Q Al0I -3.8(4) . . . . ?
O014 Al0E O00Q C04V 163.2(6) . . . . ?
O014 Al0E O00T C05K 119.1(8) . . . . ?
O014 Al0E O011 Al0G 0.4(3) . . . . ?
O014 Al0E O011 C053 171.2(8) . . . . ?
O014 Al0G O011 Al0E -0.4(3) . . . . ?
O014 Al0G O011 C053 -171.4(7) . . . . ?
O014 Al0G O01J C08D -119.5(12) . . . . ?
O014 C02Y C04S C089 178.7(11) . . . . ?
O014 C02Y C07O O01L -0.2(15) . . . . ?
O014 C02Y C07O C07G -178.9(9) . . . . ?
O015 C02U C06R C04X 171.1(9) . . . . ?
O015 C02U C06R C06W -11.1(15) . . . . ?
O016 Al0H O01E C06K -114.2(8) . . . . ?
O016 Al0H O01N C05F 111.6(9) . . . . ?
O016 C04L C053 O011 -1.7(13) . . . . ?
O016 C04L C053 C058 -179.7(8) . . . . ?
O016 C04L C073 C08P 179.1(9) . . . . ?
O017 Al0F O00Z C024 -150.3(8) . . . . ?
O017 Al0F O012 C059 133.5(8) . . . . ?
O017 C03A C04X O00M -3.1(14) . . . . ?
O017 C03A C04X C06R 175.8(9) . . . . ?
O017 C03A C08N C07T -178.0(12) . . . . ?
O018 Al0G O011 Al0E 176.2(3) . . . . ?
O018 Al0G O011 C053 5.2(8) . . . . ?
O018 Al0G O01J C08D 63.3(12) . . . . ?
O018 C05U C06J C072 2.0(15) . . . . ?
O018 C05U C06J C082 -177.1(10) . . . . ?
O019 Al0C O00J Al0D -144.2(4) . . . . ?
O019 Al0C O00J C02P 9.5(5) . . . . ?
O019 Al0C O00N C01U -157.7(5) . . . . ?
O019 Al0C O00Y C02O 108.9(8) . . . . ?
C01A P006 C04A C05W -130.9(8) . . . . ?
C01A P006 C04A C06T 45.7(9) . . . . ?
C01A P006 C05A C06B 73.8(8) . . . . ?
C01A P006 C05A C08L -115.7(8) . . . . ?
C01A C01K C02Z C04W -4.1(12) . . . . ?
C01A C01K C02Z C062 174.8(8) . . . . ?
C01A C01K C031 C03R 77.4(11) . . . . ?
C01A C01K C031 C05I -105.0(9) . . . . ?
C01A C02K C041 C04W -2.6(15) . . . . ?
C01B P007 C01Q C02Q 52.0(8) . . . . ?
C01B P007 C01Q C032 -134.6(6) . . . . ?
C01B P007 C025 C044 -125.6(7) . . . . ?
C01B P007 C025 C051 51.8(9) . . . . ?
C01B C033 C03B C06P 0.1(14) . . . . ?
C01B C04R C07Q C06P 1.2(16) . . . . ?
O01C C050 C077 C04V -177.3(9) . . . . ?
O01C C050 C077 C067 4.2(14) . . . . ?
O01E Al0H O016 C04L 128.6(9) . . . . ?
O01E Al0H O01N C05F -146.4(9) . . . . ?
O01E C06K C070 O010 1.8(13) . . . . ?
O01E C06K C070 C07M -176.8(9) . . . . ?
O01E C06K C08A C095 177.7(10) . . . . ?
O01F C05U C06J C072 -174.9(10) . . . . ?
O01F C05U C06J C082 6.0(15) . . . . ?
C01G P008 C01Z C05H 37.1(9) . . . . ?
C01G P008 C01Z C06F -145.2(8) . . . . ?
C01G P008 C02B C04N 102.2(7) . . . . ?
C01G P008 C02B C06Y -84.9(8) . . . . ?
C01G C02R C03C C02M -3.8(11) . . . . ?
C01G C02R C03C C06O 177.5(8) . . . . ?
C01G C02R C04E C01V 77.3(10) . . . . ?
C01G C02R C04E C03U -104.3(9) . . . . ?
C01G C03Y C04H C02M -3.0(12) . . . . ?
C01H P005 C03G C03I 46.4(9) . . . . ?
C01H P005 C03G C04G -133.0(7) . . . . ?
C01H P005 C03K C038 119.7(8) . . . . ?
C01H P005 C03K C07W -60.4(10) . . . . ?
C01I C023 C05G C05N -0.5(15) . . . . ?
C01I C02T C03Z C032 2.8(13) . . . . ?
C01I C02T C05X C05N -1.9(14) . . . . ?
O01J Al0G O014 Al0E 176.6(4) . . . . ?
O01J Al0G O014 C02Y 3.1(9) . . . . ?
O01J Al0G O018 C05U 57.7(9) . . . . ?
C01K C01A C02K C041 2.6(13) . . . . ?
C01K C02Z C04W C041 4.2(13) . . . . ?
C01K C02Z C04W C049 -176.6(9) . . . . ?
C01K C02Z C062 C06Z 179.0(9) . . . . ?
C01K C031 C03R P009 -5.7(12) . . . . ?
C01K C031 C03R C034 -178.2(8) . . . . ?
C01K C031 C05I C057 -179.8(8) . . . . ?
C01K C031 C05I C06M -1.7(12) . . . . ?
O01L Al0I O020 C05J 109.8(9) . . . . ?
O01L Al0I O028 C07F -112.6(10) . . . . ?
C01M C024 C03E C06I -1.5(15) . . . . ?
C01M C02J C054 C06I 0.2(16) . . . . ?
O01N Al0H O016 C04L -140.7(9) . . . . ?
O01N Al0H O01E C06K 140.0(8) . . . . ?
O01N C05F C07N C08J -180.0(14) . . . . ?
C01O P004 C02F C026 -139.9(6) . . . . ?
C01O P004 C02F C029 47.1(8) . . . . ?
C01O P004 C04I C05O -110.6(7) . . . . ?
C01O P004 C04I C07K 65.6(9) . . . . ?
C01O C03J C052 C02I 0.5(14) . . . . ?
C01P C01U C03P C043 1.5(12) . . . . ?
C01P C02G C048 O00S -1.9(12) . . . . ?
C01P C02G C048 O01D 178.2(8) . . . . ?
C01P C02G C04F C043 -0.5(12) . . . . ?
C01Q P007 C01B C033 41.4(8) . . . . ?
C01Q P007 C01B C04R -140.6(7) . . . . ?
C01Q P007 C025 C044 121.9(7) . . . . ?
C01Q P007 C025 C051 -60.7(9) . . . . ?
C01Q C032 C03Z C02T -1.8(14) . . . . ?
O01R C04C C04O C02P -171.5(9) . . . . ?
O01R C04C C04O C078 9.1(15) . . . . ?
C01S C021 C02C C01H -2.1(12) . . . . ?
C01S C021 C02C C029 177.6(7) . . . . ?
C01S C021 C03D C03M 0.8(14) . . . . ?
C01S C02V C03X C01H -1.2(14) . . . . ?
C01S C05E C06Q C03M -0.1(17) . . . . ?
C01T C03F C040 C04D 180.0(7) . . . . ?
C01U C01P C02G C048 -176.9(7) . . . . ?
C01U C01P C02G C04F 2.1(11) . . . . ?
C01U C03P C043 C04F 0.1(12) . . . . ?
C01V P00A C02D C042 -129.8(7) . . . . ?
C01V P00A C02D C085 55.7(10) . . . . ?
C01V P00A C03H C063 145.3(7) . . . . ?
C01V P00A C03H C06V -40.6(10) . . . . ?
C01V C037 C056 C04M -1.2(15) . . . . ?
C01W C02O C04T C05V -0.9(16) . . . . ?
C01W C04U C06U C05V 2.8(19) . . . . ?
C01X C027 C030 C03N -1.2(11) . . . . ?
C01X C02N C04J C04D -0.7(12) . . . . ?
C01X C03F C040 C04D 0.5(11) . . . . ?
C01Z P008 C01G C02R 55.1(7) . . . . ?
C01Z P008 C01G C03Y -134.8(6) . . . . ?
C01Z P008 C02B C04N -147.1(7) . . . . ?
C01Z P008 C02B C06Y 25.9(9) . . . . ?
C01Z C05H C074 C060 1.9(17) . . . . ?
C01Z C06F C06S C060 -3(2) . . . . ?
O020 Al0I O01L C07O -137.9(10) . . . . ?
O020 Al0I O028 C07F 140.0(10) . . . . ?
O020 C05J C07J C07P 178.4(12) . . . . ?
C021 C01S C02V C03X 0.6(13) . . . . ?
C021 C01S C05E C06Q -1.2(15) . . . . ?
C021 C03D C03M C06Q -2.1(16) . . . . ?
C023 C01I C02Q C01Q 174.7(8) . . . . ?
C023 C01I C02Q C01T 3.0(11) . . . . ?
C023 C01I C02T C03Z -177.8(8) . . . . ?
C023 C01I C02T C05X -1.5(12) . . . . ?
C023 C05G C05N C05X -2.8(17) . . . . ?
C024 C01M C02J C054 -2.3(14) . . . . ?
C024 C03E C06I C054 -0.5(17) . . . . ?
C025 P007 C01B C033 -69.0(7) . . . . ?
C025 P007 C01B C04R 109.1(7) . . . . ?
C025 P007 C01Q C02Q 160.1(7) . . . . ?
C025 P007 C01Q C032 -26.4(7) . . . . ?
C025 C044 C064 C07X 2.0(15) . . . . ?
C025 C051 C08V C07X 0.2(17) . . . . ?
C026 C02H C04Q C04Y 2.2(14) . . . . ?
C026 C02H C04Q C05Y -176.5(9) . . . . ?
C027 C01X C02N C04J -178.9(7) . . . . ?
C027 C01X C03F C01T -0.5(10) . . . . ?
C027 C01X C03F C040 179.0(7) . . . . ?
C027 C030 C03N P003 -177.9(6) . . . . ?
C027 C030 C03N C01T -3.2(11) . . . . ?
O028 Al0I O01L C07O 131.7(11) . . . . ?
O028 Al0I O020 C05J -146.9(9) . . . . ?
O028 C07F C08M C080 179.4(13) . . . . ?
O02A C03Q C06E C05D -163.8(12) . . . . ?
O02A C03Q C06E C084 18.1(19) . . . . ?
C02B P008 C01G C02R 162.4(6) . . . . ?
C02B P008 C01G C03Y -27.5(6) . . . . ?
C02B P008 C01Z C05H -74.7(8) . . . . ?
C02B P008 C01Z C06F 103.1(9) . . . . ?
C02B C04N C06C C05Q 0.1(17) . . . . ?
C02B C06Y C07V C05Q -2.1(18) . . . . ?
C02C C01H C03X C02V 0.0(13) . . . . ?
C02C C021 C03D C03M 179.6(9) . . . . ?
C02C C029 C02F P004 -4.2(11) . . . . ?
C02C C029 C02F C026 -177.1(7) . . . . ?
C02C C029 C04Y C046 -4.4(12) . . . . ?
C02C C029 C04Y C04Q 177.0(7) . . . . ?
C02D P00A C01V C037 -137.0(7) . . . . ?
C02D P00A C01V C04E 51.5(8) . . . . ?
C02D P00A C03H C063 -102.6(8) . . . . ?
C02D P00A C03H C06V 71.5(10) . . . . ?
C02D C042 C076 C090 -0.4(19) . . . . ?
C02D C085 C094 C090 2(2) . . . . ?
C02E P009 C03R C031 159.5(7) . . . . ?
C02E P009 C03R C034 -27.9(7) . . . . ?
C02E P009 C05S C075 -75.8(8) . . . . ?
C02E P009 C05S C07C 100.6(8) . . . . ?
C02E C03S C07R C08K 1.1(18) . . . . ?
C02E C04B C08W C08K 1.8(19) . . . . ?
C02F P004 C01O C03J -127.8(6) . . . . ?
C02F P004 C01O C04K 51.8(8) . . . . ?
C02F P004 C04I C05O 137.9(7) . . . . ?
C02F P004 C04I C07K -45.9(9) . . . . ?
C02F C026 C02H C04Q -2.4(14) . . . . ?
C02F C029 C02C C01H 75.7(11) . . . . ?
C02F C029 C02C C021 -104.0(9) . . . . ?
C02F C029 C04Y C046 174.1(8) . . . . ?
C02F C029 C04Y C04Q -4.6(12) . . . . ?
C02G C01P C01U O00N 177.7(6) . . . . ?
C02G C01P C01U C03P -2.6(11) . . . . ?
C02H C026 C02F P004 -174.4(7) . . . . ?
C02H C026 C02F C029 -1.0(13) . . . . ?
C02H C04Q C04Y C029 1.3(13) . . . . ?
C02H C04Q C04Y C046 -177.4(8) . . . . ?
C02H C04Q C05Y C06A 177.3(9) . . . . ?
C02I C03O C04K C01O 0.2(14) . . . . ?
C02J C01M C024 O00Z -177.4(8) . . . . ?
C02J C01M C024 C03E 2.9(13) . . . . ?
C02J C054 C06I C03E 1.2(18) . . . . ?
C02K C01A C01K C02Z 0.7(11) . . . . ?
C02K C01A C01K C031 179.0(7) . . . . ?
C02K C041 C04W C02Z -0.9(15) . . . . ?
C02K C041 C04W C049 180.0(10) . . . . ?
C02L P003 C02S C036 -116.7(6) . . . . ?
C02L P003 C02S C06N 60.5(8) . . . . ?
C02L P003 C03N C01T 54.3(7) . . . . ?
C02L P003 C03N C030 -131.3(6) . . . . ?
C02L C03T C07L C047 -1.5(15) . . . . ?
C02L C061 C07S C047 3.5(18) . . . . ?
C02M C03C C06O C06D -1.0(14) . . . . ?
C02M C05P C07A C06D -1.8(17) . . . . ?
C02N C01X C027 C030 -178.0(7) . . . . ?
C02N C01X C03F C01T -179.5(6) . . . . ?
C02N C01X C03F C040 0.0(10) . . . . ?
C02O C01W C04U C06U -2.3(15) . . . . ?
C02O C04T C05V C06U 1.5(19) . . . . ?
C02P C04O C078 C03V -0.4(15) . . . . ?
C02Q C01I C023 C05G -174.2(8) . . . . ?
C02Q C01I C02T C03Z -0.9(12) . . . . ?
C02Q C01I C02T C05X 175.4(8) . . . . ?
C02Q C01Q C032 C03Z -1.3(13) . . . . ?
C02Q C01T C03F C01X 172.7(6) . . . . ?
C02Q C01T C03F C040 -6.8(10) . . . . ?
C02Q C01T C03N P003 3.8(9) . . . . ?
C02Q C01T C03N C030 -170.6(6) . . . . ?
C02R C01G C03Y C04H 3.6(11) . . . . ?
C02R C03C C06O C06D 177.7(9) . . . . ?
C02S P003 C02L C03T -66.0(8) . . . . ?
C02S P003 C02L C061 107.7(7) . . . . ?
C02S P003 C03N C01T 159.3(6) . . . . ?
C02S P003 C03N C030 -26.3(6) . . . . ?
C02S C036 C03L C06G -0.7(13) . . . . ?
C02T C01I C023 C05G 2.6(12) . . . . ?
C02T C01I C02Q C01Q -2.1(11) . . . . ?
C02T C01I C02Q C01T -173.8(7) . . . . ?
C02U C06R C06W C07T 179.5(12) . . . . ?
C02V C01S C021 C02C 1.0(12) . . . . ?
C02V C01S C021 C03D 179.9(8) . . . . ?
C02V C01S C05E C06Q 179.8(10) . . . . ?
C02X C03V C078 C04O 0.7(17) . . . . ?
C02Y C04S C089 C07I 2(2) . . . . ?
C02Z C01K C031 C03R -104.3(9) . . . . ?
C02Z C01K C031 C05I 73.2(10) . . . . ?
C02Z C062 C06Z C055 -1.7(16) . . . . ?
C031 C01K C02Z C04W 177.6(7) . . . . ?
C031 C01K C02Z C062 -3.5(12) . . . . ?
C031 C05I C06M C088 -178.2(9) . . . . ?
C032 C01Q C02Q C01I 3.2(11) . . . . ?
C032 C01Q C02Q C01T 174.5(7) . . . . ?
C033 C01B C04R C07Q -1.6(14) . . . . ?
C033 C03B C06P C07Q -0.5(16) . . . . ?
C035 C05C C05K O00T -2.9(14) . . . . ?
C035 C05C C05K O01Y 179.8(9) . . . . ?
C035 C05C C05R C08J 2.6(19) . . . . ?
C035 C05F C07N C08J 3(2) . . . . ?
C036 C02S C06N C066 -2.3(12) . . . . ?
C036 C03L C06G C066 -0.6(14) . . . . ?
C037 C01V C04E C02R -172.6(8) . . . . ?
C037 C01V C04E C03U 9.0(12) . . . . ?
C038 C03K C07W C08Y -0.6(18) . . . . ?
C03A C04X C06R C02U -177.2(10) . . . . ?
C03A C04X C06R C06W 4.9(16) . . . . ?
C03B C06P C07Q C04R -0.2(16) . . . . ?
C03C C02M C04H C03Y -1.0(13) . . . . ?
C03C C02M C05P C07A -1.9(14) . . . . ?
C03C C02R C04E C01V -101.0(10) . . . . ?
C03C C02R C04E C03U 77.3(9) . . . . ?
C03D C021 C02C C01H 179.0(8) . . . . ?
C03D C021 C02C C029 -1.3(12) . . . . ?
C03D C03M C06Q C05E 1.8(17) . . . . ?
C03F C01T C02Q C01I 71.5(9) . . . . ?
C03F C01T C02Q C01Q -100.0(8) . . . . ?
C03F C01T C03N P003 -180.0(5) . . . . ?
C03F C01T C03N C030 5.7(10) . . . . ?
C03F C01X C027 C030 3.0(11) . . . . ?
C03F C01X C02N C04J 0.1(11) . . . . ?
C03F C040 C04D C04J -1.1(13) . . . . ?
C03G P005 C01H C02C 53.2(7) . . . . ?
C03G P005 C01H C03X -133.6(7) . . . . ?
C03G P005 C03K C038 -129.1(8) . . . . ?
C03G P005 C03K C07W 50.9(10) . . . . ?
C03G C03I C06X C05Z 3.6(18) . . . . ?
C03G C04G C08B C05Z -1.2(17) . . . . ?
C03H P00A C01V C037 -31.4(8) . . . . ?
C03H P00A C01V C04E 157.1(7) . . . . ?
C03H P00A C02D C042 121.7(8) . . . . ?
C03H P00A C02D C085 -52.8(10) . . . . ?
C03H C063 C07D C068 -1.0(16) . . . . ?
C03H C06V C08H C068 1(2) . . . . ?
C03I C03G C04G C08B 2.1(15) . . . . ?
C03J C01O C04K C03O 0.4(13) . . . . ?
C03K P005 C01H C02C 162.8(7) . . . . ?
C03K P005 C01H C03X -24.0(8) . . . . ?
C03K P005 C03G C03I -63.3(9) . . . . ?
C03K P005 C03G C04G 117.3(7) . . . . ?
C03K C038 C07Y C07E 5(2) . . . . ?
C03K C07W C08Y C07E 4(2) . . . . ?
C03N P003 C02L C03T 40.7(8) . . . . ?
C03N P003 C02L C061 -145.6(7) . . . . ?
C03N P003 C02S C036 135.0(6) . . . . ?
C03N P003 C02S C06N -47.8(7) . . . . ?
C03N C01T C02Q C01I -112.1(8) . . . . ?
C03N C01T C02Q C01Q 76.4(10) . . . . ?
C03N C01T C03F C01X -3.8(10) . . . . ?
C03N C01T C03F C040 176.7(7) . . . . ?
C03O C02I C052 C03J 0.1(14) . . . . ?
C03P C043 C04F C02G -0.6(13) . . . . ?
C03Q C06E C084 C092 -177.0(14) . . . . ?
C03R P009 C02E C03S 138.8(7) . . . . ?
C03R P009 C02E C04B -48.0(9) . . . . ?
C03R P009 C05S C075 32.5(8) . . . . ?
C03R P009 C05S C07C -151.1(7) . . . . ?
C03R C031 C05I C057 -2.3(12) . . . . ?
C03R C031 C05I C06M 175.9(9) . . . . ?
C03R C034 C071 C057 -0.8(15) . . . . ?
C03S C02E C04B C08W 2.4(16) . . . . ?
C03S C07R C08K C08W 3.1(19) . . . . ?
C03T C02L C061 C07S -1.4(14) . . . . ?
C03U C045 C07H C081 0.0(18) . . . . ?
C03U C04M C056 C037 3.7(14) . . . . ?
C03U C04M C083 C081 0.7(15) . . . . ?
C03V C02X C03W O019 -178.6(9) . . . . ?
C03V C02X C03W C02P -1.0(14) . . . . ?
C03W C02P C04O C04C 180.0(8) . . . . ?
C03W C02P C04O C078 -0.6(13) . . . . ?
C03W C02X C03V C078 0.0(16) . . . . ?
C03X C01H C02C C021 1.6(11) . . . . ?
C03X C01H C02C C029 -178.1(7) . . . . ?
C03Y C01G C02R C03C -0.1(10) . . . . ?
C03Y C01G C02R C04E -178.5(7) . . . . ?
C03Z C02T C05X C05N 174.4(10) . . . . ?
C040 C04D C04J C02N 1.2(13) . . . . ?
C042 C02D C085 C094 -1.0(19) . . . . ?
C042 C076 C090 C094 1(2) . . . . ?
C044 C025 C051 C08V 2.2(15) . . . . ?
C044 C064 C07X C08V 0.5(17) . . . . ?
C045 C03U C04E C01V 171.6(8) . . . . ?
C045 C03U C04E C02R -6.9(13) . . . . ?
C045 C03U C04M C056 -178.1(9) . . . . ?
C045 C03U C04M C083 0.8(13) . . . . ?
C045 C07H C081 C083 1.6(18) . . . . ?
C046 C05L C06A C05Y 0.6(17) . . . . ?
C048 C02G C04F C043 178.5(8) . . . . ?
C049 C055 C06Z C062 3.2(18) . . . . ?
C04A P006 C01A C01K 50.5(8) . . . . ?
C04A P006 C01A C02K -134.4(7) . . . . ?
C04A P006 C05A C06B -176.8(7) . . . . ?
C04A P006 C05A C08L -6.4(8) . . . . ?
C04A C05W C08F C087 3.9(18) . . . . ?
C04A C06T C08U C087 4.8(17) . . . . ?
C04B C02E C03S C07R -3.8(15) . . . . ?
C04C C04O C078 C03V 179.0(10) . . . . ?
C04E C01V C037 C056 -5.4(14) . . . . ?
C04E C02R C03C C02M 174.6(7) . . . . ?
C04E C02R C03C C06O -4.1(11) . . . . ?
C04E C03U C045 C07H -179.5(10) . . . . ?
C04E C03U C04M C056 0.2(13) . . . . ?
C04E C03U C04M C083 179.2(8) . . . . ?
C04F C02G C048 O00S 179.2(8) . . . . ?
C04F C02G C048 O01D -0.7(13) . . . . ?
C04G C03G C03I C06X -3.3(15) . . . . ?
C04H C02M C03C C02R 4.4(12) . . . . ?
C04H C02M C03C C06O -176.9(8) . . . . ?
C04H C02M C05P C07A 178.2(9) . . . . ?
C04I P004 C01O C03J 121.7(7) . . . . ?
C04I P004 C01O C04K -58.7(8) . . . . ?
C04I P004 C02F C026 -31.7(7) . . . . ?
C04I P004 C02F C029 155.3(7) . . . . ?
C04I C05O C05T C079 0.6(18) . . . . ?
C04K C01O C03J C052 -0.7(12) . . . . ?
C04L C053 C058 C07B -0.9(14) . . . . ?
C04L C073 C08P C07B 2.2(17) . . . . ?
C04M C03U C045 C07H -1.2(15) . . . . ?
C04M C03U C04E C01V -6.6(13) . . . . ?
C04M C03U C04E C02R 174.9(8) . . . . ?
C04N C02B C06Y C07V 0.6(14) . . . . ?
C04O C02P C03W O019 179.2(8) . . . . ?
C04O C02P C03W C02X 1.3(13) . . . . ?
C04Q C05Y C06A C05L 0.4(16) . . . . ?
C04R C01B C033 C03B 0.9(12) . . . . ?
C04S C02Y C07O O01L -179.3(10) . . . . ?
C04S C02Y C07O C07G 2.0(16) . . . . ?
C04T C05V C06U C04U -2(2) . . . . ?
C04U C01W C02O O00Y 179.6(8) . . . . ?
C04U C01W C02O C04T 1.3(14) . . . . ?
C04V C05J C07J C07P 2.2(17) . . . . ?
C04W C02Z C062 C06Z -2.0(14) . . . . ?
C04W C049 C055 C06Z -0.7(19) . . . . ?
C04X C03A C08N C07T 3.1(19) . . . . ?
C04X C06R C06W C07T -2.6(18) . . . . ?
C04Y C029 C02C C01H -105.9(9) . . . . ?
C04Y C029 C02C C021 74.4(10) . . . . ?
C04Y C029 C02F P004 177.4(6) . . . . ?
C04Y C029 C02F C026 4.5(12) . . . . ?
C04Y C046 C05L C06A -0.6(17) . . . . ?
C04Y C04Q C05Y C06A -1.3(15) . . . . ?
C051 C025 C044 C064 -3.3(14) . . . . ?
C052 C02I C03O C04K -0.5(15) . . . . ?
C053 C04L C073 C08P -0.4(14) . . . . ?
C053 C058 C07B C08P 2.7(16) . . . . ?
C055 C049 C04W C02Z -3.1(17) . . . . ?
C055 C049 C04W C041 176.0(11) . . . . ?
C056 C04M C083 C081 179.6(10) . . . . ?
C057 C05I C06M C088 0.0(14) . . . . ?
C057 C065 C08Q C088 0.6(19) . . . . ?
C058 C07B C08P C073 -3.3(18) . . . . ?
C059 C05D C06E C03Q 178.3(10) . . . . ?
C059 C05D C06E C084 -3.5(16) . . . . ?
C059 C08X C092 C084 3(2) . . . . ?
C05A P006 C01A C01K 158.6(7) . . . . ?
C05A P006 C01A C02K -26.3(8) . . . . ?
C05A P006 C04A C05W 117.3(8) . . . . ?
C05A P006 C04A C06T -66.1(8) . . . . ?
C05A C06B C08I C08C -3.2(18) . . . . ?
C05C C035 C05F O01N -179.8(10) . . . . ?
C05C C035 C05F C07N -2.4(19) . . . . ?
C05C C05R C08J C07N -2(2) . . . . ?
C05D C059 C08X C092 -1(2) . . . . ?
C05D C06E C084 C092 5(2) . . . . ?
C05E C01S C021 C02C -178.0(8) . . . . ?
C05E C01S C021 C03D 0.9(13) . . . . ?
C05E C01S C02V C03X 179.6(9) . . . . ?
C05F C035 C05C C05K -178.1(10) . . . . ?
C05F C035 C05C C05R -0.3(16) . . . . ?
C05F C07N C08J C05R -1(3) . . . . ?
C05G C05N C05X C02T 4.0(16) . . . . ?
C05H C01Z C06F C06S 1.1(17) . . . . ?
C05I C031 C03R P009 176.8(6) . . . . ?
C05I C031 C03R C034 4.3(12) . . . . ?
C05I C057 C065 C08Q -1.7(15) . . . . ?
C05I C057 C071 C034 2.9(15) . . . . ?
C05I C06M C088 C08Q -1.1(18) . . . . ?
C05J C04V C077 C050 -179.8(9) . . . . ?
C05J C04V C077 C067 -1.3(13) . . . . ?
C05J C07J C07P C067 -1.5(19) . . . . ?
C05K C05C C05R C08J -179.6(12) . . . . ?
C05L C046 C04Y C029 -179.0(9) . . . . ?
C05L C046 C04Y C04Q -0.3(14) . . . . ?
C05O C04I C07K C04P 4.0(16) . . . . ?
C05O C05T C079 C04P 0(2) . . . . ?
C05P C02M C03C C02R -175.5(8) . . . . ?
C05P C02M C03C C06O 3.2(12) . . . . ?
C05P C02M C04H C03Y 178.9(8) . . . . ?
C05R C05C C05K O00T 179.3(10) . . . . ?
C05R C05C C05K O01Y 2.1(15) . . . . ?
C05S P009 C02E C03S -111.5(8) . . . . ?
C05S P009 C02E C04B 61.7(9) . . . . ?
C05S P009 C03R C031 55.6(8) . . . . ?
C05S P009 C03R C034 -131.8(7) . . . . ?
C05S C07C C08O C06H 1.1(18) . . . . ?
C05U C06J C072 O013 1.7(17) . . . . ?
C05U C06J C072 C07F -179.6(11) . . . . ?
C05U C06J C082 C080 177.3(12) . . . . ?
C05W C04A C06T C08U -3.9(15) . . . . ?
C05X C02T C03Z C032 -173.4(9) . . . . ?
C05Y C04Q C04Y C029 179.9(8) . . . . ?
C05Y C04Q C04Y C046 1.2(13) . . . . ?
C061 C02L C03T C07L 0.4(12) . . . . ?
C062 C02Z C04W C041 -174.8(9) . . . . ?
C062 C02Z C04W C049 4.4(13) . . . . ?
C063 C03H C06V C08H 0.8(18) . . . . ?
C064 C07X C08V C051 -1.5(18) . . . . ?
C065 C057 C05I C031 179.6(8) . . . . ?
C065 C057 C05I C06M 1.4(13) . . . . ?
C065 C057 C071 C034 -178.1(10) . . . . ?
C069 C06H C08O C07C 1.1(19) . . . . ?
C06B C05A C08L C08E -2.5(15) . . . . ?
C06C C05Q C07V C06Y 2.5(19) . . . . ?
C06E C084 C092 C08X -4(2) . . . . ?
C06F C01Z C05H C074 -0.4(15) . . . . ?
C06G C066 C06N C02S 1.2(13) . . . . ?
C06H C069 C075 C05S 1.7(16) . . . . ?
C06J C072 C07F O028 -178.5(11) . . . . ?
C06J C072 C07F C08M 2(2) . . . . ?
C06K C070 C07M C08D -180.0(11) . . . . ?
C06K C070 C07M C08R -1.9(16) . . . . ?
C06K C08A C095 C08R 0.0(19) . . . . ?
C06M C088 C08Q C065 1(2) . . . . ?
C06N C02S C036 C03L 2.1(12) . . . . ?
C06N C066 C06G C03L 0.3(14) . . . . ?
C06O C06D C07A C05P 4(2) . . . . ?
C06R C06W C07T C08N 1(2) . . . . ?
C06S C060 C074 C05H -4.0(19) . . . . ?
C06T C04A C05W C08F -0.5(15) . . . . ?
C06V C03H C063 C07D -0.6(15) . . . . ?
C06W C07T C08N C03A -1(2) . . . . ?
C06X C05Z C08B C04G 1.5(19) . . . . ?
C06Y C02B C04N C06C 0.3(15) . . . . ?
C070 C06K C08A C095 -0.9(16) . . . . ?
C070 C07M C08D O01J 7.5(18) . . . . ?
C070 C07M C08D C07Z -171.9(14) . . . . ?
C070 C07M C08R C095 1.0(19) . . . . ?
C071 C034 C03R P009 -176.1(8) . . . . ?
C071 C034 C03R C031 -2.9(13) . . . . ?
C071 C057 C05I C031 -1.4(13) . . . . ?
C071 C057 C05I C06M -179.6(9) . . . . ?
C071 C057 C065 C08Q 179.3(11) . . . . ?
C072 C06J C082 C080 -1.8(18) . . . . ?
C072 C07F C08M C080 -1(2) . . . . ?
C073 C04L C053 O011 177.8(7) . . . . ?
C073 C04L C053 C058 -0.2(13) . . . . ?
C074 C060 C06S C06F 5(2) . . . . ?
C075 C05S C07C C08O -1.9(15) . . . . ?
C075 C069 C06H C08O -2.4(18) . . . . ?
C076 C090 C094 C085 -2(2) . . . . ?
C077 C04V C05J O020 -177.4(9) . . . . ?
C077 C04V C05J C07J -0.7(15) . . . . ?
C077 C067 C07P C07J -0.6(19) . . . . ?
C079 C04P C07K C04I -3.5(18) . . . . ?
C07A C06D C06O C03C -2.7(18) . . . . ?
C07C C05S C075 C069 0.4(14) . . . . ?
C07D C068 C08H C06V -2(2) . . . . ?
C07G C07I C089 C04S -2(2) . . . . ?
C07H C081 C083 C04M -1.9(17) . . . . ?
C07I C07G C07O O01L 179.7(13) . . . . ?
C07I C07G C07O C02Y -1.6(19) . . . . ?
C07K C04I C05O C05T -2.5(15) . . . . ?
C07K C04P C079 C05T 1(2) . . . . ?
C07L C047 C07S C061 -4(2) . . . . ?
C07M C08R C095 C08A 0(2) . . . . ?
C07O C02Y C04S C089 -2.3(18) . . . . ?
C07O C07G C07I C089 2(2) . . . . ?
C07P C067 C077 C04V 2.0(15) . . . . ?
C07P C067 C077 C050 -179.4(11) . . . . ?
C07R C08K C08W C04B -5(2) . . . . ?
C07S C047 C07L C03T 3.6(18) . . . . ?
C07V C05Q C06C C04N -1.5(18) . . . . ?
C07Y C038 C03K P005 176.4(11) . . . . ?
C07Y C038 C03K C07W -3.5(18) . . . . ?
C07Y C07E C08Y C07W -2(2) . . . . ?
C082 C06J C072 O013 -179.1(10) . . . . ?
C082 C06J C072 C07F -0.4(17) . . . . ?
C082 C080 C08M C07F -1(2) . . . . ?
C083 C04M C056 C037 -175.2(9) . . . . ?
C085 C02D C042 C076 0.3(15) . . . . ?
C08A C06K C070 O010 -179.5(9) . . . . ?
C08A C06K C070 C07M 1.9(15) . . . . ?
C08B C05Z C06X C03I -2.7(19) . . . . ?
C08C C08E C08L C05A -0.6(19) . . . . ?
C08D C07M C08R C095 179.1(13) . . . . ?
C08E C08C C08I C06B 0(2) . . . . ?
C08F C087 C08U C06T -1(2) . . . . ?
C08H C068 C07D C063 2.3(18) . . . . ?
C08I C08C C08E C08L 2(2) . . . . ?
C08L C05A C06B C08I 4.4(15) . . . . ?
C08M C080 C082 C06J 3(2) . . . . ?
C08N C03A C04X O00M 175.9(10) . . . . ?
C08N C03A C04X C06R -5.3(17) . . . . ?
C08R C07M C08D O01J -170.5(11) . . . . ?
C08R C07M C08D C07Z 10(2) . . . . ?
C08U C087 C08F C05W -3(2) . . . . ?
C08X C059 C05D O00U -179.4(10) . . . . ?
C08X C059 C05D C06E 1.9(16) . . . . ?
C08Y C07E C07Y C038 -2(3) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 -0.203 0.091 0.678 394.8 71.5 ?
2 0.203 0.591 0.322 394.8 72.7 ?
3 0.058 0.279 0.117 8.1 0.6 ?
4 0.203 0.418 0.873 97.7 13.7 ?
5 0.155 0.079 0.302 16.4 0.0 ?
6 0.238 0.940 0.814 252.5 29.6 ?
7 0.233 0.575 0.692 7.2 0.0 ?
8 0.280 0.956 0.323 12.4 0.0 ?
9 0.372 0.930 0.090 14.8 0.0 ?
10 0.762 0.440 0.186 252.5 28.9 ?
11 0.628 0.430 0.910 14.8 0.0 ?
12 0.720 0.456 0.677 12.4 0.0 ?
13 0.797 -0.082 0.127 97.7 13.5 ?
14 0.767 0.075 0.308 7.2 0.0 ?
15 0.845 0.579 0.698 16.4 0.0 ?
16 0.942 0.779 0.883 8.1 0.6 ?

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 5.013
_oxdiff_exptl_absorpt_empirical_full_min 0.418
# start Validation Reply Form
_vrf_PLAT029_AlOC-170s           
;
PROBLEM:  _diffrn_measured_fraction_theta_full value Low .      0.883 Why? 
RESPONSE: This is related to the data set quality since the crystal was poorly 
diffracting at high angle.
# end Validation Reply Form
;
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_AlOC-175
_database_code_depnum_ccdc_archive 'CCDC 2303399'
loop_
_audit_author_name
_audit_author_address
'Fan Yang'
;UCAS
China
;
_audit_update_record             
;
2023-12-08 deposited with the CCDC.	2024-07-17 downloaded from the CCDC.
;
_audit_creation_date             2023-11-03
_audit_creation_method           
;
Olex2 1.5-beta
(compiled 2023.08.24 svn.re1ec1418 for OlexSys, GUI svn.r6817)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C62 H52 Ag2 Al2 O10 P3'
_chemical_formula_sum            'C62 H52 Ag2 Al2 O10 P3'
_chemical_formula_weight         1319.64
_chemical_melting_point          ?
_chemical_oxdiff_formula         'Al Ag C H O N '
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0137 0.0067 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag 0.0782 3.3823 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Al Al 0.1771 0.1873 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0389 0.0241 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2543 0.3332 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'I 1 2/a 1'
_space_group_name_Hall           '-I 2ya'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y, -z'
'x+1/2, y+1/2, z+1/2'
'-x+1, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y, z'
'-x+1/2, -y+1/2, -z+1/2'
'x, -y+1/2, z+1/2'

_cell_length_a                   19.0898(2)
_cell_length_b                   19.1937(2)
_cell_length_c                   30.3739(2)
_cell_angle_alpha                90
_cell_angle_beta                 93.8530(10)
_cell_angle_gamma                90
_cell_volume                     11103.96(18)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    27809
_cell_measurement_temperature    100.0(2)
_cell_measurement_theta_max      60.1300
_cell_measurement_theta_min      2.5340
_shelx_estimated_absorpt_T_max   0.639
_shelx_estimated_absorpt_T_min   0.639
_exptl_absorpt_coefficient_mu    4.918
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.75628
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.115a (Rigaku Oxford Diffraction, 2021)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.579
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             5352
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0330
_diffrn_reflns_av_unetI/netI     0.0276
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.977
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       38
_diffrn_reflns_limit_l_min       -39
_diffrn_reflns_number            41245
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.977
_diffrn_reflns_theta_full        53.543
_diffrn_reflns_theta_max         60.267
_diffrn_reflns_theta_min         2.535
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.0(2)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.977
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -84.00  -8.00   0.50    0.45    --  -78.15  57.00  60.00  152
  2  ω    -71.00  -2.00   0.50    0.45    --  -78.15  37.00 -91.00  138
  3  ω     32.00  65.00   0.50    0.11    --   -0.78  37.00 -91.00   66
  4  ω     -2.00  25.00   0.50    0.11    --   -0.78  37.00 -91.00   54
  5  ω      1.00 107.00   0.50    0.45    --   76.59 -19.00 -60.00  212
  6  ω      3.00  70.00   0.50    0.45    --   76.59 -38.00 -90.00  134
  7  ω     78.00 111.00   0.50    0.45    --   76.59-125.00 120.00   66
  8  ω     20.00  75.00   0.50    0.45    --   76.59-125.00 120.00  110
  9  ω    102.00 128.00   0.50    0.45    --   76.59  37.00 -91.00   52
 10  ω     91.00 136.00   0.50    0.45    --   76.59 125.00 150.00   90
 11  ω     11.00  36.00   0.50    0.45    --   76.59 -37.00 113.00   50
 12  ω     -4.00  37.00   0.50    0.11    --   -0.78 -99.00   0.00   82
 13  ω    -76.00  22.00   0.50    0.11    --   -0.78 -37.00 113.00  196
 14  ω   -148.00-114.00   0.50    0.45    --  -78.15 -99.00  60.00   68
 15  ω   -155.00 -56.00   0.50    0.45    --  -78.15 -37.00 113.00  198
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'ROD, Synergy Custom system, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0544135000
_diffrn_orient_matrix_UB_12      0.0328187000
_diffrn_orient_matrix_UB_13      -0.0210419000
_diffrn_orient_matrix_UB_21      -0.0306212000
_diffrn_orient_matrix_UB_22      0.0065101000
_diffrn_orient_matrix_UB_23      0.0381835000
_diffrn_orient_matrix_UB_31      0.0323290000
_diffrn_orient_matrix_UB_32      0.0612339000
_diffrn_orient_matrix_UB_33      0.0071918000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           GaK\a
_diffrn_radiation_wavelength     1.3405
_diffrn_source                   'micro-focus metaljet'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                11083
_reflns_number_total             12352
_reflns_odcompleteness_completeness 99.79
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     56.82
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.41.115a (Rigaku OD, 2021)'
_computing_data_collection       'CrysAlisPro 1.171.41.115a (Rigaku OD, 2021)'
_computing_data_reduction        'CrysAlisPro 1.171.41.115a (Rigaku OD, 2021)'
_computing_molecular_graphics    'Olex2 1.5-beta (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5-beta (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         1.280
_refine_diff_density_min         -0.754
_refine_diff_density_rms         0.089
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     721
_refine_ls_number_reflns         12352
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0401
_refine_ls_R_factor_gt           0.0359
_refine_ls_restrained_S_all      1.026
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0541P)²+27.2168P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0967
_refine_ls_wR_factor_ref         0.0994
_refine_special_details          ?
_olex2_refinement_description    
;
1. Others
 Fixed Sof: Ag02(0.9) Ag1(0.1)
2.a Secondary CH2 refined with riding coordinates:
 C016(H01A,H01B), C019(H01C,H01D), C01B(H01F,H01G), C01C(H01H,H01I), C01D(H01J,
 H01K), C01E(H01L,H01M)
2.b Aromatic/amide H refined with riding coordinates:
 C00O(H00O), C00P(H00P), C00W(H00W), C00X(H00X), C00Y(H00Y), C00Z(H00Z),
 C010(H010), C011(H011), C012(H012), C013(H013), C015(H015), C01A(H01E),
 C01F(H01N), C01G(H01O), C01H(H01P), C01I(H01Q), C01K(H01R), C01L(H01S),
 C01M(H01T), C01N(H01U), C01O(H01V), C01P(H01W), C01Q(H01X), C01R(H01Y),
 C01S(H01Z), C01T(H01), C01U(H0AA), C01V(H1AA), C01W(H2AA), C01X(H3AA),
 C01Y(H4AA), C01Z(H5AA), C020(H020), C021(H021), C022(H022), C023(H023),
 C024(H024), C025(H025), C026(H026), C027(H027)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag01 Ag 0.55080(2) 0.28978(2) 0.40971(2) 0.02136(6) Uani 1 1 d . . . . .
Ag02 Ag 0.50111(2) 0.28565(2) 0.17369(2) 0.03215(7) Uani 0.9 1 d . . P A 2
P003 P 0.47586(3) 0.39183(3) 0.39850(2) 0.02305(13) Uani 1 1 d . . . . .
P004 P 0.57465(4) 0.19657(3) 0.46124(2) 0.02521(13) Uani 1 1 d . . . . .
Al05 Al 0.86470(4) 0.20364(4) 0.19019(2) 0.01938(14) Uani 1 1 d . . . . .
Al06 Al 0.79789(4) 0.30204(4) 0.27084(2) 0.01841(14) Uani 1 1 d . . . . .
P007 P 0.38529(3) 0.25956(4) 0.19519(2) 0.02982(15) Uani 1 1 d . . . . .
O008 O 0.76500(9) 0.19692(9) 0.18204(5) 0.0204(3) Uani 1 1 d . . . . .
O009 O 0.78346(9) 0.20385(8) 0.26620(5) 0.0194(3) Uani 1 1 d . . . . .
O00A O 0.62537(9) 0.21148(9) 0.18881(6) 0.0216(3) Uani 1 1 d . . . . .
O00B O 0.89883(9) 0.14667(9) 0.23143(6) 0.0241(4) Uani 1 1 d . . . . .
O00C O 0.86302(9) 0.15092(9) 0.13902(6) 0.0245(4) Uani 1 1 d . . . . .
O00D O 0.80621(9) 0.39582(9) 0.26978(6) 0.0237(3) Uani 1 1 d . . . . .
O00E O 0.85450(9) 0.28966(8) 0.22207(6) 0.0205(3) Uani 1 1 d . . . . .
O00F O 0.93956(9) 0.24840(9) 0.16835(5) 0.0223(3) Uani 1 1 d . . . . .
O00G O 0.56463(10) 0.22498(10) 0.12517(6) 0.0290(4) Uani 1 1 d . . . . .
O00H O 0.86615(11) 0.49480(11) 0.27256(8) 0.0427(5) Uani 1 1 d . . . . .
C00I C 0.91649(13) 0.40012(13) 0.23629(8) 0.0237(5) Uani 1 1 d . . . . .
C00J C 0.74355(13) 0.16948(12) 0.14180(8) 0.0206(4) Uani 1 1 d . . . . .
C00K C 0.51149(13) 0.47149(13) 0.42333(9) 0.0255(5) Uani 1 1 d . . . . .
C00L C 0.86059(14) 0.43344(13) 0.26191(9) 0.0267(5) Uani 1 1 d . . . . .
C00M C 0.88589(13) 0.13404(12) 0.27331(8) 0.0225(5) Uani 1 1 d . . . . .
C00N C 0.82354(13) 0.15754(12) 0.29097(8) 0.0215(5) Uani 1 1 d . . . . .
C00O C 1.01619(13) 0.34866(14) 0.18024(9) 0.0275(5) Uani 1 1 d . . . . .
H00O H 1.049003 0.332481 0.160399 0.033 Uiso 1 1 calc R . . . .
C00P C 0.55764(14) 0.46576(15) 0.46070(9) 0.0285(5) Uani 1 1 d . . . . .
H00P H 0.569634 0.420961 0.472173 0.034 Uiso 1 1 calc R . . . .
C00Q C 0.67529(13) 0.17066(13) 0.12340(8) 0.0220(5) Uani 1 1 d . . . . .
C00R C 0.79901(13) 0.14295(13) 0.11876(8) 0.0229(5) Uani 1 1 d . . . . .
C00S C 0.58499(14) 0.11065(14) 0.43713(9) 0.0288(5) Uani 1 1 d . . . . .
C00T C 0.61818(13) 0.20405(13) 0.14650(8) 0.0230(5) Uani 1 1 d . . . . .
C00U C 0.90891(12) 0.33457(12) 0.21690(8) 0.0204(4) Uani 1 1 d . . . . .
C00V C 0.38589(13) 0.38695(14) 0.41527(9) 0.0270(5) Uani 1 1 d . . . . .
C00W C 0.49420(15) 0.53728(15) 0.40716(9) 0.0313(6) Uani 1 1 d . . . . .
H00W H 0.462691 0.542099 0.381779 0.038 Uiso 1 1 calc R . . . .
C00X C 0.66147(14) 0.14178(14) 0.08119(8) 0.0261(5) Uani 1 1 d . . . . .
H00X H 0.615070 0.142292 0.067755 0.031 Uiso 1 1 calc R . . . .
C00Y C 0.80772(14) 0.13960(14) 0.33327(8) 0.0268(5) Uani 1 1 d . . . . .
H00Y H 0.764436 0.153977 0.344054 0.032 Uiso 1 1 calc R . . . .
C00Z C 0.78428(14) 0.11318(14) 0.07764(9) 0.0287(5) Uani 1 1 d . . . . .
H00Z H 0.820905 0.093262 0.062083 0.034 Uiso 1 1 calc R . . . .
C010 C 0.97760(14) 0.43804(14) 0.22902(10) 0.0303(6) Uani 1 1 d . . . . .
H010 H 0.985075 0.482022 0.242892 0.036 Uiso 1 1 calc R . . . .
C011 C 1.02675(14) 0.41249(15) 0.20212(10) 0.0315(6) Uani 1 1 d . . . . .
H011 H 1.068323 0.438390 0.198332 0.038 Uiso 1 1 calc R . . . .
C012 C 0.93436(14) 0.09724(14) 0.30138(9) 0.0280(5) Uani 1 1 d . . . . .
H012 H 0.978005 0.083249 0.290941 0.034 Uiso 1 1 calc R . . . .
C013 C 0.58636(14) 0.52484(15) 0.48143(10) 0.0322(6) Uani 1 1 d . . . . .
H013 H 0.618051 0.520496 0.506759 0.039 Uiso 1 1 calc R . . . .
C014 C 0.36000(15) 0.16829(16) 0.19054(10) 0.0340(6) Uani 1 1 d . . . . .
C015 C 0.71545(14) 0.11260(14) 0.05921(9) 0.0287(5) Uani 1 1 d . . . . .
H015 H 0.705424 0.091839 0.031094 0.034 Uiso 1 1 calc R . . . .
C016 C 0.46238(14) 0.40669(14) 0.33950(8) 0.0266(5) Uani 1 1 d . . . . .
H01A H 0.439032 0.452154 0.333735 0.032 Uiso 1 1 calc R . . . .
H01B H 0.508005 0.407104 0.325812 0.032 Uiso 1 1 calc R . . . .
C017 C 0.95717(12) 0.30940(13) 0.18793(8) 0.0220(5) Uani 1 1 d . . . . .
C018 C 0.31089(14) 0.30952(17) 0.17071(9) 0.0313(6) Uani 1 1 d . . . . .
C019 C 0.71942(15) 0.20470(15) 0.48233(10) 0.0323(6) Uani 1 1 d . . . . .
H01C H 0.722133 0.246989 0.463859 0.039 Uiso 1 1 calc R . . . .
H01D H 0.723386 0.163572 0.462988 0.039 Uiso 1 1 calc R . . . .
C01A C 0.61672(16) 0.10524(15) 0.39733(9) 0.0337(6) Uani 1 1 d . . . . .
H01E H 0.631943 0.146155 0.383191 0.040 Uiso 1 1 calc R . . . .
C01B C 0.41614(14) 0.34745(15) 0.32015(9) 0.0292(5) Uani 1 1 d . . . . .
H01F H 0.429173 0.303588 0.335772 0.035 Uiso 1 1 calc R . . . .
H01G H 0.366464 0.357637 0.325175 0.035 Uiso 1 1 calc R . . . .
C01C C 0.64848(15) 0.20300(16) 0.50294(9) 0.0320(6) Uani 1 1 d . . . . .
H01H H 0.643226 0.245848 0.520563 0.038 Uiso 1 1 calc R . . . .
H01I H 0.647328 0.162649 0.523185 0.038 Uiso 1 1 calc R . . . .
C01D C 0.38052(14) 0.27539(15) 0.25414(9) 0.0294(5) Uani 1 1 d . . . . .
H01J H 0.330826 0.282910 0.260326 0.035 Uiso 1 1 calc R . . . .
H01K H 0.397210 0.233322 0.270536 0.035 Uiso 1 1 calc R . . . .
C01E C 0.42336(15) 0.33755(15) 0.27116(9) 0.0301(5) Uani 1 1 d . . . . .
H01L H 0.473372 0.330196 0.265706 0.036 Uiso 1 1 calc R . . . .
H01M H 0.407004 0.380027 0.255081 0.036 Uiso 1 1 calc R . . . .
C01F C 0.33509(15) 0.43669(16) 0.40220(10) 0.0357(6) Uani 1 1 d . . . . .
H01N H 0.347354 0.475793 0.385154 0.043 Uiso 1 1 calc R . . . .
C01G C 0.91881(16) 0.08099(15) 0.34469(9) 0.0336(6) Uani 1 1 d . . . . .
H01O H 0.952212 0.056525 0.363440 0.040 Uiso 1 1 calc R . . . .
C01H C 0.56834(14) 0.58976(15) 0.46482(10) 0.0333(6) Uani 1 1 d . . . . .
H01P H 0.587523 0.630302 0.478941 0.040 Uiso 1 1 calc R . . . .
C01I C 0.85516(16) 0.10033(15) 0.36030(9) 0.0341(6) Uani 1 1 d . . . . .
H01Q H 0.843760 0.087091 0.389094 0.041 Uiso 1 1 calc R . . . .
C01J C 0.49683(14) 0.18755(14) 0.49256(9) 0.0283(5) Uani 1 1 d . . . . .
C01K C 0.26669(15) 0.42863(18) 0.41423(11) 0.0406(7) Uani 1 1 d . . . . .
H01R H 0.232216 0.462408 0.405334 0.049 Uiso 1 1 calc R . . . .
C01L C 0.36701(14) 0.33068(16) 0.43977(10) 0.0329(6) Uani 1 1 d . . . . .
H01S H 0.401031 0.296395 0.448541 0.040 Uiso 1 1 calc R . . . .
C01M C 0.43531(15) 0.16063(16) 0.47118(10) 0.0339(6) Uani 1 1 d . . . . .
H01T H 0.436328 0.143190 0.441963 0.041 Uiso 1 1 calc R . . . .
C01N C 0.43110(18) 0.21122(15) 0.55615(10) 0.0375(7) Uani 1 1 d . . . . .
H01U H 0.429744 0.228570 0.585371 0.045 Uiso 1 1 calc R . . . .
C01O C 0.19586(16) 0.38656(18) 0.13652(11) 0.0417(7) Uani 1 1 d . . . . .
H01V H 0.156822 0.412579 0.124441 0.050 Uiso 1 1 calc R . . . .
C01P C 0.49401(16) 0.21235(14) 0.53535(10) 0.0327(6) Uani 1 1 d . . . . .
H01W H 0.535265 0.230215 0.550567 0.039 Uiso 1 1 calc R . . . .
C01Q C 0.52292(15) 0.59630(15) 0.42804(10) 0.0339(6) Uani 1 1 d . . . . .
H01X H 0.511035 0.641258 0.416794 0.041 Uiso 1 1 calc R . . . .
C01R C 0.37299(16) 0.15911(17) 0.49214(11) 0.0394(7) Uani 1 1 d . . . . .
H01Y H 0.331786 0.140263 0.477411 0.047 Uiso 1 1 calc R . . . .
C01S C 0.37087(17) 0.18515(17) 0.53464(11) 0.0393(7) Uani 1 1 d . . . . .
H01Z H 0.328043 0.184999 0.548855 0.047 Uiso 1 1 calc R . . . .
C01T C 0.56263(17) 0.04979(16) 0.45717(11) 0.0390(7) Uani 1 1 d . . . . .
H01 H 0.541296 0.052412 0.484488 0.047 Uiso 1 1 calc R . . . .
C01U C 0.62638(19) 0.04042(17) 0.37805(10) 0.0420(7) Uani 1 1 d . . . . .
H0AA H 0.648933 0.037147 0.351179 0.050 Uiso 1 1 calc R . . . .
C01V C 0.29837(16) 0.32360(19) 0.45181(12) 0.0431(7) Uani 1 1 d . . . . .
H1AA H 0.285710 0.284914 0.469099 0.052 Uiso 1 1 calc R . . . .
C01W C 0.24858(16) 0.37296(19) 0.43859(12) 0.0446(8) Uani 1 1 d . . . . .
H2AA H 0.201575 0.367910 0.446572 0.054 Uiso 1 1 calc R . . . .
C01X C 0.30076(18) 0.37820(18) 0.18359(12) 0.0458(8) Uani 1 1 d . . . . .
H3AA H 0.333907 0.399248 0.204207 0.055 Uiso 1 1 calc R . . . .
C01Y C 0.3279(2) 0.02664(19) 0.19209(11) 0.0466(8) Uani 1 1 d . . . . .
H4AA H 0.317247 -0.021688 0.192524 0.056 Uiso 1 1 calc R . . . .
C01Z C 0.24326(19) 0.41664(18) 0.16697(12) 0.0471(8) Uani 1 1 d . . . . .
H5AA H 0.236716 0.463176 0.176522 0.057 Uiso 1 1 calc R . . . .
C020 C 0.40526(19) 0.12030(19) 0.17476(12) 0.0479(8) Uani 1 1 d . . . . .
H020 H 0.447678 0.135451 0.163172 0.057 Uiso 1 1 calc R . . . .
C021 C 0.60313(19) -0.01899(17) 0.39802(11) 0.0444(7) Uani 1 1 d . . . . .
H021 H 0.609023 -0.063122 0.384593 0.053 Uiso 1 1 calc R . . . .
C022 C 0.2624(2) 0.2806(2) 0.14022(13) 0.0541(10) Uani 1 1 d . . . . .
H022 H 0.268115 0.234092 0.130461 0.065 Uiso 1 1 calc R . . . .
C023 C 0.2826(2) 0.0742(2) 0.20778(15) 0.0585(10) Uani 1 1 d . . . . .
H023 H 0.240247 0.058950 0.219448 0.070 Uiso 1 1 calc R . . . .
C024 C 0.29825(19) 0.1449(2) 0.20671(16) 0.0631(12) Uani 1 1 d . . . . .
H024 H 0.266023 0.177678 0.217255 0.076 Uiso 1 1 calc R . . . .
C025 C 0.57146(19) -0.01465(17) 0.43729(12) 0.0455(8) Uani 1 1 d . . . . .
H025 H 0.555563 -0.055775 0.450882 0.055 Uiso 1 1 calc R . . . .
C026 C 0.3895(2) 0.0497(2) 0.17559(15) 0.0594(10) Uani 1 1 d . . . . .
H026 H 0.421392 0.016927 0.164712 0.071 Uiso 1 1 calc R . . . .
C027 C 0.20514(19) 0.3197(2) 0.12384(13) 0.0580(10) Uani 1 1 d . . . . .
H027 H 0.171700 0.298986 0.103250 0.070 Uiso 1 1 calc R . . . .
Ag1 Ag 0.4921(2) 0.2446(2) 0.17484(17) 0.0825(13) Uani 0.1 1 d . . P A 1


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag01 P003 2.4359(6) . ?
Ag01 P004 2.4002(7) . ?
Ag01 O00C 2.5535(17) 7_655 ?
Ag01 O00F 2.5003(16) 7_655 ?
Ag02 P007 2.3999(7) . ?
Ag02 O00G 2.2886(18) . ?
Ag02 C012 2.649(3) 7_655 ?
P003 C00K 1.817(3) . ?
P003 C00V 1.827(3) . ?
P003 C016 1.816(3) . ?
P004 C00S 1.821(3) . ?
P004 C01C 1.835(3) . ?
P004 C01J 1.825(3) . ?
Al05 O008 1.9072(18) . ?
Al05 O00B 1.7548(19) . ?
Al05 O00C 1.8530(18) . ?
Al05 O00E 1.9306(17) . ?
Al05 O00F 1.8297(18) . ?
Al06 Al06 2.9372(14) 7_655 ?
Al06 O008 1.9291(18) 7_655 ?
Al06 O009 1.8588(18) 7_655 ?
Al06 O009 1.9087(17) . ?
Al06 O00A 1.8639(19) 7_655 ?
Al06 O00D 1.8074(18) . ?
Al06 O00E 1.9063(18) . ?
P007 C014 1.820(3) . ?
P007 C018 1.830(3) . ?
P007 C01D 1.825(3) . ?
P007 Ag1 2.189(4) . ?
O008 C00J 1.368(3) . ?
O009 C00N 1.365(3) . ?
O00A C00T 1.291(3) . ?
O00B C00M 1.334(3) . ?
O00C C00R 1.339(3) . ?
O00D C00L 1.300(3) . ?
O00E C00U 1.367(3) . ?
O00F C017 1.346(3) . ?
O00G C00T 1.240(3) . ?
O00G Ag1 2.148(4) . ?
O00H C00L 1.224(3) . ?
C00I C00L 1.505(3) . ?
C00I C00U 1.393(3) . ?
C00I C010 1.405(3) . ?
C00J C00Q 1.383(3) . ?
C00J C00R 1.403(3) . ?
C00K C00P 1.394(4) . ?
C00K C00W 1.387(4) . ?
C00M C00N 1.412(3) . ?
C00M C012 1.406(4) . ?
C00N C00Y 1.383(3) . ?
C00O H00O 0.9500 . ?
C00O C011 1.402(4) . ?
C00O C017 1.388(3) . ?
C00P H00P 0.9500 . ?
C00P C013 1.391(4) . ?
C00Q C00T 1.482(3) . ?
C00Q C00X 1.405(3) . ?
C00R C00Z 1.385(3) . ?
C00S C01A 1.392(4) . ?
C00S C01T 1.397(4) . ?
C00U C017 1.402(3) . ?
C00V C01F 1.399(4) . ?
C00V C01L 1.373(4) . ?
C00W H00W 0.9500 . ?
C00W C01Q 1.393(4) . ?
C00X H00X 0.9500 . ?
C00X C015 1.383(4) . ?
C00Y H00Y 0.9500 . ?
C00Y C01I 1.401(4) . ?
C00Z H00Z 0.9500 . ?
C00Z C015 1.393(4) . ?
C010 H010 0.9500 . ?
C010 C011 1.375(4) . ?
C011 H011 0.9500 . ?
C012 H012 0.9500 . ?
C012 C01G 1.403(4) . ?
C013 H013 0.9500 . ?
C013 C01H 1.379(4) . ?
C014 C020 1.371(4) . ?
C014 C024 1.382(5) . ?
C015 H015 0.9500 . ?
C016 H01A 0.9900 . ?
C016 H01B 0.9900 . ?
C016 C01B 1.532(4) . ?
C018 C01X 1.392(5) . ?
C018 C022 1.381(4) . ?
C019 C019 1.532(5) 2_656 ?
C019 H01C 0.9900 . ?
C019 H01D 0.9900 . ?
C019 C01C 1.530(4) . ?
C01A H01E 0.9500 . ?
C01A C01U 1.393(4) . ?
C01B H01F 0.9900 . ?
C01B H01G 0.9900 . ?
C01B C01E 1.516(4) . ?
C01C H01H 0.9900 . ?
C01C H01I 0.9900 . ?
C01D H01J 0.9900 . ?
C01D H01K 0.9900 . ?
C01D C01E 1.517(4) . ?
C01E H01L 0.9900 . ?
C01E H01M 0.9900 . ?
C01F H01N 0.9500 . ?
C01F C01K 1.388(4) . ?
C01G H01O 0.9500 . ?
C01G C01I 1.384(4) . ?
C01H H01P 0.9500 . ?
C01H C01Q 1.373(4) . ?
C01I H01Q 0.9500 . ?
C01J C01M 1.402(4) . ?
C01J C01P 1.389(4) . ?
C01K H01R 0.9500 . ?
C01K C01W 1.358(5) . ?
C01L H01S 0.9500 . ?
C01L C01V 1.391(4) . ?
C01M H01T 0.9500 . ?
C01M C01R 1.387(4) . ?
C01N H01U 0.9500 . ?
C01N C01P 1.394(4) . ?
C01N C01S 1.378(5) . ?
C01O H01V 0.9500 . ?
C01O C01Z 1.377(5) . ?
C01O C027 1.356(5) . ?
C01P H01W 0.9500 . ?
C01Q H01X 0.9500 . ?
C01R H01Y 0.9500 . ?
C01R C01S 1.387(5) . ?
C01S H01Z 0.9500 . ?
C01T H01 0.9500 . ?
C01T C025 1.391(5) . ?
C01U H0AA 0.9500 . ?
C01U C021 1.379(5) . ?
C01V H1AA 0.9500 . ?
C01V C01W 1.382(5) . ?
C01W H2AA 0.9500 . ?
C01X H3AA 0.9500 . ?
C01X C01Z 1.389(5) . ?
C01Y H4AA 0.9500 . ?
C01Y C023 1.366(5) . ?
C01Y C026 1.381(5) . ?
C01Z H5AA 0.9500 . ?
C020 H020 0.9500 . ?
C020 C026 1.389(5) . ?
C021 H021 0.9500 . ?
C021 C025 1.376(5) . ?
C022 H022 0.9500 . ?
C022 C027 1.389(5) . ?
C023 H023 0.9500 . ?
C023 C024 1.391(5) . ?
C024 H024 0.9500 . ?
C025 H025 0.9500 . ?
C026 H026 0.9500 . ?
C027 H027 0.9500 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P003 Ag01 O00C 87.46(4) . 7_655 ?
P003 Ag01 O00F 100.54(4) . 7_655 ?
P004 Ag01 P003 140.75(2) . . ?
P004 Ag01 O00C 127.51(4) . 7_655 ?
P004 Ag01 O00F 112.15(4) . 7_655 ?
O00F Ag01 O00C 59.31(5) 7_655 7_655 ?
P007 Ag02 C012 121.23(6) . 7_655 ?
O00G Ag02 P007 127.35(5) . . ?
O00G Ag02 C012 111.06(8) . 7_655 ?
C00K P003 Ag01 114.76(8) . . ?
C00K P003 C00V 105.08(12) . . ?
C00V P003 Ag01 118.31(9) . . ?
C016 P003 Ag01 107.90(9) . . ?
C016 P003 C00K 107.57(12) . . ?
C016 P003 C00V 102.11(12) . . ?
C00S P004 Ag01 115.71(9) . . ?
C00S P004 C01C 103.86(13) . . ?
C00S P004 C01J 103.76(13) . . ?
C01C P004 Ag01 120.22(10) . . ?
C01J P004 Ag01 106.57(9) . . ?
C01J P004 C01C 105.12(13) . . ?
O008 Al05 O00E 89.40(8) . . ?
O00B Al05 O008 111.72(8) . . ?
O00B Al05 O00C 104.07(9) . . ?
O00B Al05 O00E 102.71(8) . . ?
O00B Al05 O00F 106.84(9) . . ?
O00C Al05 O008 83.88(8) . . ?
O00C Al05 O00E 153.00(9) . . ?
O00F Al05 O008 141.41(9) . . ?
O00F Al05 O00C 85.54(8) . . ?
O00F Al05 O00E 83.55(8) . . ?
O008 Al06 Al06 85.78(6) 7_655 7_655 ?
O009 Al06 Al06 38.17(5) . 7_655 ?
O009 Al06 Al06 39.39(5) 7_655 7_655 ?
O009 Al06 O008 88.34(8) . 7_655 ?
O009 Al06 O008 85.03(8) 7_655 7_655 ?
O009 Al06 O009 77.56(8) 7_655 . ?
O009 Al06 O00A 167.75(8) 7_655 7_655 ?
O009 Al06 O00E 90.94(8) 7_655 . ?
O00A Al06 Al06 128.89(7) 7_655 7_655 ?
O00A Al06 O008 90.83(8) 7_655 7_655 ?
O00A Al06 O009 90.82(8) 7_655 . ?
O00A Al06 O00E 91.84(8) 7_655 . ?
O00D Al06 Al06 136.27(7) . 7_655 ?
O00D Al06 O008 93.60(8) . 7_655 ?
O00D Al06 O009 173.99(9) . . ?
O00D Al06 O009 96.93(8) . 7_655 ?
O00D Al06 O00A 94.83(8) . 7_655 ?
O00D Al06 O00E 93.16(8) . . ?
O00E Al06 Al06 87.09(6) . 7_655 ?
O00E Al06 O008 172.50(8) . 7_655 ?
O00E Al06 O009 84.61(7) . . ?
C014 P007 Ag02 115.10(10) . . ?
C014 P007 C018 106.16(14) . . ?
C014 P007 C01D 101.89(14) . . ?
C014 P007 Ag1 95.70(15) . . ?
C018 P007 Ag02 118.96(10) . . ?
C018 P007 Ag1 131.78(16) . . ?
C01D P007 Ag02 109.87(9) . . ?
C01D P007 C018 102.88(13) . . ?
C01D P007 Ag1 114.07(16) . . ?
Al05 O008 Al06 124.64(9) . 7_655 ?
C00J O008 Al05 112.22(14) . . ?
C00J O008 Al06 120.20(14) . 7_655 ?
Al06 O009 Al06 102.44(8) 7_655 . ?
C00N O009 Al06 121.96(15) . . ?
C00N O009 Al06 135.11(15) . 7_655 ?
C00T O00A Al06 131.71(16) . 7_655 ?
C00M O00B Al05 135.24(16) . . ?
Al05 O00C Ag01 105.51(8) . 7_655 ?
C00R O00C Ag01 112.83(14) . 7_655 ?
C00R O00C Al05 114.30(15) . . ?
C00L O00D Al06 128.95(17) . . ?
Al06 O00E Al05 125.30(9) . . ?
C00U O00E Al05 112.25(14) . . ?
C00U O00E Al06 119.05(14) . . ?
Al05 O00F Ag01 108.37(8) . 7_655 ?
C017 O00F Ag01 129.94(14) . 7_655 ?
C017 O00F Al05 115.24(14) . . ?
C00T O00G Ag02 106.40(16) . . ?
C00T O00G Ag1 103.7(2) . . ?
C00U C00I C00L 123.1(2) . . ?
C00U C00I C010 117.7(2) . . ?
C010 C00I C00L 119.1(2) . . ?
O008 C00J C00Q 124.9(2) . . ?
O008 C00J C00R 113.2(2) . . ?
C00Q C00J C00R 121.8(2) . . ?
C00P C00K P003 118.1(2) . . ?
C00W C00K P003 123.1(2) . . ?
C00W C00K C00P 118.9(2) . . ?
O00D C00L C00I 117.5(2) . . ?
O00H C00L O00D 122.8(2) . . ?
O00H C00L C00I 119.6(2) . . ?
O00B C00M C00N 121.3(2) . . ?
O00B C00M C012 120.9(2) . . ?
C012 C00M C00N 117.9(2) . . ?
O009 C00N C00M 117.0(2) . . ?
O009 C00N C00Y 121.7(2) . . ?
C00Y C00N C00M 121.0(2) . . ?
C011 C00O H00O 120.4 . . ?
C017 C00O H00O 120.4 . . ?
C017 C00O C011 119.1(2) . . ?
C00K C00P H00P 119.6 . . ?
C013 C00P C00K 120.8(3) . . ?
C013 C00P H00P 119.6 . . ?
C00J C00Q C00T 121.3(2) . . ?
C00J C00Q C00X 118.4(2) . . ?
C00X C00Q C00T 120.2(2) . . ?
O00C C00R C00J 115.2(2) . . ?
O00C C00R C00Z 125.8(2) . . ?
C00Z C00R C00J 119.0(2) . . ?
C01A C00S P004 118.8(2) . . ?
C01A C00S C01T 118.7(3) . . ?
C01T C00S P004 122.5(2) . . ?
O00A C00T C00Q 119.1(2) . . ?
O00G C00T O00A 120.9(2) . . ?
O00G C00T C00Q 120.0(2) . . ?
O00E C00U C00I 125.4(2) . . ?
O00E C00U C017 113.0(2) . . ?
C00I C00U C017 121.5(2) . . ?
C01F C00V P003 122.2(2) . . ?
C01L C00V P003 118.5(2) . . ?
C01L C00V C01F 119.2(3) . . ?
C00K C00W H00W 119.9 . . ?
C00K C00W C01Q 120.2(3) . . ?
C01Q C00W H00W 119.9 . . ?
C00Q C00X H00X 120.0 . . ?
C015 C00X C00Q 120.0(2) . . ?
C015 C00X H00X 120.0 . . ?
C00N C00Y H00Y 119.8 . . ?
C00N C00Y C01I 120.4(2) . . ?
C01I C00Y H00Y 119.8 . . ?
C00R C00Z H00Z 120.2 . . ?
C00R C00Z C015 119.6(2) . . ?
C015 C00Z H00Z 120.2 . . ?
C00I C010 H010 119.5 . . ?
C011 C010 C00I 121.0(2) . . ?
C011 C010 H010 119.5 . . ?
C00O C011 H011 119.6 . . ?
C010 C011 C00O 120.7(2) . . ?
C010 C011 H011 119.6 . . ?
Ag02 C012 H012 86.2 7_655 . ?
C00M C012 Ag02 91.23(16) . 7_655 ?
C00M C012 H012 119.7 . . ?
C01G C012 Ag02 92.54(18) . 7_655 ?
C01G C012 C00M 120.6(2) . . ?
C01G C012 H012 119.7 . . ?
C00P C013 H013 120.3 . . ?
C01H C013 C00P 119.3(3) . . ?
C01H C013 H013 120.3 . . ?
C020 C014 P007 120.2(3) . . ?
C020 C014 C024 118.6(3) . . ?
C024 C014 P007 120.9(2) . . ?
C00X C015 C00Z 121.1(2) . . ?
C00X C015 H015 119.5 . . ?
C00Z C015 H015 119.5 . . ?
P003 C016 H01A 110.2 . . ?
P003 C016 H01B 110.2 . . ?
H01A C016 H01B 108.5 . . ?
C01B C016 P003 107.56(18) . . ?
C01B C016 H01A 110.2 . . ?
C01B C016 H01B 110.2 . . ?
O00F C017 C00O 125.4(2) . . ?
O00F C017 C00U 115.0(2) . . ?
C00O C017 C00U 119.6(2) . . ?
C01X C018 P007 120.1(2) . . ?
C022 C018 P007 122.0(3) . . ?
C022 C018 C01X 118.0(3) . . ?
C019 C019 H01C 109.3 2_656 . ?
C019 C019 H01D 109.3 2_656 . ?
H01C C019 H01D 108.0 . . ?
C01C C019 C019 111.5(3) . 2_656 ?
C01C C019 H01C 109.3 . . ?
C01C C019 H01D 109.3 . . ?
C00S C01A H01E 119.7 . . ?
C00S C01A C01U 120.6(3) . . ?
C01U C01A H01E 119.7 . . ?
C016 C01B H01F 109.1 . . ?
C016 C01B H01G 109.1 . . ?
H01F C01B H01G 107.9 . . ?
C01E C01B C016 112.4(2) . . ?
C01E C01B H01F 109.1 . . ?
C01E C01B H01G 109.1 . . ?
P004 C01C H01H 109.2 . . ?
P004 C01C H01I 109.2 . . ?
C019 C01C P004 112.3(2) . . ?
C019 C01C H01H 109.2 . . ?
C019 C01C H01I 109.2 . . ?
H01H C01C H01I 107.9 . . ?
P007 C01D H01J 108.8 . . ?
P007 C01D H01K 108.8 . . ?
H01J C01D H01K 107.7 . . ?
C01E C01D P007 113.8(2) . . ?
C01E C01D H01J 108.8 . . ?
C01E C01D H01K 108.8 . . ?
C01B C01E C01D 110.5(2) . . ?
C01B C01E H01L 109.5 . . ?
C01B C01E H01M 109.5 . . ?
C01D C01E H01L 109.5 . . ?
C01D C01E H01M 109.5 . . ?
H01L C01E H01M 108.1 . . ?
C00V C01F H01N 120.1 . . ?
C01K C01F C00V 119.7(3) . . ?
C01K C01F H01N 120.1 . . ?
C012 C01G H01O 119.8 . . ?
C01I C01G C012 120.5(3) . . ?
C01I C01G H01O 119.8 . . ?
C013 C01H H01P 119.7 . . ?
C01Q C01H C013 120.6(3) . . ?
C01Q C01H H01P 119.7 . . ?
C00Y C01I H01Q 120.3 . . ?
C01G C01I C00Y 119.4(3) . . ?
C01G C01I H01Q 120.3 . . ?
C01M C01J P004 118.6(2) . . ?
C01P C01J P004 122.6(2) . . ?
C01P C01J C01M 118.4(3) . . ?
C01F C01K H01R 119.7 . . ?
C01W C01K C01F 120.6(3) . . ?
C01W C01K H01R 119.7 . . ?
C00V C01L H01S 119.8 . . ?
C00V C01L C01V 120.4(3) . . ?
C01V C01L H01S 119.8 . . ?
C01J C01M H01T 119.6 . . ?
C01R C01M C01J 120.9(3) . . ?
C01R C01M H01T 119.6 . . ?
C01P C01N H01U 119.8 . . ?
C01S C01N H01U 119.8 . . ?
C01S C01N C01P 120.5(3) . . ?
C01Z C01O H01V 120.1 . . ?
C027 C01O H01V 120.1 . . ?
C027 C01O C01Z 119.7(3) . . ?
C01J C01P C01N 120.5(3) . . ?
C01J C01P H01W 119.7 . . ?
C01N C01P H01W 119.7 . . ?
C00W C01Q H01X 119.9 . . ?
C01H C01Q C00W 120.3(3) . . ?
C01H C01Q H01X 119.9 . . ?
C01M C01R H01Y 120.0 . . ?
C01M C01R C01S 119.9(3) . . ?
C01S C01R H01Y 120.0 . . ?
C01N C01S C01R 119.8(3) . . ?
C01N C01S H01Z 120.1 . . ?
C01R C01S H01Z 120.1 . . ?
C00S C01T H01 119.8 . . ?
C025 C01T C00S 120.3(3) . . ?
C025 C01T H01 119.8 . . ?
C01A C01U H0AA 120.1 . . ?
C021 C01U C01A 119.9(3) . . ?
C021 C01U H0AA 120.1 . . ?
C01L C01V H1AA 120.1 . . ?
C01W C01V C01L 119.9(3) . . ?
C01W C01V H1AA 120.1 . . ?
C01K C01W C01V 120.2(3) . . ?
C01K C01W H2AA 119.9 . . ?
C01V C01W H2AA 119.9 . . ?
C018 C01X H3AA 119.3 . . ?
C01Z C01X C018 121.5(3) . . ?
C01Z C01X H3AA 119.3 . . ?
C023 C01Y H4AA 120.4 . . ?
C023 C01Y C026 119.2(3) . . ?
C026 C01Y H4AA 120.4 . . ?
C01O C01Z C01X 119.3(3) . . ?
C01O C01Z H5AA 120.4 . . ?
C01X C01Z H5AA 120.4 . . ?
C014 C020 H020 119.8 . . ?
C014 C020 C026 120.4(3) . . ?
C026 C020 H020 119.8 . . ?
C01U C021 H021 119.9 . . ?
C025 C021 C01U 120.3(3) . . ?
C025 C021 H021 119.9 . . ?
C018 C022 H022 120.0 . . ?
C018 C022 C027 120.0(3) . . ?
C027 C022 H022 120.0 . . ?
C01Y C023 H023 119.9 . . ?
C01Y C023 C024 120.1(4) . . ?
C024 C023 H023 119.9 . . ?
C014 C024 C023 121.0(3) . . ?
C014 C024 H024 119.5 . . ?
C023 C024 H024 119.5 . . ?
C01T C025 H025 119.9 . . ?
C021 C025 C01T 120.2(3) . . ?
C021 C025 H025 119.9 . . ?
C01Y C026 C020 120.7(3) . . ?
C01Y C026 H026 119.7 . . ?
C020 C026 H026 119.7 . . ?
C01O C027 C022 121.6(3) . . ?
C01O C027 H027 119.2 . . ?
C022 C027 H027 119.2 . . ?
O00G Ag1 P007 151.4(3) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Ag01 P003 C00K C00P -28.0(2) . . . . ?
Ag01 P003 C00K C00W 152.8(2) . . . . ?
Ag01 P003 C00V C01F -166.67(19) . . . . ?
Ag01 P003 C00V C01L 10.2(2) . . . . ?
Ag01 P003 C016 C01B 69.48(18) . . . . ?
Ag01 P004 C00S C01A 35.2(3) . . . . ?
Ag01 P004 C00S C01T -145.2(2) . . . . ?
Ag01 P004 C01C C019 -64.9(2) . . . . ?
Ag01 P004 C01J C01M 70.5(2) . . . . ?
Ag01 P004 C01J C01P -103.1(2) . . . . ?
Ag01 O00C C00R C00J -126.77(18) 7_655 . . . ?
Ag01 O00C C00R C00Z 51.4(3) 7_655 . . . ?
Ag01 O00F C017 C00O -39.1(3) 7_655 . . . ?
Ag01 O00F C017 C00U 138.25(17) 7_655 . . . ?
Ag02 P007 C014 C020 -1.4(3) . . . . ?
Ag02 P007 C014 C024 172.3(3) . . . . ?
Ag02 P007 C018 C01X -73.5(3) . . . . ?
Ag02 P007 C018 C022 108.3(3) . . . . ?
Ag02 P007 C01D C01E 36.2(2) . . . . ?
Ag02 O00G C00T O00A 7.5(3) . . . . ?
Ag02 O00G C00T C00Q -171.91(18) . . . . ?
Ag02 C012 C01G C01I 93.6(3) 7_655 . . . ?
P003 C00K C00P C013 -179.6(2) . . . . ?
P003 C00K C00W C01Q 179.4(2) . . . . ?
P003 C00V C01F C01K 177.0(2) . . . . ?
P003 C00V C01L C01V -177.6(2) . . . . ?
P003 C016 C01B C01E -158.15(19) . . . . ?
P004 C00S C01A C01U 179.2(2) . . . . ?
P004 C00S C01T C025 179.7(3) . . . . ?
P004 C01J C01M C01R -173.6(2) . . . . ?
P004 C01J C01P C01N 172.8(2) . . . . ?
Al05 O008 C00J C00Q -167.0(2) . . . . ?
Al05 O008 C00J C00R 9.2(2) . . . . ?
Al05 O00B C00M C00N 16.1(4) . . . . ?
Al05 O00B C00M C012 -163.48(19) . . . . ?
Al05 O00C C00R C00J -6.2(3) . . . . ?
Al05 O00C C00R C00Z 172.0(2) . . . . ?
Al05 O00E C00U C00I -179.2(2) . . . . ?
Al05 O00E C00U C017 3.2(2) . . . . ?
Al05 O00F C017 C00O 172.8(2) . . . . ?
Al05 O00F C017 C00U -9.9(3) . . . . ?
Al06 Al06 O00D C00L -127.3(2) 7_655 . . . ?
Al06 O008 C00J C00Q 31.5(3) 7_655 . . . ?
Al06 O008 C00J C00R -152.31(17) 7_655 . . . ?
Al06 O009 C00N C00M 101.0(2) 7_655 . . . ?
Al06 O009 C00N C00M -88.6(2) . . . . ?
Al06 O009 C00N C00Y 85.2(3) . . . . ?
Al06 O009 C00N C00Y -85.2(3) 7_655 . . . ?
Al06 O00A C00T O00G -170.16(18) 7_655 . . . ?
Al06 O00A C00T C00Q 9.2(3) 7_655 . . . ?
Al06 O00D C00L O00H -161.3(2) . . . . ?
Al06 O00D C00L C00I 22.3(3) . . . . ?
Al06 O00E C00U C00I -18.9(3) . . . . ?
Al06 O00E C00U C017 163.52(16) . . . . ?
P007 C014 C020 C026 173.0(3) . . . . ?
P007 C014 C024 C023 -172.6(3) . . . . ?
P007 C018 C01X C01Z -177.4(3) . . . . ?
P007 C018 C022 C027 177.4(3) . . . . ?
P007 C01D C01E C01B 179.54(19) . . . . ?
O008 Al05 O00B C00M -52.5(2) . . . . ?
O008 Al05 O00C Ag01 133.51(8) . . . 7_655 ?
O008 Al05 O00C C00R 8.96(17) . . . . ?
O008 Al05 O00F Ag01 -64.70(15) . . . 7_655 ?
O008 Al05 O00F C017 90.0(2) . . . . ?
O008 Al06 O00D C00L 145.0(2) 7_655 . . . ?
O008 C00J C00Q C00T 1.0(4) . . . . ?
O008 C00J C00Q C00X 178.5(2) . . . . ?
O008 C00J C00R O00C -2.2(3) . . . . ?
O008 C00J C00R C00Z 179.5(2) . . . . ?
O009 Al06 O00D C00L -129.6(2) 7_655 . . . ?
O009 C00N C00Y C01I -170.4(2) . . . . ?
O00A Al06 O00D C00L 53.9(2) 7_655 . . . ?
O00B Al05 O00C Ag01 -115.59(8) . . . 7_655 ?
O00B Al05 O00C C00R 119.86(17) . . . . ?
O00B Al05 O00F Ag01 113.04(9) . . . 7_655 ?
O00B Al05 O00F C017 -92.21(17) . . . . ?
O00B C00M C00N O009 -11.4(3) . . . . ?
O00B C00M C00N C00Y 174.8(2) . . . . ?
O00B C00M C012 Ag02 89.7(2) . . . 7_655 ?
O00B C00M C012 C01G -176.7(2) . . . . ?
O00C Al05 O00B C00M -141.4(2) . . . . ?
O00C Al05 O00F Ag01 9.67(8) . . . 7_655 ?
O00C Al05 O00F C017 164.43(17) . . . . ?
O00C C00R C00Z C015 -175.6(2) . . . . ?
O00E Al05 O00B C00M 42.0(2) . . . . ?
O00E Al05 O00C Ag01 57.0(2) . . . 7_655 ?
O00E Al05 O00C C00R -67.5(3) . . . . ?
O00E Al05 O00F Ag01 -145.59(8) . . . 7_655 ?
O00E Al05 O00F C017 9.16(17) . . . . ?
O00E Al06 O00D C00L -38.2(2) . . . . ?
O00E C00U C017 O00F 4.0(3) . . . . ?
O00E C00U C017 C00O -178.5(2) . . . . ?
O00F Al05 O00B C00M 129.0(2) . . . . ?
O00F Al05 O00C Ag01 -9.33(8) . . . 7_655 ?
O00F Al05 O00C C00R -133.88(17) . . . . ?
C00I C00U C017 O00F -173.7(2) . . . . ?
C00I C00U C017 C00O 3.8(4) . . . . ?
C00I C010 C011 C00O 1.8(4) . . . . ?
C00J C00Q C00T O00A -23.0(4) . . . . ?
C00J C00Q C00T O00G 156.4(2) . . . . ?
C00J C00Q C00X C015 0.5(4) . . . . ?
C00J C00R C00Z C015 2.5(4) . . . . ?
C00K P003 C00V C01F 63.7(2) . . . . ?
C00K P003 C00V C01L -119.5(2) . . . . ?
C00K P003 C016 C01B -166.20(17) . . . . ?
C00K C00P C013 C01H 0.5(4) . . . . ?
C00K C00W C01Q C01H -0.2(4) . . . . ?
C00L C00I C00U O00E -7.0(4) . . . . ?
C00L C00I C00U C017 170.4(2) . . . . ?
C00L C00I C010 C011 -173.4(3) . . . . ?
C00M C00N C00Y C01I 3.1(4) . . . . ?
C00M C012 C01G C01I 0.7(4) . . . . ?
C00N C00M C012 Ag02 -89.9(2) . . . 7_655 ?
C00N C00M C012 C01G 3.8(4) . . . . ?
C00N C00Y C01I C01G 1.5(4) . . . . ?
C00P C00K C00W C01Q 0.2(4) . . . . ?
C00P C013 C01H C01Q -0.4(4) . . . . ?
C00Q C00J C00R O00C 174.2(2) . . . . ?
C00Q C00J C00R C00Z -4.1(4) . . . . ?
C00Q C00X C015 C00Z -2.0(4) . . . . ?
C00R C00J C00Q C00T -174.9(2) . . . . ?
C00R C00J C00Q C00X 2.6(4) . . . . ?
C00R C00Z C015 C00X 0.5(4) . . . . ?
C00S P004 C01C C019 66.5(2) . . . . ?
C00S P004 C01J C01M -52.1(2) . . . . ?
C00S P004 C01J C01P 134.3(2) . . . . ?
C00S C01A C01U C021 1.3(5) . . . . ?
C00S C01T C025 C021 0.9(5) . . . . ?
C00T C00Q C00X C015 178.0(2) . . . . ?
C00U C00I C00L O00D 7.2(4) . . . . ?
C00U C00I C00L O00H -169.4(3) . . . . ?
C00U C00I C010 C011 2.7(4) . . . . ?
C00V P003 C00K C00P 103.7(2) . . . . ?
C00V P003 C00K C00W -75.5(3) . . . . ?
C00V P003 C016 C01B -55.9(2) . . . . ?
C00V C01F C01K C01W 0.0(5) . . . . ?
C00V C01L C01V C01W 0.8(5) . . . . ?
C00W C00K C00P C013 -0.4(4) . . . . ?
C00X C00Q C00T O00A 159.6(2) . . . . ?
C00X C00Q C00T O00G -21.0(4) . . . . ?
C010 C00I C00L O00D -176.9(2) . . . . ?
C010 C00I C00L O00H 6.5(4) . . . . ?
C010 C00I C00U O00E 177.0(2) . . . . ?
C010 C00I C00U C017 -5.5(4) . . . . ?
C011 C00O C017 O00F 178.1(2) . . . . ?
C011 C00O C017 C00U 0.8(4) . . . . ?
C012 C00M C00N O009 168.1(2) . . . . ?
C012 C00M C00N C00Y -5.7(4) . . . . ?
C012 C01G C01I C00Y -3.4(4) . . . . ?
C013 C01H C01Q C00W 0.3(4) . . . . ?
C014 P007 C018 C01X 154.9(3) . . . . ?
C014 P007 C018 C022 -23.3(3) . . . . ?
C014 P007 C01D C01E 158.7(2) . . . . ?
C014 C020 C026 C01Y 0.3(6) . . . . ?
C016 P003 C00K C00P -148.1(2) . . . . ?
C016 P003 C00K C00W 32.7(3) . . . . ?
C016 P003 C00V C01F -48.5(2) . . . . ?
C016 P003 C00V C01L 128.4(2) . . . . ?
C016 C01B C01E C01D 176.2(2) . . . . ?
C017 C00O C011 C010 -3.6(4) . . . . ?
C018 P007 C014 C020 132.4(3) . . . . ?
C018 P007 C014 C024 -53.9(3) . . . . ?
C018 P007 C01D C01E -91.4(2) . . . . ?
C018 C01X C01Z C01O -1.1(6) . . . . ?
C018 C022 C027 C01O 1.0(7) . . . . ?
C019 C019 C01C P004 -175.85(11) 2_656 . . . ?
C01A C00S C01T C025 -0.6(5) . . . . ?
C01A C01U C021 C025 -1.1(5) . . . . ?
C01C P004 C00S C01A -98.8(2) . . . . ?
C01C P004 C00S C01T 80.8(3) . . . . ?
C01C P004 C01J C01M -160.8(2) . . . . ?
C01C P004 C01J C01P 25.5(3) . . . . ?
C01D P007 C014 C020 -120.2(3) . . . . ?
C01D P007 C014 C024 53.4(3) . . . . ?
C01D P007 C018 C01X 48.2(3) . . . . ?
C01D P007 C018 C022 -130.0(3) . . . . ?
C01F C00V C01L C01V -0.7(4) . . . . ?
C01F C01K C01W C01V 0.2(5) . . . . ?
C01J P004 C00S C01A 151.5(2) . . . . ?
C01J P004 C00S C01T -28.9(3) . . . . ?
C01J P004 C01C C019 175.1(2) . . . . ?
C01J C01M C01R C01S 0.7(5) . . . . ?
C01L C00V C01F C01K 0.2(4) . . . . ?
C01L C01V C01W C01K -0.6(5) . . . . ?
C01M C01J C01P C01N -0.9(4) . . . . ?
C01M C01R C01S C01N -1.2(5) . . . . ?
C01P C01J C01M C01R 0.4(4) . . . . ?
C01P C01N C01S C01R 0.7(5) . . . . ?
C01S C01N C01P C01J 0.4(5) . . . . ?
C01T C00S C01A C01U -0.4(4) . . . . ?
C01U C021 C025 C01T 0.0(6) . . . . ?
C01X C018 C022 C027 -0.8(6) . . . . ?
C01Y C023 C024 C014 -1.0(7) . . . . ?
C01Z C01O C027 C022 -1.2(6) . . . . ?
C020 C014 C024 C023 1.1(6) . . . . ?
C022 C018 C01X C01Z 0.9(5) . . . . ?
C023 C01Y C026 C020 -0.2(6) . . . . ?
C024 C014 C020 C026 -0.8(6) . . . . ?
C026 C01Y C023 C024 0.5(6) . . . . ?
C027 C01O C01Z C01X 1.3(6) . . . . ?
Ag1 P007 C014 C020 -4.1(3) . . . . ?
Ag1 P007 C014 C024 169.5(3) . . . . ?
Ag1 P007 C018 C01X -91.7(3) . . . . ?
Ag1 P007 C018 C022 90.1(4) . . . . ?
Ag1 P007 C01D C01E 56.9(3) . . . . ?
Ag1 O00G C00T O00A -13.8(3) . . . . ?
Ag1 O00G C00T C00Q 166.9(2) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.250 -0.001 0.500 152.6 9.1 ?
2 0.250 0.501 0.000 152.6 9.0 ?
3 -0.250 0.499 0.000 152.6 9.1 ?
4 -0.250 0.001 0.500 152.6 9.0 ?
5 0.250 0.005 0.000 8.2 0.0 ?
6 0.250 0.495 0.500 8.2 0.0 ?
7 0.750 -0.005 0.000 8.2 0.0 ?
8 0.750 0.505 0.500 8.2 0.0 ?

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.571
_oxdiff_exptl_absorpt_empirical_full_min 0.727
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_AlOC-176
_database_code_depnum_ccdc_archive 'CCDC 2303400'
loop_
_audit_author_name
_audit_author_address
'Fan Yang'
;UCAS
China
;
_audit_update_record             
;
2023-12-08 deposited with the CCDC.	2024-07-17 downloaded from the CCDC.
;
_audit_creation_date             2023-11-03
_audit_creation_method           
;
Olex2 1.5-beta
(compiled 2023.08.24 svn.re1ec1418 for OlexSys, GUI svn.r6817)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C59 H46 Ag2 Al2 O10 P3, C2 H8 N'
_chemical_formula_sum            'C61 H54 Ag2 Al2 N O10 P3'
_chemical_formula_weight         1323.66
_chemical_melting_point          ?
_chemical_oxdiff_formula         'Al Ag C H O N '
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0137 0.0067 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag 0.0782 3.3823 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Al Al 0.1771 0.1873 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0241 0.0134 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0389 0.0241 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2543 0.3332 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   13.99610(10)
_cell_length_b                   15.35070(10)
_cell_length_c                   15.96420(10)
_cell_angle_alpha                113.0180(10)
_cell_angle_beta                 91.0680(10)
_cell_angle_gamma                114.7720(10)
_cell_volume                     2797.17(4)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    28831
_cell_measurement_temperature    100.0(2)
_cell_measurement_theta_max      60.1280
_cell_measurement_theta_min      2.6750
_shelx_estimated_absorpt_T_max   0.641
_shelx_estimated_absorpt_T_min   0.641
_exptl_absorpt_coefficient_mu    4.885
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.60073
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.115a (Rigaku Oxford Diffraction, 2021)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.572
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1344
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0309
_diffrn_reflns_av_unetI/netI     0.0326
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.980
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            39142
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.980
_diffrn_reflns_theta_full        53.543
_diffrn_reflns_theta_max         60.230
_diffrn_reflns_theta_min         2.679
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.0(2)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     48.00  95.00   0.50    0.05    --   76.35  77.00 -60.00   94
  2  ω     54.00  89.00   0.50    0.05    --   76.35  57.00-120.00   70
  3  ω    115.00 151.00   0.50    0.05    --   76.35  77.00 -60.00   72
  4  ω    113.00 139.00   0.50    0.05    --   76.35  57.00-120.00   52
  5  ω     51.00 145.00   0.50    0.05    --   76.35  73.00 -12.00  188
  6  ω     65.00 123.00   0.50    0.05    --   76.35  77.00  60.00  116
  7  ω     64.00 104.00   0.50    0.05    --   76.35 -73.00-141.00   80
  8  ω     86.00 111.00   0.50    0.05    --   76.35-125.00-150.00   50
  9  ω     26.00 110.00   0.50    0.05    --   76.35-125.00-180.00  168
 10  ω     49.00  99.00   0.50    0.05    --   76.35 -77.00   0.00  100
 11  ω     -5.00  37.00   0.50    0.05    --   -0.94 -99.00  60.00   84
 12  ω     -7.00  19.00   0.50    0.05    --   -0.94 -99.00-120.00   52
 13  ω    -62.00  25.00   0.50    0.05    --   -0.94 -73.00-141.00  174
 14  ω   -146.00 -76.00   0.50    0.05    --  -78.22 -73.00-141.00  140
 15  ω   -150.00 -89.00   0.50    0.05    --  -78.22-125.00 -90.00  122
 16  ω   -150.00 -91.00   0.50    0.05    --  -78.22 -99.00 -30.00  118
 17  ω   -149.00-114.00   0.50    0.05    --  -78.22-125.00   0.00   70
 18  ω   -107.00 -82.00   0.50    0.05    --  -78.22-125.00   0.00   50
 19  ω   -150.00 -82.00   0.50    0.05    --  -78.22-125.00 120.00  136
 20  ω    -46.00  -1.00   0.50    0.05    --  -78.22  38.00   0.00   90
 21  ω    -52.00 -26.00   0.50    0.05    --  -78.22  73.00 -12.00   52
 22  ω    -29.00  -4.00   0.50    0.05    --  -78.22  77.00 150.00   50
 23  ω    -70.00 -45.00   0.50    0.05    --  -78.22  77.00 150.00   50
 24  ω   -100.00 -72.00   0.50    0.05    --  -78.22  77.00 150.00   56
 25  ω    -23.00  67.00   0.50    0.05    --   -0.94  73.00 -12.00  180
 26  ω    -70.00  -1.00   0.50    0.05    --  -78.22  38.00-120.00  138
 27  ω   -106.00 -26.00   0.50    0.05    --  -78.22 125.00-150.00  160
 28  ω   -106.00 -21.00   0.50    0.05    --  -78.22 125.00   0.00  170
 29  ω   -108.00 -49.00   0.50    0.05    --  -78.22 125.00 120.00  118
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'ROD, Synergy Custom system, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0425723000
_diffrn_orient_matrix_UB_12      0.0671698000
_diffrn_orient_matrix_UB_13      0.0171202000
_diffrn_orient_matrix_UB_21      0.0298857000
_diffrn_orient_matrix_UB_22      0.0161915000
_diffrn_orient_matrix_UB_23      -0.0740051000
_diffrn_orient_matrix_UB_31      -0.0946332000
_diffrn_orient_matrix_UB_32      -0.0816430000
_diffrn_orient_matrix_UB_33      -0.0543444000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           GaK\a
_diffrn_radiation_wavelength     1.3405
_diffrn_source                   'micro-focus metaljet'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                10966
_reflns_number_total             12467
_reflns_odcompleteness_completeness 99.93
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     56.82
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.41.115a (Rigaku OD, 2021)'
_computing_data_collection       'CrysAlisPro 1.171.41.115a (Rigaku OD, 2021)'
_computing_data_reduction        'CrysAlisPro 1.171.41.115a (Rigaku OD, 2021)'
_computing_molecular_graphics    'Olex2 1.5-beta (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5-beta (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         1.703
_refine_diff_density_min         -1.646
_refine_diff_density_rms         0.099
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.065
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     723
_refine_ls_number_reflns         12467
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0492
_refine_ls_R_factor_gt           0.0419
_refine_ls_restrained_S_all      1.065
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0364P)²+7.7555P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1011
_refine_ls_wR_factor_ref         0.1056
_refine_special_details          ?
_olex2_refinement_description    
;
1. Restrained distances
 H1C-H015
 2.1 with sigma of 0.02
2. Others
 Fixed Sof: Ag02(0.9) Ag1(0.1)
3.a Secondary CH2 refined with riding coordinates:
 C00R(H00A,H00B), C020(H02A,H02B), C021(H02C,H02D), N2(H2A,H2B)
3.b Aromatic/amide H refined with riding coordinates:
 C00T(H00T), C00U(H00U), C00X(H00X), C00Y(H00Y), C010(H010), C011(H011),
 C013(H013), C014(H014), C015(H015), C016(H016), C017(H017), C018(H018),
 C019(H019), C01A(H01A), C01B(H01B), C01D(H01D), C01E(H01E), C01F(H01F),
 C01G(H01G), C01H(H01H), C01J(H01J), C01K(H01K), C01L(H01L), C01M(H01M),
 C01N(H01N), C01O(H01O), C01P(H01P), C01Q(H01Q), C01R(H01R), C01S(H01S),
 C01T(H01T), C01U(H01U), C01V(H01V), C01W(H01W), C01X(H01X), C01Y(H01Y),
 C01Z(H01Z), C022(H022), C023(H023), C024(H024)
3.c Idealised Me refined as rotating group:
 C1(H1A,H1B,H1C), C0AA(H0AA,H0AB,H0AC)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag01 Ag 0.59143(2) 0.49839(2) 0.95573(2) 0.02295(7) Uani 1 1 d . . . . .
Ag02 Ag 0.14213(3) 0.30186(4) 0.32866(4) 0.04361(13) Uani 0.9 1 d . . P A 1
P003 P 0.52697(6) 0.68767(6) 1.14551(5) 0.02086(16) Uani 1 1 d . . . . .
P004 P 0.71176(6) 0.64017(6) 1.09901(6) 0.02158(16) Uani 1 1 d . . . . .
Al05 Al 0.55554(7) 0.56160(7) 0.59768(6) 0.01499(16) Uani 1 1 d . . . . .
Al06 Al 0.66101(7) 0.40675(7) 0.45393(6) 0.01890(18) Uani 1 1 d . . . . .
P007 P -0.03493(7) 0.27706(7) 0.31186(9) 0.0431(3) Uani 1 1 d . . . . .
O008 O 0.57484(15) 0.55385(15) 0.47889(14) 0.0158(4) Uani 1 1 d . . . . .
O009 O 0.51421(16) 0.35239(16) 0.39189(14) 0.0171(4) Uani 1 1 d . . . . .
O00A O 0.52719(16) 0.55080(17) 0.70524(14) 0.0190(4) Uani 1 1 d . . . . .
O00B O 0.31081(16) 0.31625(16) 0.34250(14) 0.0176(4) Uani 1 1 d . . . . .
O00C O 0.62289(16) 0.47152(16) 0.57301(14) 0.0171(4) Uani 1 1 d . . . . .
O00D O 0.56007(18) 0.55420(19) 0.84174(15) 0.0263(5) Uani 1 1 d . . . . .
O00E O 0.74663(18) 0.51605(19) 0.43536(17) 0.0274(5) Uani 1 1 d . . . . .
O00F O 0.7451(2) 0.3874(2) 0.52484(17) 0.0330(6) Uani 1 1 d . . . . .
O00G O 0.65633(19) 0.2934(2) 0.35310(19) 0.0386(7) Uani 1 1 d . . . . .
C00H C 0.5826(2) 0.5433(2) 0.7651(2) 0.0188(6) Uani 1 1 d . . . . .
C00I C 0.4763(2) 0.2515(2) 0.3219(2) 0.0191(6) Uani 1 1 d . . . . .
C00J C 0.6813(2) 0.4762(2) 0.6451(2) 0.0194(6) Uani 1 1 d . . . . .
C00K C 0.6616(2) 0.6276(2) 0.4634(2) 0.0188(6) Uani 1 1 d . . . . .
C00L C 0.6714(2) 0.5154(2) 0.7378(2) 0.0192(6) Uani 1 1 d . . . . .
C00M C 0.8083(3) 0.7584(2) 1.0903(2) 0.0261(7) Uani 1 1 d . . . . .
C00N C 0.5698(3) 0.7765(2) 1.0907(2) 0.0226(6) Uani 1 1 d . . . . .
C00O C 0.3700(2) 0.1833(2) 0.2745(2) 0.0212(6) Uani 1 1 d . . . . .
C00P C 0.7494(2) 0.6075(3) 0.4442(2) 0.0222(6) Uani 1 1 d . . . . .
O00Q O 0.1900(2) 0.1524(2) 0.2555(3) 0.0820(15) Uani 1 1 d . . . . .
C00R C 0.6500(3) 0.6923(3) 1.1945(2) 0.0239(6) Uani 1 1 d . . . . .
H00A H 0.631803 0.648618 1.229463 0.029 Uiso 1 1 calc R . . . .
H00B H 0.701423 0.766757 1.238166 0.029 Uiso 1 1 calc R . . . .
C00S C 0.2846(3) 0.2162(3) 0.2906(3) 0.0299(8) Uani 1 1 d . . . . .
C00T C 0.6482(3) 0.8828(3) 1.1415(2) 0.0271(7) Uani 1 1 d . . . . .
H00T H 0.681725 0.907403 1.204170 0.032 Uiso 1 1 calc R . . . .
C00U C 0.7897(3) 0.7725(3) 1.0123(3) 0.0311(8) Uani 1 1 d . . . . .
H00U H 0.730947 0.717731 0.961603 0.037 Uiso 1 1 calc R . . . .
C00V C 0.4854(3) 0.7593(3) 1.2464(2) 0.0263(7) Uani 1 1 d . . . . .
C00W C 0.7901(3) 0.5911(3) 1.1418(2) 0.0289(7) Uani 1 1 d . . . . .
C00X C 0.6652(3) 0.7223(3) 0.4730(2) 0.0284(7) Uani 1 1 d . . . . .
H00X H 0.604988 0.734974 0.486083 0.034 Uiso 1 1 calc R . . . .
C00Y C 0.7402(3) 0.5157(3) 0.8033(2) 0.0288(7) Uani 1 1 d . . . . .
H00Y H 0.738047 0.544750 0.867372 0.035 Uiso 1 1 calc R . . . .
C00Z C 0.7513(3) 0.4309(3) 0.6163(2) 0.0287(7) Uani 1 1 d . . . . .
C010 C 0.5213(3) 0.7406(3) 0.9989(2) 0.0274(7) Uani 1 1 d . . . . .
H010 H 0.468053 0.668461 0.963888 0.033 Uiso 1 1 calc R . . . .
C011 C 0.4927(3) 0.7480(3) 1.3280(2) 0.0314(7) Uani 1 1 d . . . . .
H011 H 0.522172 0.704207 1.333006 0.038 Uiso 1 1 calc R . . . .
C012 C 0.5572(3) 0.2195(3) 0.3023(2) 0.0272(7) Uani 1 1 d . . . . .
C013 C 0.3435(3) 0.0791(3) 0.2075(2) 0.0274(7) Uani 1 1 d . . . . .
H013 H 0.270818 0.030728 0.174837 0.033 Uiso 1 1 calc R . . . .
C014 C 0.8415(3) 0.6864(3) 0.4363(3) 0.0312(7) Uani 1 1 d . . . . .
H014 H 0.902254 0.674597 0.423860 0.037 Uiso 1 1 calc R . . . .
C015 C 0.8955(3) 0.8377(3) 1.1641(3) 0.0377(9) Uani 1 1 d . . . . .
H015 H 0.908202 0.827689 1.217576 0.045 Uiso 1 1 calc DR . . . .
C016 C -0.2204(3) 0.1640(3) 0.3655(3) 0.0363(9) Uani 1 1 d . . . . .
H016 H -0.244577 0.212031 0.361869 0.044 Uiso 1 1 calc R . . . .
C017 C 0.4220(3) 0.0472(3) 0.1893(2) 0.0288(7) Uani 1 1 d . . . . .
H017 H 0.402782 -0.023466 0.144544 0.035 Uiso 1 1 calc R . . . .
C018 C 0.8155(3) 0.4293(4) 0.6822(3) 0.0392(9) Uani 1 1 d . . . . .
H018 H 0.862061 0.397987 0.663783 0.047 Uiso 1 1 calc R . . . .
C019 C 0.6770(3) 0.9520(3) 1.1010(3) 0.0345(8) Uani 1 1 d . . . . .
H019 H 0.730320 1.024090 1.135732 0.041 Uiso 1 1 calc R . . . .
C01A C 0.7567(3) 0.7994(3) 0.4638(3) 0.0369(8) Uani 1 1 d . . . . .
H01A H 0.758829 0.864179 0.469450 0.044 Uiso 1 1 calc R . . . .
C01B C -0.0853(3) 0.1045(3) 0.3547(3) 0.0418(10) Uani 1 1 d . . . . .
H01B H -0.016828 0.111149 0.342944 0.050 Uiso 1 1 calc R . . . .
C01C C -0.1203(3) 0.1740(3) 0.3460(3) 0.0354(9) Uani 1 1 d . . . . .
C01D C 0.8446(3) 0.7811(3) 0.4462(3) 0.0380(9) Uani 1 1 d . . . . .
H01D H 0.907676 0.834115 0.441004 0.046 Uiso 1 1 calc R . . . .
C01E C 0.7523(4) 0.5363(3) 1.1956(3) 0.0382(9) Uani 1 1 d . . . . .
H01E H 0.688602 0.531678 1.217740 0.046 Uiso 1 1 calc R . . . .
C01F C 0.5515(3) 0.8116(3) 0.9582(3) 0.0371(8) Uani 1 1 d . . . . .
H01F H 0.519309 0.787608 0.895327 0.045 Uiso 1 1 calc R . . . .
C01G C 0.5299(3) 0.1171(3) 0.2356(3) 0.0323(8) Uani 1 1 d . . . . .
H01G H 0.583824 0.094641 0.221624 0.039 Uiso 1 1 calc R . . . .
C01H C -0.2839(3) 0.0852(4) 0.3900(3) 0.0417(10) Uani 1 1 d . . . . .
H01H H -0.352485 0.078003 0.401676 0.050 Uiso 1 1 calc R . . . .
C01I C -0.0966(3) 0.2406(3) 0.1941(4) 0.0438(11) Uani 1 1 d . . . . .
C01J C 0.8576(4) 0.8675(3) 1.0082(3) 0.0450(10) Uani 1 1 d . . . . .
H01J H 0.845219 0.877942 0.954947 0.054 Uiso 1 1 calc R . . . .
C01K C 0.8111(3) 0.4740(4) 0.7754(3) 0.0396(9) Uani 1 1 d . . . . .
H01K H 0.857702 0.476035 0.820978 0.047 Uiso 1 1 calc R . . . .
C01L C 0.6283(4) 0.9166(3) 1.0100(3) 0.0389(9) Uani 1 1 d . . . . .
H01L H 0.647790 0.964872 0.982701 0.047 Uiso 1 1 calc R . . . .
C01M C 0.8813(3) 0.5943(4) 1.1069(3) 0.0455(10) Uani 1 1 d . . . . .
H01M H 0.906870 0.630792 1.069408 0.055 Uiso 1 1 calc R . . . .
C01N C 0.4567(3) 0.8008(3) 1.4025(3) 0.0399(9) Uani 1 1 d . . . . .
H01N H 0.461269 0.792457 1.458087 0.048 Uiso 1 1 calc R . . . .
C01O C -0.2488(4) 0.0160(4) 0.3977(3) 0.0460(10) Uani 1 1 d . . . . .
H01O H -0.292955 -0.038100 0.414864 0.055 Uiso 1 1 calc R . . . .
C01P C -0.1989(3) 0.2325(3) 0.1725(4) 0.0489(12) Uani 1 1 d . . . . .
H01P H -0.239293 0.242335 0.219441 0.059 Uiso 1 1 calc R . . . .
C01Q C -0.1489(4) 0.0262(4) 0.3802(3) 0.0466(10) Uani 1 1 d . . . . .
H01Q H -0.124373 -0.020783 0.385847 0.056 Uiso 1 1 calc R . . . .
C01R C 0.4419(3) 0.8239(4) 1.2406(3) 0.0411(9) Uani 1 1 d . . . . .
H01R H 0.435897 0.831607 1.184787 0.049 Uiso 1 1 calc R . . . .
C01S C 0.9635(4) 0.9312(3) 1.1592(3) 0.0512(12) Uani 1 1 d . . . . .
H01S H 1.024200 0.984751 1.208649 0.061 Uiso 1 1 calc R . . . .
C01T C 0.8084(4) 0.4881(4) 1.2170(3) 0.0477(11) Uani 1 1 d . . . . .
H01T H 0.784361 0.453071 1.255791 0.057 Uiso 1 1 calc R . . . .
C01U C 0.9432(4) 0.9463(3) 1.0827(4) 0.0557(14) Uani 1 1 d . . . . .
H01U H 0.988577 1.011805 1.080890 0.067 Uiso 1 1 calc R . . . .
C01V C -0.2409(4) 0.2103(3) 0.0835(4) 0.0547(13) Uani 1 1 d . . . . .
H01V H -0.310559 0.203620 0.069489 0.066 Uiso 1 1 calc R . . . .
C01W C 0.8982(4) 0.4914(4) 1.1822(3) 0.0493(11) Uani 1 1 d . . . . .
H01W H 0.935120 0.457236 1.195975 0.059 Uiso 1 1 calc R . . . .
C01X C -0.0399(4) 0.2269(4) 0.1241(4) 0.0572(14) Uani 1 1 d . . . . .
H01X H 0.029236 0.231914 0.137073 0.069 Uiso 1 1 calc R . . . .
C01Y C -0.1832(4) 0.1976(4) 0.0147(4) 0.0592(13) Uani 1 1 d . . . . .
H01Y H -0.212374 0.183352 -0.046129 0.071 Uiso 1 1 calc R . . . .
C01Z C 0.9352(4) 0.5439(4) 1.1272(4) 0.0550(12) Uani 1 1 d . . . . .
H01Z H 0.997322 0.545696 1.103244 0.066 Uiso 1 1 calc R . . . .
C020 C -0.0520(3) 0.3940(3) 0.3775(4) 0.0572(14) Uani 1 1 d . . . . .
H02A H -0.018420 0.446832 0.352421 0.069 Uiso 1 1 calc R . . . .
H02B H -0.129937 0.373457 0.369501 0.069 Uiso 1 1 calc R . . . .
C021 C -0.0040(3) 0.4433(3) 0.4765(4) 0.0525(12) Uani 1 1 d . . . . .
H02C H 0.068784 0.448437 0.484842 0.063 Uiso 1 1 calc R . . . .
H02D H -0.048911 0.398988 0.505916 0.063 Uiso 1 1 calc R . . . .
C022 C 0.4144(4) 0.8653(4) 1.3962(3) 0.0480(11) Uani 1 1 d . . . . .
H022 H 0.390276 0.901526 1.447402 0.058 Uiso 1 1 calc R . . . .
C023 C -0.0828(4) 0.2057(4) 0.0350(4) 0.0641(14) Uani 1 1 d . . . . .
H023 H -0.042623 0.196827 -0.012262 0.077 Uiso 1 1 calc R . . . .
C024 C 0.4074(4) 0.8769(4) 1.3154(3) 0.0519(11) Uani 1 1 d . . . . .
H024 H 0.378721 0.921511 1.311013 0.062 Uiso 1 1 calc R . . . .
C1 C 1.0761(5) 0.9618(5) 1.3671(5) 0.092(2) Uani 1 1 d . . . . .
H1A H 1.078892 1.008719 1.338665 0.139 Uiso 1 1 calc GR . . . .
H1B H 1.102715 1.003932 1.434790 0.139 Uiso 1 1 calc GR . . . .
H1C H 1.001423 0.906795 1.353632 0.139 Uiso 1 1 calc DGR . . . .
C0AA C 1.0983(6) 0.8069(7) 1.3418(5) 0.103(3) Uani 1 1 d . . . . .
H0AA H 1.021676 0.764149 1.311125 0.154 Uiso 1 1 calc GR . . . .
H0AB H 1.106264 0.826342 1.408713 0.154 Uiso 1 1 calc GR . . . .
H0AC H 1.136556 0.765293 1.314869 0.154 Uiso 1 1 calc GR . . . .
N2 N 1.1460(6) 0.9089(10) 1.3273(7) 0.177(5) Uani 1 1 d . . . . .
H2A H 1.216159 0.951951 1.358459 0.213 Uiso 1 1 calc R . . . .
H2B H 1.141997 0.892780 1.265722 0.213 Uiso 1 1 calc R . . . .
Ag1 Ag 0.1410(3) 0.2890(4) 0.3611(3) 0.0275(8) Uani 0.1 1 d . . P A 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag01 Ag01 2.9558(5) 2_667 ?
Ag01 P003 2.4164(8) 2_667 ?
Ag01 P004 2.3868(8) . ?
Ag01 O00D 2.396(2) . ?
Ag02 P007 2.3372(10) . ?
Ag02 O00B 2.275(2) . ?
Ag02 O00Q 2.509(3) . ?
P003 C00N 1.804(3) . ?
P003 C00R 1.840(3) . ?
P003 C00V 1.824(3) . ?
P004 C00M 1.814(3) . ?
P004 C00R 1.840(3) . ?
P004 C00W 1.819(3) . ?
Al05 Al05 2.9091(16) 2_666 ?
Al05 O008 1.865(2) 2_666 ?
Al05 O008 1.885(2) . ?
Al05 O009 1.907(2) 2_666 ?
Al05 O00A 1.824(2) . ?
Al05 O00B 1.876(2) 2_666 ?
Al05 O00C 1.907(2) . ?
Al06 O009 1.934(2) . ?
Al06 O00C 1.973(2) . ?
Al06 O00E 1.748(3) . ?
Al06 O00F 1.806(2) . ?
Al06 O00G 1.826(3) . ?
P007 C01C 1.828(5) . ?
P007 C01I 1.818(5) . ?
P007 C020 1.810(4) . ?
P007 Ag1 2.480(4) . ?
O008 C00K 1.377(4) . ?
O009 C00I 1.365(3) . ?
O00A C00H 1.288(4) . ?
O00B C00S 1.304(4) . ?
O00B Ag1 2.281(5) . ?
O00C C00J 1.359(3) . ?
O00D C00H 1.234(4) . ?
O00E C00P 1.338(4) . ?
O00F C00Z 1.330(4) . ?
O00G C012 1.338(4) . ?
C00H C00L 1.497(4) . ?
C00I C00O 1.384(4) . ?
C00I C012 1.408(4) . ?
C00J C00L 1.397(4) . ?
C00J C00Z 1.412(4) . ?
C00K C00P 1.400(4) . ?
C00K C00X 1.379(4) . ?
C00L C00Y 1.406(4) . ?
C00M C00U 1.382(5) . ?
C00M C015 1.393(5) . ?
C00N C00T 1.399(5) . ?
C00N C010 1.389(5) . ?
C00O C00S 1.472(4) . ?
C00O C013 1.410(4) . ?
C00P C014 1.401(5) . ?
O00Q C00S 1.218(4) . ?
O00Q Ag1 2.488(5) . ?
C00R H00A 0.9900 . ?
C00R H00B 0.9900 . ?
C00T H00T 0.9500 . ?
C00T C019 1.376(5) . ?
C00U H00U 0.9500 . ?
C00U C01J 1.395(5) . ?
C00V C011 1.386(5) . ?
C00V C01R 1.392(5) . ?
C00W C01E 1.390(5) . ?
C00W C01M 1.391(6) . ?
C00X H00X 0.9500 . ?
C00X C01A 1.392(5) . ?
C00Y H00Y 0.9500 . ?
C00Y C01K 1.384(5) . ?
C00Z C018 1.384(5) . ?
C010 H010 0.9500 . ?
C010 C01F 1.401(5) . ?
C011 H011 0.9500 . ?
C011 C01N 1.391(5) . ?
C012 C01G 1.387(4) . ?
C013 H013 0.9500 . ?
C013 C017 1.372(5) . ?
C014 H014 0.9500 . ?
C014 C01D 1.381(5) . ?
C015 H015 0.9500 . ?
C015 C01S 1.385(6) . ?
C016 H016 0.9500 . ?
C016 C01C 1.399(5) . ?
C016 C01H 1.374(6) . ?
C017 H017 0.9500 . ?
C017 C01G 1.400(5) . ?
C018 H018 0.9500 . ?
C018 C01K 1.390(6) . ?
C019 H019 0.9500 . ?
C019 C01L 1.380(6) . ?
C01A H01A 0.9500 . ?
C01A C01D 1.382(6) . ?
C01B H01B 0.9500 . ?
C01B C01C 1.397(6) . ?
C01B C01Q 1.380(7) . ?
C01D H01D 0.9500 . ?
C01E H01E 0.9500 . ?
C01E C01T 1.398(5) . ?
C01F H01F 0.9500 . ?
C01F C01L 1.382(6) . ?
C01G H01G 0.9500 . ?
C01H H01H 0.9500 . ?
C01H C01O 1.386(6) . ?
C01I C01P 1.408(5) . ?
C01I C01X 1.383(7) . ?
C01J H01J 0.9500 . ?
C01J C01U 1.387(7) . ?
C01K H01K 0.9500 . ?
C01L H01L 0.9500 . ?
C01M H01M 0.9500 . ?
C01M C01Z 1.396(6) . ?
C01N H01N 0.9500 . ?
C01N C022 1.381(6) . ?
C01O H01O 0.9500 . ?
C01O C01Q 1.386(6) . ?
C01P H01P 0.9500 . ?
C01P C01V 1.379(7) . ?
C01Q H01Q 0.9500 . ?
C01R H01R 0.9500 . ?
C01R C024 1.383(6) . ?
C01S H01S 0.9500 . ?
C01S C01U 1.376(8) . ?
C01T H01T 0.9500 . ?
C01T C01W 1.374(7) . ?
C01U H01U 0.9500 . ?
C01V H01V 0.9500 . ?
C01V C01Y 1.375(8) . ?
C01W H01W 0.9500 . ?
C01W C01Z 1.382(7) . ?
C01X H01X 0.9500 . ?
C01X C023 1.391(8) . ?
C01Y H01Y 0.9500 . ?
C01Y C023 1.379(7) . ?
C01Z H01Z 0.9500 . ?
C020 H02A 0.9900 . ?
C020 H02B 0.9900 . ?
C020 C021 1.456(7) . ?
C021 C021 1.556(8) 2_566 ?
C021 H02C 0.9900 . ?
C021 H02D 0.9900 . ?
C022 H022 0.9500 . ?
C022 C024 1.376(7) . ?
C023 H023 0.9500 . ?
C024 H024 0.9500 . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C1 N2 1.520(12) . ?
C0AA H0AA 0.9800 . ?
C0AA H0AB 0.9800 . ?
C0AA H0AC 0.9800 . ?
C0AA N2 1.536(12) . ?
N2 H2A 0.9100 . ?
N2 H2B 0.9100 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P003 Ag01 Ag01 87.09(2) 2_667 2_667 ?
P004 Ag01 Ag01 88.80(2) . 2_667 ?
P004 Ag01 P003 152.71(3) . 2_667 ?
P004 Ag01 O00D 114.62(6) . . ?
O00D Ag01 Ag01 98.05(6) . 2_667 ?
O00D Ag01 P003 92.67(6) . 2_667 ?
P007 Ag02 O00Q 123.22(7) . . ?
O00B Ag02 P007 176.87(6) . . ?
O00B Ag02 O00Q 53.81(8) . . ?
C00N P003 Ag01 116.34(11) . 2_667 ?
C00N P003 C00R 106.32(15) . . ?
C00N P003 C00V 102.50(15) . . ?
C00R P003 Ag01 105.86(11) . 2_667 ?
C00V P003 Ag01 119.75(11) . 2_667 ?
C00V P003 C00R 104.89(15) . . ?
C00M P004 Ag01 115.11(12) . . ?
C00M P004 C00R 103.91(15) . . ?
C00M P004 C00W 106.38(17) . . ?
C00R P004 Ag01 116.67(11) . . ?
C00W P004 Ag01 107.78(11) . . ?
C00W P004 C00R 106.24(16) . . ?
O008 Al05 Al05 39.37(6) 2_666 2_666 ?
O008 Al05 Al05 38.87(6) . 2_666 ?
O008 Al05 O008 78.24(10) 2_666 . ?
O008 Al05 O009 89.73(9) . 2_666 ?
O008 Al05 O009 85.93(9) 2_666 2_666 ?
O008 Al05 O00B 170.21(10) 2_666 2_666 ?
O008 Al05 O00C 84.23(9) . . ?
O008 Al05 O00C 91.15(9) 2_666 . ?
O009 Al05 Al05 87.22(7) 2_666 2_666 ?
O00A Al05 Al05 135.02(9) . 2_666 ?
O00A Al05 O008 95.78(10) . 2_666 ?
O00A Al05 O008 172.78(10) . . ?
O00A Al05 O009 93.91(10) . 2_666 ?
O00A Al05 O00B 93.71(10) . 2_666 ?
O00A Al05 O00C 91.91(10) . . ?
O00B Al05 Al05 131.26(9) 2_666 2_666 ?
O00B Al05 O008 92.46(9) 2_666 . ?
O00B Al05 O009 91.01(9) 2_666 2_666 ?
O00B Al05 O00C 90.96(9) 2_666 . ?
O00C Al05 Al05 87.00(7) . 2_666 ?
O00C Al05 O009 173.72(10) . 2_666 ?
O009 Al06 O00C 88.17(9) . . ?
O00E Al06 O009 109.73(11) . . ?
O00E Al06 O00C 104.03(11) . . ?
O00E Al06 O00F 106.52(13) . . ?
O00E Al06 O00G 102.88(13) . . ?
O00F Al06 O009 143.75(12) . . ?
O00F Al06 O00C 83.20(10) . . ?
O00F Al06 O00G 88.48(12) . . ?
O00G Al06 O009 83.53(10) . . ?
O00G Al06 O00C 153.08(13) . . ?
C01C P007 Ag02 110.81(12) . . ?
C01C P007 Ag1 98.12(15) . . ?
C01I P007 Ag02 113.72(14) . . ?
C01I P007 C01C 108.18(17) . . ?
C01I P007 Ag1 126.11(16) . . ?
C020 P007 Ag02 115.86(14) . . ?
C020 P007 C01C 106.7(2) . . ?
C020 P007 C01I 100.8(2) . . ?
C020 P007 Ag1 115.62(18) . . ?
Al05 O008 Al05 101.76(10) 2_666 . ?
C00K O008 Al05 133.36(18) . 2_666 ?
C00K O008 Al05 124.44(17) . . ?
Al05 O009 Al06 124.48(11) 2_666 . ?
C00I O009 Al05 122.33(17) . 2_666 ?
C00I O009 Al06 111.18(17) . . ?
C00H O00A Al05 129.9(2) . . ?
Al05 O00B Ag02 129.56(10) 2_666 . ?
Al05 O00B Ag1 130.53(15) 2_666 . ?
C00S O00B Ag02 97.86(18) . . ?
C00S O00B Al05 132.4(2) . 2_666 ?
C00S O00B Ag1 96.1(2) . . ?
Al05 O00C Al06 125.51(11) . . ?
C00J O00C Al05 119.65(18) . . ?
C00J O00C Al06 111.44(18) . . ?
C00H O00D Ag01 135.1(2) . . ?
C00P O00E Al06 136.4(2) . . ?
C00Z O00F Al06 116.7(2) . . ?
C012 O00G Al06 114.7(2) . . ?
O00A C00H C00L 118.5(3) . . ?
O00D C00H O00A 121.0(3) . . ?
O00D C00H C00L 120.5(3) . . ?
O009 C00I C00O 125.8(3) . . ?
O009 C00I C012 113.0(3) . . ?
C00O C00I C012 121.2(3) . . ?
O00C C00J C00L 125.4(3) . . ?
O00C C00J C00Z 112.7(3) . . ?
C00L C00J C00Z 121.8(3) . . ?
O008 C00K C00P 118.2(3) . . ?
O008 C00K C00X 120.9(3) . . ?
C00X C00K C00P 120.8(3) . . ?
C00J C00L C00H 121.7(3) . . ?
C00J C00L C00Y 117.3(3) . . ?
C00Y C00L C00H 120.6(3) . . ?
C00U C00M P004 119.0(3) . . ?
C00U C00M C015 120.4(3) . . ?
C015 C00M P004 120.4(3) . . ?
C00T C00N P003 120.2(3) . . ?
C010 C00N P003 119.9(3) . . ?
C010 C00N C00T 119.8(3) . . ?
C00I C00O C00S 122.3(3) . . ?
C00I C00O C013 118.5(3) . . ?
C013 C00O C00S 119.2(3) . . ?
O00E C00P C00K 121.0(3) . . ?
O00E C00P C014 120.6(3) . . ?
C00K C00P C014 118.4(3) . . ?
C00S O00Q Ag02 89.1(2) . . ?
C00S O00Q Ag1 88.7(2) . . ?
P003 C00R P004 109.22(16) . . ?
P003 C00R H00A 109.8 . . ?
P003 C00R H00B 109.8 . . ?
P004 C00R H00A 109.8 . . ?
P004 C00R H00B 109.8 . . ?
H00A C00R H00B 108.3 . . ?
O00B C00S C00O 119.3(3) . . ?
O00Q C00S O00B 119.2(3) . . ?
O00Q C00S C00O 121.5(3) . . ?
C00N C00T H00T 119.9 . . ?
C019 C00T C00N 120.2(3) . . ?
C019 C00T H00T 119.9 . . ?
C00M C00U H00U 120.1 . . ?
C00M C00U C01J 119.9(4) . . ?
C01J C00U H00U 120.1 . . ?
C011 C00V P003 121.5(3) . . ?
C011 C00V C01R 119.1(3) . . ?
C01R C00V P003 119.4(3) . . ?
C01E C00W P004 121.6(3) . . ?
C01E C00W C01M 119.8(3) . . ?
C01M C00W P004 117.8(3) . . ?
C00K C00X H00X 119.9 . . ?
C00K C00X C01A 120.2(3) . . ?
C01A C00X H00X 119.9 . . ?
C00L C00Y H00Y 119.6 . . ?
C01K C00Y C00L 120.8(3) . . ?
C01K C00Y H00Y 119.6 . . ?
O00F C00Z C00J 115.5(3) . . ?
O00F C00Z C018 125.1(3) . . ?
C018 C00Z C00J 119.2(3) . . ?
C00N C010 H010 120.3 . . ?
C00N C010 C01F 119.5(3) . . ?
C01F C010 H010 120.3 . . ?
C00V C011 H011 120.0 . . ?
C00V C011 C01N 120.0(4) . . ?
C01N C011 H011 120.0 . . ?
O00G C012 C00I 114.9(3) . . ?
O00G C012 C01G 125.5(3) . . ?
C01G C012 C00I 119.6(3) . . ?
C00O C013 H013 119.8 . . ?
C017 C013 C00O 120.4(3) . . ?
C017 C013 H013 119.8 . . ?
C00P C014 H014 119.7 . . ?
C01D C014 C00P 120.5(3) . . ?
C01D C014 H014 119.7 . . ?
C00M C015 H015 120.2 . . ?
C01S C015 C00M 119.6(4) . . ?
C01S C015 H015 120.2 . . ?
C01C C016 H016 119.8 . . ?
C01H C016 H016 119.8 . . ?
C01H C016 C01C 120.3(4) . . ?
C013 C017 H017 119.5 . . ?
C013 C017 C01G 121.1(3) . . ?
C01G C017 H017 119.5 . . ?
C00Z C018 H018 120.3 . . ?
C00Z C018 C01K 119.4(3) . . ?
C01K C018 H018 120.3 . . ?
C00T C019 H019 120.0 . . ?
C00T C019 C01L 120.0(3) . . ?
C01L C019 H019 120.0 . . ?
C00X C01A H01A 120.2 . . ?
C01D C01A C00X 119.6(3) . . ?
C01D C01A H01A 120.2 . . ?
C01C C01B H01B 119.6 . . ?
C01Q C01B H01B 119.6 . . ?
C01Q C01B C01C 120.8(4) . . ?
C016 C01C P007 121.3(3) . . ?
C01B C01C P007 120.1(3) . . ?
C01B C01C C016 118.6(4) . . ?
C014 C01D C01A 120.6(3) . . ?
C014 C01D H01D 119.7 . . ?
C01A C01D H01D 119.7 . . ?
C00W C01E H01E 120.2 . . ?
C00W C01E C01T 119.7(4) . . ?
C01T C01E H01E 120.2 . . ?
C010 C01F H01F 120.1 . . ?
C01L C01F C010 119.8(3) . . ?
C01L C01F H01F 120.1 . . ?
C012 C01G C017 119.2(3) . . ?
C012 C01G H01G 120.4 . . ?
C017 C01G H01G 120.4 . . ?
C016 C01H H01H 119.7 . . ?
C016 C01H C01O 120.6(4) . . ?
C01O C01H H01H 119.7 . . ?
C01P C01I P007 121.9(4) . . ?
C01X C01I P007 119.9(3) . . ?
C01X C01I C01P 118.1(5) . . ?
C00U C01J H01J 120.4 . . ?
C01U C01J C00U 119.2(4) . . ?
C01U C01J H01J 120.4 . . ?
C00Y C01K C018 121.3(3) . . ?
C00Y C01K H01K 119.4 . . ?
C018 C01K H01K 119.4 . . ?
C019 C01L C01F 120.7(3) . . ?
C019 C01L H01L 119.7 . . ?
C01F C01L H01L 119.7 . . ?
C00W C01M H01M 120.1 . . ?
C00W C01M C01Z 119.9(4) . . ?
C01Z C01M H01M 120.1 . . ?
C011 C01N H01N 119.7 . . ?
C022 C01N C011 120.5(4) . . ?
C022 C01N H01N 119.7 . . ?
C01H C01O H01O 120.1 . . ?
C01Q C01O C01H 119.8(4) . . ?
C01Q C01O H01O 120.1 . . ?
C01I C01P H01P 119.8 . . ?
C01V C01P C01I 120.3(5) . . ?
C01V C01P H01P 119.8 . . ?
C01B C01Q C01O 120.0(4) . . ?
C01B C01Q H01Q 120.0 . . ?
C01O C01Q H01Q 120.0 . . ?
C00V C01R H01R 119.8 . . ?
C024 C01R C00V 120.5(4) . . ?
C024 C01R H01R 119.8 . . ?
C015 C01S H01S 120.0 . . ?
C01U C01S C015 120.0(4) . . ?
C01U C01S H01S 120.0 . . ?
C01E C01T H01T 119.9 . . ?
C01W C01T C01E 120.2(4) . . ?
C01W C01T H01T 119.9 . . ?
C01J C01U H01U 119.5 . . ?
C01S C01U C01J 121.0(4) . . ?
C01S C01U H01U 119.5 . . ?
C01P C01V H01V 119.5 . . ?
C01Y C01V C01P 120.9(5) . . ?
C01Y C01V H01V 119.5 . . ?
C01T C01W H01W 119.8 . . ?
C01T C01W C01Z 120.5(4) . . ?
C01Z C01W H01W 119.8 . . ?
C01I C01X H01X 119.6 . . ?
C01I C01X C023 120.9(4) . . ?
C023 C01X H01X 119.6 . . ?
C01V C01Y H01Y 120.3 . . ?
C01V C01Y C023 119.4(6) . . ?
C023 C01Y H01Y 120.3 . . ?
C01M C01Z H01Z 120.0 . . ?
C01W C01Z C01M 119.9(4) . . ?
C01W C01Z H01Z 120.0 . . ?
P007 C020 H02A 109.2 . . ?
P007 C020 H02B 109.2 . . ?
H02A C020 H02B 107.9 . . ?
C021 C020 P007 112.2(3) . . ?
C021 C020 H02A 109.2 . . ?
C021 C020 H02B 109.2 . . ?
C020 C021 C021 109.1(5) . 2_566 ?
C020 C021 H02C 109.9 . . ?
C020 C021 H02D 109.9 . . ?
C021 C021 H02C 109.9 2_566 . ?
C021 C021 H02D 109.9 2_566 . ?
H02C C021 H02D 108.3 . . ?
C01N C022 H022 120.2 . . ?
C024 C022 C01N 119.6(4) . . ?
C024 C022 H022 120.2 . . ?
C01X C023 H023 119.8 . . ?
C01Y C023 C01X 120.4(5) . . ?
C01Y C023 H023 119.8 . . ?
C01R C024 H024 119.8 . . ?
C022 C024 C01R 120.4(4) . . ?
C022 C024 H024 119.8 . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
N2 C1 H1A 109.5 . . ?
N2 C1 H1B 109.5 . . ?
N2 C1 H1C 109.5 . . ?
H0AA C0AA H0AB 109.5 . . ?
H0AA C0AA H0AC 109.5 . . ?
H0AB C0AA H0AC 109.5 . . ?
N2 C0AA H0AA 109.5 . . ?
N2 C0AA H0AB 109.5 . . ?
N2 C0AA H0AC 109.5 . . ?
C1 N2 C0AA 103.8(7) . . ?
C1 N2 H2A 111.0 . . ?
C1 N2 H2B 111.0 . . ?
C0AA N2 H2A 111.0 . . ?
C0AA N2 H2B 111.0 . . ?
H2A N2 H2B 109.0 . . ?
P007 Ag1 O00Q 118.27(18) . . ?
O00B Ag1 P007 151.14(16) . . ?
O00B Ag1 O00Q 54.05(12) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Ag01 P003 C00N C00T -172.3(2) 2_667 . . . ?
Ag01 P003 C00N C010 10.5(3) 2_667 . . . ?
Ag01 P003 C00R P004 60.89(17) 2_667 . . . ?
Ag01 P003 C00V C011 78.9(3) 2_667 . . . ?
Ag01 P003 C00V C01R -98.8(3) 2_667 . . . ?
Ag01 P004 C00M C00U 17.3(3) . . . . ?
Ag01 P004 C00M C015 -167.4(3) . . . . ?
Ag01 P004 C00R P003 -34.8(2) . . . . ?
Ag01 P004 C00W C01E -85.9(3) . . . . ?
Ag01 P004 C00W C01M 84.0(3) . . . . ?
Ag01 O00D C00H O00A 156.9(2) . . . . ?
Ag01 O00D C00H C00L -19.8(4) . . . . ?
Ag02 P007 C01C C016 163.0(3) . . . . ?
Ag02 P007 C01C C01B -15.8(3) . . . . ?
Ag02 P007 C01I C01P -173.7(3) . . . . ?
Ag02 P007 C01I C01X 2.0(4) . . . . ?
Ag02 P007 C020 C021 -54.3(4) . . . . ?
Ag02 O00B C00S C00O 178.2(3) . . . . ?
Ag02 O00B C00S O00Q -0.9(5) . . . . ?
Ag02 O00Q C00S O00B 0.8(4) . . . . ?
Ag02 O00Q C00S C00O -178.2(3) . . . . ?
P003 C00N C00T C019 -176.8(3) . . . . ?
P003 C00N C010 C01F 177.0(3) . . . . ?
P003 C00V C011 C01N -177.7(3) . . . . ?
P003 C00V C01R C024 178.4(4) . . . . ?
P004 C00M C00U C01J 174.1(3) . . . . ?
P004 C00M C015 C01S -175.0(3) . . . . ?
P004 C00W C01E C01T 171.8(3) . . . . ?
P004 C00W C01M C01Z -170.9(4) . . . . ?
Al05 Al05 O008 C00K 173.3(3) 2_666 . . . ?
Al05 Al05 O00A C00H 122.4(2) 2_666 . . . ?
Al05 O008 C00K C00P -94.9(3) 2_666 . . . ?
Al05 O008 C00K C00P 94.2(3) . . . . ?
Al05 O008 C00K C00X -81.1(3) . . . . ?
Al05 O008 C00K C00X 89.8(3) 2_666 . . . ?
Al05 O009 C00I C00O -26.9(4) 2_666 . . . ?
Al05 O009 C00I C012 154.7(2) 2_666 . . . ?
Al05 O00A C00H O00D 168.0(2) . . . . ?
Al05 O00A C00H C00L -15.2(4) . . . . ?
Al05 O00B C00S C00O 3.1(5) 2_666 . . . ?
Al05 O00B C00S O00Q -176.0(4) 2_666 . . . ?
Al05 O00C C00J C00L 21.2(4) . . . . ?
Al05 O00C C00J C00Z -162.1(2) . . . . ?
Al06 O009 C00I C00O 168.5(3) . . . . ?
Al06 O009 C00I C012 -9.9(3) . . . . ?
Al06 O00C C00J C00L -178.5(2) . . . . ?
Al06 O00C C00J C00Z -1.8(3) . . . . ?
Al06 O00E C00P C00K -8.9(5) . . . . ?
Al06 O00E C00P C014 169.9(3) . . . . ?
Al06 O00F C00Z C00J 7.0(4) . . . . ?
Al06 O00F C00Z C018 -176.6(3) . . . . ?
Al06 O00G C012 C00I 13.4(4) . . . . ?
Al06 O00G C012 C01G -165.3(3) . . . . ?
P007 C01I C01P C01V 176.5(3) . . . . ?
P007 C01I C01X C023 -175.9(4) . . . . ?
P007 C020 C021 C021 165.9(4) . . . 2_566 ?
O008 Al05 O008 Al05 0.001(1) 2_666 . . 2_666 ?
O008 Al05 O008 C00K 173.3(3) 2_666 . . . ?
O008 Al05 O00A C00H 126.1(2) 2_666 . . . ?
O008 C00K C00P O00E 4.2(4) . . . . ?
O008 C00K C00P C014 -174.7(3) . . . . ?
O008 C00K C00X C01A 175.3(3) . . . . ?
O009 Al05 O008 Al05 -85.90(10) 2_666 . . 2_666 ?
O009 Al05 O008 C00K 87.4(2) 2_666 . . . ?
O009 Al05 O00A C00H -147.6(2) 2_666 . . . ?
O009 Al06 O00E C00P 50.9(3) . . . . ?
O009 Al06 O00F C00Z -83.8(3) . . . . ?
O009 Al06 O00G C012 -14.9(3) . . . . ?
O009 C00I C00O C00S 4.6(5) . . . . ?
O009 C00I C00O C013 -176.4(3) . . . . ?
O009 C00I C012 O00G -1.6(4) . . . . ?
O009 C00I C012 C01G 177.1(3) . . . . ?
O00A C00H C00L C00J -13.4(4) . . . . ?
O00A C00H C00L C00Y 174.3(3) . . . . ?
O00B Al05 O008 Al05 -176.90(10) 2_666 . . 2_666 ?
O00B Al05 O008 C00K -3.6(2) 2_666 . . . ?
O00B Al05 O00A C00H -56.4(3) 2_666 . . . ?
O00C Al05 O008 Al05 92.39(10) . . . 2_666 ?
O00C Al05 O008 C00K -94.4(2) . . . . ?
O00C Al05 O00A C00H 34.7(3) . . . . ?
O00C Al06 O00E C00P -42.2(3) . . . . ?
O00C Al06 O00F C00Z -6.3(3) . . . . ?
O00C Al06 O00G C012 58.0(4) . . . . ?
O00C C00J C00L C00H 8.6(5) . . . . ?
O00C C00J C00L C00Y -178.9(3) . . . . ?
O00C C00J C00Z O00F -3.0(4) . . . . ?
O00C C00J C00Z C018 -179.6(3) . . . . ?
O00D C00H C00L C00J 163.4(3) . . . . ?
O00D C00H C00L C00Y -8.9(5) . . . . ?
O00E Al06 O00F C00Z 96.4(3) . . . . ?
O00E Al06 O00G C012 -123.7(3) . . . . ?
O00E C00P C014 C01D -179.4(3) . . . . ?
O00F Al06 O00E C00P -129.2(3) . . . . ?
O00F Al06 O00G C012 129.7(3) . . . . ?
O00F C00Z C018 C01K -177.4(4) . . . . ?
O00G Al06 O00E C00P 138.6(3) . . . . ?
O00G Al06 O00F C00Z -160.6(3) . . . . ?
O00G C012 C01G C017 178.4(4) . . . . ?
C00H C00L C00Y C01K 169.8(3) . . . . ?
C00I C00O C00S O00B 8.5(5) . . . . ?
C00I C00O C00S O00Q -172.5(4) . . . . ?
C00I C00O C013 C017 -0.9(5) . . . . ?
C00I C012 C01G C017 -0.2(6) . . . . ?
C00J C00L C00Y C01K -2.9(5) . . . . ?
C00J C00Z C018 C01K -1.1(6) . . . . ?
C00K C00P C014 C01D -0.6(5) . . . . ?
C00K C00X C01A C01D -1.0(6) . . . . ?
C00L C00J C00Z O00F 173.7(3) . . . . ?
C00L C00J C00Z C018 -2.8(5) . . . . ?
C00L C00Y C01K C018 -1.0(6) . . . . ?
C00M P004 C00R P003 93.08(19) . . . . ?
C00M P004 C00W C01E 150.2(3) . . . . ?
C00M P004 C00W C01M -40.0(3) . . . . ?
C00M C00U C01J C01U 0.3(6) . . . . ?
C00M C015 C01S C01U 1.6(6) . . . . ?
C00N P003 C00R P004 -63.4(2) . . . . ?
C00N P003 C00V C011 -150.6(3) . . . . ?
C00N P003 C00V C01R 31.7(3) . . . . ?
C00N C00T C019 C01L 0.1(6) . . . . ?
C00N C010 C01F C01L -0.6(6) . . . . ?
C00O C00I C012 O00G 179.9(3) . . . . ?
C00O C00I C012 C01G -1.4(5) . . . . ?
C00O C013 C017 C01G -0.7(6) . . . . ?
C00P C00K C00X C01A 0.1(5) . . . . ?
C00P C014 C01D C01A -0.4(6) . . . . ?
C00R P003 C00N C00T -54.8(3) . . . . ?
C00R P003 C00N C010 128.1(3) . . . . ?
C00R P003 C00V C011 -39.7(3) . . . . ?
C00R P003 C00V C01R 142.6(3) . . . . ?
C00R P004 C00M C00U -111.5(3) . . . . ?
C00R P004 C00M C015 63.8(3) . . . . ?
C00R P004 C00W C01E 39.9(3) . . . . ?
C00R P004 C00W C01M -150.3(3) . . . . ?
C00S C00O C013 C017 178.2(3) . . . . ?
C00T C00N C010 C01F -0.1(5) . . . . ?
C00T C019 C01L C01F -0.8(6) . . . . ?
C00U C00M C015 C01S 0.3(6) . . . . ?
C00U C01J C01U C01S 1.6(6) . . . . ?
C00V P003 C00N C00T 55.1(3) . . . . ?
C00V P003 C00N C010 -122.1(3) . . . . ?
C00V P003 C00R P004 -171.57(17) . . . . ?
C00V C011 C01N C022 -0.5(6) . . . . ?
C00V C01R C024 C022 -0.8(8) . . . . ?
C00W P004 C00M C00U 136.6(3) . . . . ?
C00W P004 C00M C015 -48.1(3) . . . . ?
C00W P004 C00R P003 -154.91(17) . . . . ?
C00W C01E C01T C01W -2.4(6) . . . . ?
C00W C01M C01Z C01W -0.3(8) . . . . ?
C00X C00K C00P O00E 179.6(3) . . . . ?
C00X C00K C00P C014 0.7(5) . . . . ?
C00X C01A C01D C014 1.1(6) . . . . ?
C00Z C00J C00L C00H -167.8(3) . . . . ?
C00Z C00J C00L C00Y 4.8(5) . . . . ?
C00Z C018 C01K C00Y 3.0(7) . . . . ?
C010 C00N C00T C019 0.4(5) . . . . ?
C010 C01F C01L C019 1.1(6) . . . . ?
C011 C00V C01R C024 0.7(6) . . . . ?
C011 C01N C022 C024 0.3(7) . . . . ?
C012 C00I C00O C00S -177.2(3) . . . . ?
C012 C00I C00O C013 1.9(5) . . . . ?
C013 C00O C00S O00B -170.5(3) . . . . ?
C013 C00O C00S O00Q 8.5(6) . . . . ?
C013 C017 C01G C012 1.2(6) . . . . ?
C015 C00M C00U C01J -1.2(5) . . . . ?
C015 C01S C01U C01J -2.5(7) . . . . ?
C016 C01H C01O C01Q -0.3(6) . . . . ?
C01C P007 C01I C01P 62.7(3) . . . . ?
C01C P007 C01I C01X -121.5(3) . . . . ?
C01C P007 C020 C021 69.6(4) . . . . ?
C01C C016 C01H C01O 1.5(6) . . . . ?
C01C C01B C01Q C01O -0.1(6) . . . . ?
C01E C00W C01M C01Z -0.9(6) . . . . ?
C01E C01T C01W C01Z 1.3(7) . . . . ?
C01H C016 C01C P007 179.2(3) . . . . ?
C01H C016 C01C C01B -2.0(5) . . . . ?
C01H C01O C01Q C01B -0.4(6) . . . . ?
C01I P007 C01C C016 -71.7(3) . . . . ?
C01I P007 C01C C01B 109.5(3) . . . . ?
C01I P007 C020 C021 -177.5(3) . . . . ?
C01I C01P C01V C01Y -1.2(6) . . . . ?
C01I C01X C023 C01Y -0.3(8) . . . . ?
C01M C00W C01E C01T 2.2(6) . . . . ?
C01N C022 C024 C01R 0.3(8) . . . . ?
C01P C01I C01X C023 0.1(6) . . . . ?
C01P C01V C01Y C023 1.0(7) . . . . ?
C01Q C01B C01C P007 -179.9(3) . . . . ?
C01Q C01B C01C C016 1.3(6) . . . . ?
C01R C00V C011 C01N 0.0(6) . . . . ?
C01T C01W C01Z C01M 0.1(8) . . . . ?
C01V C01Y C023 C01X -0.2(8) . . . . ?
C01X C01I C01P C01V 0.7(6) . . . . ?
C020 P007 C01C C016 36.1(4) . . . . ?
C020 P007 C01C C01B -142.8(3) . . . . ?
C020 P007 C01I C01P -49.1(4) . . . . ?
C020 P007 C01I C01X 126.7(3) . . . . ?
Ag1 P007 C01C C016 156.0(3) . . . . ?
Ag1 P007 C01C C01B -22.8(3) . . . . ?
Ag1 P007 C01I C01P 177.8(3) . . . . ?
Ag1 P007 C01I C01X -6.5(4) . . . . ?
Ag1 P007 C020 C021 -38.3(4) . . . . ?
Ag1 O00B C00S C00O -166.2(3) . . . . ?
Ag1 O00B C00S O00Q 14.8(5) . . . . ?
Ag1 O00Q C00S O00B -13.5(4) . . . . ?
Ag1 O00Q C00S C00O 167.5(4) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.213 0.681 0.095 55.2 1.7 ?
2 0.388 0.083 0.407 13.9 0.0 ?
3 0.612 0.917 0.593 13.9 0.0 ?
4 0.787 0.319 0.905 55.2 2.6 ?

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.537
_oxdiff_exptl_absorpt_empirical_full_min 0.660
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_AlOC-172
_database_code_depnum_ccdc_archive 'CCDC 2303396'
loop_
_audit_author_name
_audit_author_address
'Fan Yang'
;UCAS
China
;
_audit_update_record             
;
2023-12-08 deposited with the CCDC.	2024-07-17 downloaded from the CCDC.
;
_audit_creation_date             2023-11-03
_audit_creation_method           
;
Olex2 1.5-beta
(compiled 2023.08.24 svn.re1ec1418 for OlexSys, GUI svn.r6817)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'2(C32 H34 Cu N4 O), C40 H20 Al4 O20, 2(C H3 N O)'
_chemical_formula_sum            'C106 H94 Al4 Cu2 N10 O24'
_chemical_formula_weight         2126.91
_chemical_melting_point          ?
_chemical_oxdiff_formula         'Al Cu C H O N '
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0147 0.0070 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Al Al 0.1763 0.1843 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu -2.8874 3.6899 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0253 0.0135 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0412 0.0250 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   12.5246(3)
_cell_length_b                   13.3926(4)
_cell_length_c                   15.6926(5)
_cell_angle_alpha                114.226(3)
_cell_angle_beta                 91.865(2)
_cell_angle_gamma                100.748(2)
_cell_volume                     2340.77(13)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    13830
_cell_measurement_temperature    100.00(10)
_cell_measurement_theta_max      60.2820
_cell_measurement_theta_min      2.6890
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    3.143
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  1.00000
_exptl_absorpt_correction_type   sphere
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.115a (Rigaku Oxford Diffraction, 2021)
Spherical absorption correction
using equivalent radius and absorption coefficient.
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            coloeless
_exptl_crystal_density_diffrn    1.509
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       sphere
_exptl_crystal_F_000             1102
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_crystal_size_rad          0.400
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0624
_diffrn_reflns_av_unetI/netI     0.0612
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            26113
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        53.543
_diffrn_reflns_theta_max         53.851
_diffrn_reflns_theta_min         2.705
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.00(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω      3.00  70.00   0.50    0.27    --   76.66 -38.00 -90.00  134
  2  ω     79.00 106.00   0.50    0.27    --   76.66 -77.00 -30.00   54
  3  ω     37.00  63.00   0.50    0.27    --   76.66 -77.00 -30.00   52
  4  ω     26.00  54.00   0.50    0.27    --   76.66 -95.00-127.00   56
  5  ω     53.00 109.00   0.50    0.27    --   76.66-125.00 120.00  112
  6  ω     52.00 105.00   0.50    0.27    --   76.66 -99.00 120.00  106
  7  ω      3.00  33.00   0.50    0.27    --   76.66 -99.00 120.00   60
  8  ω     58.00 123.00   0.50    0.27    --   76.66  77.00  60.00  130
  9  ω     85.00 122.00   0.50    0.27    --   76.66  95.00 -17.00   74
 10  ω     82.00 146.00   0.50    0.27    --   76.66 125.00 -60.00  128
 11  ω    -18.00  73.00   0.50    0.07    --   -0.62  57.00  60.00  182
 12  ω    -70.00  -3.00   0.50    0.27    --  -77.91  38.00 -30.00  134
 13  ω   -106.00  -6.00   0.50    0.27    --  -77.91  77.00  30.00  200
 14  ω   -105.00 -30.00   0.50    0.27    --  -77.91  95.00 -17.00  150
 15  ω   -101.00 -38.00   0.50    0.27    --  -77.91 125.00-180.00  126
 16  ω    -35.00  26.00   0.50    0.07    --   -0.62  95.00 -17.00  122
 17  ω    -93.00 -66.00   0.50    0.27    --  -77.91 125.00 150.00   54
 18  ω   -130.00 -56.00   0.50    0.27    --  -77.91 -38.00  60.00  148
 19  ω     -4.00  34.00   0.50    0.07    --   -0.62 -99.00  90.00   76
 20  ω     -8.00  17.00   0.50    0.07    --   -0.62 -99.00 120.00   50
 21  ω      7.00  33.00   0.50    0.07    --   -0.62 -99.00 -90.00   52
 22  ω    -10.00  37.00   0.50    0.07    --   -0.62 -95.00-127.00   94
 23  ω   -142.00 -85.00   0.50    0.27    --  -77.91 -95.00-127.00  114
 24  ω   -140.00-115.00   0.50    0.27    --  -77.91 -99.00-180.00   50
 25  ω   -114.00 -88.00   0.50    0.27    --  -77.91 -99.00-180.00   52
 26  ω   -146.00-109.00   0.50    0.27    --  -77.91 -99.00 -30.00   74
 27  ω   -145.00 -79.00   0.50    0.27    --  -77.91-125.00  30.00  132
 28  ω   -145.00 -95.00   0.50    0.27    --  -77.91 -99.00  90.00  100
 29  ω   -149.00 -88.00   0.50    0.27    --  -77.91-125.00 120.00  122
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'ROD, Synergy Custom system, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0414957000
_diffrn_orient_matrix_UB_12      -0.1095005000
_diffrn_orient_matrix_UB_13      -0.0267181000
_diffrn_orient_matrix_UB_21      0.0397633000
_diffrn_orient_matrix_UB_22      0.0091185000
_diffrn_orient_matrix_UB_23      0.0837564000
_diffrn_orient_matrix_UB_31      -0.0933817000
_diffrn_orient_matrix_UB_32      0.0236067000
_diffrn_orient_matrix_UB_33      0.0340605000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Ga K\a'
_diffrn_radiation_wavelength     1.3405
_diffrn_source                   'micro-focus metaljet'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                7282
_reflns_number_total             8510
_reflns_odcompleteness_completeness 99.59
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     53.78
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.41.115a (Rigaku OD, 2021)'
_computing_data_collection       'CrysAlisPro 1.171.41.115a (Rigaku OD, 2021)'
_computing_data_reduction        'CrysAlisPro 1.171.41.115a (Rigaku OD, 2021)'
_computing_molecular_graphics    'Olex2 1.5-beta (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5-beta (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT  (Sheldrick, 2015)'
_refine_diff_density_max         0.918
_refine_diff_density_min         -0.721
_refine_diff_density_rms         0.080
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.020
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     669
_refine_ls_number_reflns         8510
_refine_ls_number_restraints     31
_refine_ls_R_factor_all          0.0596
_refine_ls_R_factor_gt           0.0513
_refine_ls_restrained_S_all      1.018
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0970P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1353
_refine_ls_wR_factor_ref         0.1402
_refine_special_details          ?
_olex2_refinement_description    
;
1. Restrained distances
 Cu01-H1A \\sim Cu01-H1B
 with sigma of 0.02
2. Rigid bond restraints
 O00J, C020, N01O
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.02
3. Uiso/Uaniso restraints and constraints
Uanis(O00J) \\sim Ueq, Uanis(C020) \\sim Ueq, Uanis(N01O) \\sim Ueq: with sigma
of 0.01 and sigma for terminal atoms of 0.02
4. Rigid body (RIGU) restrains
 O00J, C020, N01O
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.02
5.a Free rotating group:
 O1(H1A,H1B)
5.b Aromatic/amide H refined with riding coordinates:
 C00R(H00R), C00V(H00V), C00W(H00W), C00Y(H00Y), C00Z(H00Z), C012(H012),
 C016(H016), C017(H017), C019(H019), C01B(H01Z), C01C(H01), C01G(H01G),
 C01H(H01H), C01J(H01J), C01P(H1), C01Q(H2), C01V(H3), C01X(H01X), C020(H020)
5.c X=CH2 refined with riding coordinates:
 N01O(H4,H)
5.d Idealised Me refined as rotating group:
 C01R(H01A,H01B,H01C), C01S(H01D,H01E,H01F), C01T(H01I,H01K,H01L), C01U(H01M,
 H01N,H01O), C01W(H01P,H01Q,H01R), C01Y(H01S,H01T,H01U), C01Z(H01V,H01W,H01Y),
 C021(H02A,H02B,H02C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Cu01 Cu 0.27391(3) 0.24758(3) 0.24595(3) 0.01862(13) Uani 1 1 d D . . . .
Al02 Al 0.52303(6) 0.88710(6) 0.45483(5) 0.01673(18) Uani 1 1 d . . . . .
Al03 Al 0.59138(6) 1.05705(6) 0.34158(5) 0.01756(18) Uani 1 1 d . . . . .
O004 O 0.45702(14) 0.75992(14) 0.35107(12) 0.0196(4) Uani 1 1 d . . . . .
O005 O 0.42507(14) 0.84618(14) 0.53360(12) 0.0184(4) Uani 1 1 d . . . . .
O006 O 0.43131(13) 0.97529(14) 0.43781(11) 0.0162(4) Uani 1 1 d . . . . .
O007 O 0.61709(13) 0.94502(14) 0.38525(12) 0.0184(4) Uani 1 1 d . . . . .
O008 O 0.46386(14) 0.99132(16) 0.27088(12) 0.0235(4) Uani 1 1 d . . . . .
O009 O 0.62784(14) 0.82374(15) 0.48496(12) 0.0205(4) Uani 1 1 d . . . . .
O00A O 0.70584(14) 1.02094(15) 0.27704(13) 0.0234(4) Uani 1 1 d . . . . .
O00B O 0.74045(15) 0.70718(16) 0.44943(14) 0.0288(5) Uani 1 1 d . . . . .
O00C O 0.39519(18) 0.57800(16) 0.26671(14) 0.0332(5) Uani 1 1 d . . . . .
O00D O 0.38495(15) 0.81369(15) 0.67763(12) 0.0235(4) Uani 1 1 d . . . . .
N00E N 0.40162(17) 0.27058(18) 0.17674(15) 0.0198(5) Uani 1 1 d . . . . .
N00F N 0.14503(17) 0.23692(18) 0.31543(15) 0.0204(5) Uani 1 1 d . . . . .
N00G N 0.19331(17) 0.35031(18) 0.21434(15) 0.0204(5) Uani 1 1 d . . . . .
N00H N 0.22891(17) 0.09717(18) 0.11578(15) 0.0207(5) Uani 1 1 d . . . . .
O00J O 0.38381(19) 0.3778(2) -0.01363(17) 0.0474(6) Uani 1 1 d . U . . .
C00K C 0.39633(19) 0.7358(2) 0.51718(18) 0.0179(5) Uani 1 1 d . . . . .
C00L C 0.08397(19) 0.3133(2) 0.32292(18) 0.0193(5) Uani 1 1 d . . . . .
C00M C 0.3080(2) 0.0926(2) 0.05753(18) 0.0209(6) Uani 1 1 d . . . . .
C00N C 0.3633(2) 0.9495(2) 0.28528(18) 0.0193(5) Uani 1 1 d . . . . .
C00O C 0.3733(2) 0.7197(2) 0.59871(18) 0.0198(5) Uani 1 1 d . . . . .
C00P C 0.7437(2) 0.9353(2) 0.28021(18) 0.0215(6) Uani 1 1 d . . . . .
C00Q C 0.3440(2) 0.9425(2) 0.36980(18) 0.0190(5) Uani 1 1 d . . . . .
C00R C 0.3553(2) 0.5371(2) 0.4255(2) 0.0234(6) Uani 1 1 d . . . . .
H00R H 0.348104 0.474046 0.366528 0.028 Uiso 1 1 calc R U . . .
C00S C 0.3883(2) 0.6459(2) 0.43043(18) 0.0202(6) Uani 1 1 d . . . . .
C00T C 0.10866(19) 0.3742(2) 0.26727(18) 0.0180(5) Uani 1 1 d . . . . .
C00U C -0.0023(2) 0.3298(2) 0.37882(18) 0.0209(6) Uani 1 1 d . . . . .
C00V C 0.2395(2) 0.9049(2) 0.38580(19) 0.0227(6) Uani 1 1 d . . . . .
H00V H 0.227652 0.901532 0.444145 0.027 Uiso 1 1 calc R U . . .
C00W C 0.4853(2) 0.3582(2) 0.2079(2) 0.0230(6) Uani 1 1 d . . . . .
H00W H 0.484845 0.417846 0.267521 0.028 Uiso 1 1 calc R U . . .
C00X C 0.6980(2) 0.8935(2) 0.34288(18) 0.0188(5) Uani 1 1 d . . . . .
C00Y C 0.2145(2) 0.3998(2) 0.15753(19) 0.0231(6) Uani 1 1 d . . . . .
H00Y H 0.273425 0.383915 0.121112 0.028 Uiso 1 1 calc R U . . .
C00Z C 0.3430(2) 0.6120(2) 0.59215(19) 0.0217(6) Uani 1 1 d . . . . .
H00Z H 0.328674 0.600292 0.646831 0.026 Uiso 1 1 calc R U . . .
C010 C 0.7347(2) 0.8102(2) 0.35825(18) 0.0202(6) Uani 1 1 d . . . . .
C011 C 0.4013(2) 0.1857(2) 0.09046(18) 0.0214(6) Uani 1 1 d . . . . .
C012 C -0.0378(2) 0.4691(2) 0.32537(19) 0.0239(6) Uani 1 1 d . . . . .
H012 H -0.078817 0.522873 0.327632 0.029 Uiso 1 1 calc R U . . .
C013 C 0.0468(2) 0.4496(2) 0.26442(19) 0.0223(6) Uani 1 1 d . . . . .
C014 C 0.3021(2) 0.0028(2) -0.03153(19) 0.0233(6) Uani 1 1 d . . . . .
C015 C 0.4143(2) 0.6601(2) 0.34298(19) 0.0220(6) Uani 1 1 d . . . . .
C016 C 0.3333(2) 0.5203(2) 0.5049(2) 0.0241(6) Uani 1 1 d . . . . .
H016 H 0.311548 0.446137 0.500181 0.029 Uiso 1 1 calc R U . . .
C017 C -0.0605(2) 0.4129(2) 0.37953(19) 0.0242(6) Uani 1 1 d . . . . .
H017 H -0.116644 0.428898 0.419200 0.029 Uiso 1 1 calc R U . . .
C018 C -0.0279(2) 0.2614(2) 0.42757(18) 0.0223(6) Uani 1 1 d . . . . .
C019 C 0.8146(2) 0.7623(2) 0.3033(2) 0.0242(6) Uani 1 1 d . . . . .
H019 H 0.840034 0.703685 0.311064 0.029 Uiso 1 1 calc R U . . .
C01A C 0.1265(2) -0.0798(2) -0.0026(2) 0.0252(6) Uani 1 1 d . . . . .
C01B C 0.1513(2) 0.8720(2) 0.3165(2) 0.0275(6) Uani 1 1 d . . . . .
H01Z H 0.079340 0.845851 0.327113 0.033 Uiso 1 1 calc R U . . .
C01C C 0.2745(2) 0.9168(2) 0.21656(18) 0.0226(6) Uani 1 1 d . . . . .
H01 H 0.285745 0.921363 0.158583 0.027 Uiso 1 1 calc R U . . .
C01D C 0.6997(2) 0.7752(2) 0.43437(19) 0.0211(6) Uani 1 1 d . . . . .
C01E C 0.1551(2) 0.4747(2) 0.1475(2) 0.0269(6) Uani 1 1 d . . . . .
C01F C 0.0322(2) 0.1802(2) 0.41596(19) 0.0245(6) Uani 1 1 d . . . . .
C01G C 0.1420(2) 0.0127(2) 0.08501(19) 0.0231(6) Uani 1 1 d . . . . .
H01G H 0.086443 0.015180 0.125152 0.028 Uiso 1 1 calc R U . . .
C01H C 0.1189(2) 0.1727(2) 0.36067(19) 0.0232(6) Uani 1 1 d . . . . .
H01H H 0.161097 0.118849 0.355383 0.028 Uiso 1 1 calc R U . . .
C01I C 0.5755(2) 0.2827(2) 0.07069(19) 0.0235(6) Uani 1 1 d . . . . .
C01J C 0.3911(2) 0.0059(2) -0.08587(19) 0.0256(6) Uani 1 1 d . . . . .
H01J H 0.389052 -0.055087 -0.145251 0.031 Uiso 1 1 calc R U . . .
C01K C 0.0705(2) 0.5007(2) 0.2022(2) 0.0263(6) Uani 1 1 d . . . . .
C01L C 0.2072(2) -0.0858(2) -0.06272(19) 0.0242(6) Uani 1 1 d . . . . .
C01M C 0.4867(2) 0.1876(2) 0.03534(19) 0.0226(6) Uani 1 1 d . . . . .
C01N C 0.5743(2) 0.3684(2) 0.15818(19) 0.0232(6) Uani 1 1 d . . . . .
N01O N 0.5000(2) 0.3912(3) -0.1163(2) 0.0490(8) Uani 1 1 d . U . . .
H4 H 0.535758 0.459055 -0.077268 0.059 Uiso 1 1 calc R U . . .
H H 0.519898 0.358446 -0.172722 0.059 Uiso 1 1 calc R U . . .
C01P C 0.8227(2) 0.8877(2) 0.2275(2) 0.0268(6) Uani 1 1 d . . . . .
H1 H 0.853621 0.914742 0.184475 0.032 Uiso 1 1 calc R U . . .
C01Q C 0.8560(2) 0.7994(2) 0.2386(2) 0.0269(6) Uani 1 1 d . . . . .
H2 H 0.908017 0.764447 0.201059 0.032 Uiso 1 1 calc R U . . .
C01R C -0.1189(2) 0.2726(3) 0.4882(2) 0.0283(6) Uani 1 1 d . . . . .
H01A H -0.182008 0.210419 0.455153 0.043 Uiso 1 1 calc R U . . .
H01B H -0.140098 0.343978 0.501806 0.043 Uiso 1 1 calc R U . . .
H01C H -0.094193 0.270764 0.547341 0.043 Uiso 1 1 calc R U . . .
C01S C 0.6680(2) 0.2895(3) 0.0130(2) 0.0303(7) Uani 1 1 d . . . . .
H01D H 0.703658 0.226728 0.001445 0.045 Uiso 1 1 calc R U . . .
H01E H 0.721436 0.360529 0.047171 0.045 Uiso 1 1 calc R U . . .
H01F H 0.639112 0.285827 -0.047321 0.045 Uiso 1 1 calc R U . . .
C01T C 0.6645(2) 0.4727(2) 0.2023(2) 0.0289(6) Uani 1 1 d . . . . .
H01I H 0.645302 0.523843 0.262282 0.043 Uiso 1 1 calc R U . . .
H01K H 0.673726 0.509853 0.159841 0.043 Uiso 1 1 calc R U . . .
H01L H 0.732975 0.452106 0.213371 0.043 Uiso 1 1 calc R U . . .
C01U C 0.0090(2) 0.1007(3) 0.4612(2) 0.0299(7) Uani 1 1 d . . . . .
H01M H 0.018473 0.143202 0.529802 0.045 Uiso 1 1 calc R U . . .
H01N H 0.059750 0.049949 0.443440 0.045 Uiso 1 1 calc R U . . .
H01O H -0.066431 0.056762 0.440010 0.045 Uiso 1 1 calc R U . . .
C01V C 0.1698(2) 0.8777(2) 0.2322(2) 0.0266(6) Uani 1 1 d . . . . .
H3 H 0.110242 0.854619 0.184370 0.032 Uiso 1 1 calc R U . . .
C01W C 0.0245(2) -0.1713(3) -0.0263(2) 0.0322(7) Uani 1 1 d . . . . .
H01P H 0.045171 -0.241884 -0.035779 0.048 Uiso 1 1 calc R U . . .
H01Q H -0.017376 -0.180888 -0.084002 0.048 Uiso 1 1 calc R U . . .
H01R H -0.020580 -0.150592 0.025575 0.048 Uiso 1 1 calc R U . . .
C01X C 0.4783(2) 0.0942(2) -0.05434(19) 0.0253(6) Uani 1 1 d . . . . .
H01X H 0.535340 0.094079 -0.092765 0.030 Uiso 1 1 calc R U . . .
C01Y C 0.1962(2) -0.1814(2) -0.1593(2) 0.0309(7) Uani 1 1 d . . . . .
H01S H 0.192638 -0.152726 -0.207380 0.046 Uiso 1 1 calc R U . . .
H01T H 0.129107 -0.237647 -0.168539 0.046 Uiso 1 1 calc R U . . .
H01U H 0.259603 -0.215841 -0.164631 0.046 Uiso 1 1 calc R U . . .
C01Z C 0.0040(2) 0.5803(3) 0.1952(2) 0.0348(7) Uani 1 1 d . . . . .
H01V H -0.072781 0.540855 0.174047 0.052 Uiso 1 1 calc R U . . .
H01W H 0.031964 0.608755 0.149929 0.052 Uiso 1 1 calc R U . . .
H01Y H 0.009561 0.643276 0.257083 0.052 Uiso 1 1 calc R U . . .
C020 C 0.4178(3) 0.3394(3) -0.0906(3) 0.0447(8) Uani 1 1 d . U . . .
H020 H 0.381298 0.266284 -0.134688 0.054 Uiso 1 1 calc R U . . .
C021 C 0.1888(3) 0.5263(3) 0.0814(3) 0.0412(8) Uani 1 1 d . . . . .
H02A H 0.214912 0.607575 0.117114 0.062 Uiso 1 1 calc R U . . .
H02B H 0.125881 0.511085 0.035673 0.062 Uiso 1 1 calc R U . . .
H02C H 0.247588 0.494041 0.048153 0.062 Uiso 1 1 calc R U . . .
O1 O 0.37476(19) 0.2287(2) 0.33862(16) 0.0441(6) Uani 1 1 d G . . . .
H1A H 0.347529 0.223591 0.387371 0.066 Uiso 1 1 d DG U . . .
H1B H 0.435988 0.278456 0.361909 0.066 Uiso 1 1 d DG U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Cu01 N00E 2.009(2) . ?
Cu01 N00F 1.993(2) . ?
Cu01 N00G 2.050(2) . ?
Cu01 N00H 2.162(2) . ?
Cu01 O1 2.018(2) . ?
Al02 O004 1.8294(18) . ?
Al02 O005 1.9332(18) . ?
Al02 O006 1.8863(18) 2_676 ?
Al02 O006 1.8792(18) . ?
Al02 O007 1.9025(18) . ?
Al02 O009 1.8360(19) . ?
Al03 O005 1.8979(18) 2_676 ?
Al03 O007 1.9581(19) . ?
Al03 O008 1.765(2) . ?
Al03 O00A 1.8072(18) . ?
Al03 O00D 1.849(2) 2_676 ?
O004 C015 1.296(3) . ?
O005 C00K 1.366(3) . ?
O006 C00Q 1.374(3) . ?
O007 C00X 1.368(3) . ?
O008 C00N 1.346(3) . ?
O009 C01D 1.305(3) . ?
O00A C00P 1.338(3) . ?
O00B C01D 1.220(3) . ?
O00C C015 1.225(3) . ?
O00D C00O 1.334(3) . ?
N00E C00W 1.324(3) . ?
N00E C011 1.364(3) . ?
N00F C00L 1.358(3) . ?
N00F C01H 1.327(3) . ?
N00G C00T 1.372(3) . ?
N00G C00Y 1.319(3) . ?
N00H C00M 1.363(3) . ?
N00H C01G 1.325(3) . ?
O00J C020 1.229(4) . ?
C00K C00O 1.412(4) . ?
C00K C00S 1.383(4) . ?
C00L C00T 1.426(4) . ?
C00L C00U 1.406(3) . ?
C00M C011 1.441(4) . ?
C00M C014 1.409(4) . ?
C00N C00Q 1.393(4) . ?
C00N C01C 1.395(4) . ?
C00O C00Z 1.381(4) . ?
C00P C00X 1.406(4) . ?
C00P C01P 1.388(4) . ?
C00Q C00V 1.381(4) . ?
C00R H00R 0.9500 . ?
C00R C00S 1.407(4) . ?
C00R C016 1.382(4) . ?
C00S C015 1.499(4) . ?
C00T C013 1.395(4) . ?
C00U C017 1.436(4) . ?
C00U C018 1.418(4) . ?
C00V H00V 0.9500 . ?
C00V C01B 1.394(4) . ?
C00W H00W 0.9500 . ?
C00W C01N 1.399(4) . ?
C00X C010 1.386(4) . ?
C00Y H00Y 0.9500 . ?
C00Y C01E 1.409(4) . ?
C00Z H00Z 0.9500 . ?
C00Z C016 1.397(4) . ?
C010 C019 1.413(3) . ?
C010 C01D 1.502(4) . ?
C011 C01M 1.400(4) . ?
C012 H012 0.9500 . ?
C012 C013 1.439(4) . ?
C012 C017 1.353(4) . ?
C013 C01K 1.416(4) . ?
C014 C01J 1.430(4) . ?
C014 C01L 1.421(4) . ?
C016 H016 0.9500 . ?
C017 H017 0.9500 . ?
C018 C01F 1.390(4) . ?
C018 C01R 1.498(3) . ?
C019 H019 0.9500 . ?
C019 C01Q 1.378(4) . ?
C01A C01G 1.399(4) . ?
C01A C01L 1.396(4) . ?
C01A C01W 1.512(4) . ?
C01B H01Z 0.9500 . ?
C01B C01V 1.381(4) . ?
C01C H01 0.9500 . ?
C01C C01V 1.386(4) . ?
C01E C01K 1.389(4) . ?
C01E C021 1.497(4) . ?
C01F C01H 1.405(4) . ?
C01F C01U 1.498(4) . ?
C01G H01G 0.9500 . ?
C01H H01H 0.9500 . ?
C01I C01M 1.420(4) . ?
C01I C01N 1.385(4) . ?
C01I C01S 1.507(4) . ?
C01J H01J 0.9500 . ?
C01J C01X 1.356(4) . ?
C01K C01Z 1.504(4) . ?
C01L C01Y 1.511(4) . ?
C01M C01X 1.433(4) . ?
C01N C01T 1.507(4) . ?
N01O H4 0.8800 . ?
N01O H 0.8800 . ?
N01O C020 1.303(4) . ?
C01P H1 0.9500 . ?
C01P C01Q 1.397(4) . ?
C01Q H2 0.9500 . ?
C01R H01A 0.9800 . ?
C01R H01B 0.9800 . ?
C01R H01C 0.9800 . ?
C01S H01D 0.9800 . ?
C01S H01E 0.9800 . ?
C01S H01F 0.9800 . ?
C01T H01I 0.9800 . ?
C01T H01K 0.9800 . ?
C01T H01L 0.9800 . ?
C01U H01M 0.9800 . ?
C01U H01N 0.9800 . ?
C01U H01O 0.9800 . ?
C01V H3 0.9500 . ?
C01W H01P 0.9800 . ?
C01W H01Q 0.9800 . ?
C01W H01R 0.9800 . ?
C01X H01X 0.9500 . ?
C01Y H01S 0.9800 . ?
C01Y H01T 0.9800 . ?
C01Y H01U 0.9800 . ?
C01Z H01V 0.9800 . ?
C01Z H01W 0.9800 . ?
C01Z H01Y 0.9800 . ?
C020 H020 0.9500 . ?
C021 H02A 0.9800 . ?
C021 H02B 0.9800 . ?
C021 H02C 0.9800 . ?
O1 H1A 0.8706 . ?
O1 H1B 0.8697 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N00E Cu01 N00G 94.72(9) . . ?
N00E Cu01 N00H 79.70(8) . . ?
N00E Cu01 O1 89.45(9) . . ?
N00F Cu01 N00E 175.24(9) . . ?
N00F Cu01 N00G 80.92(9) . . ?
N00F Cu01 N00H 102.84(8) . . ?
N00F Cu01 O1 93.28(9) . . ?
N00G Cu01 N00H 99.83(9) . . ?
O1 Cu01 N00G 148.25(10) . . ?
O1 Cu01 N00H 111.87(9) . . ?
O004 Al02 O005 91.18(8) . . ?
O004 Al02 O006 170.62(8) . 2_676 ?
O004 Al02 O006 94.59(8) . . ?
O004 Al02 O007 93.88(8) . . ?
O004 Al02 O009 94.75(8) . . ?
O006 Al02 O005 90.61(8) . . ?
O006 Al02 O005 84.66(7) 2_676 . ?
O006 Al02 O006 77.09(8) . 2_676 ?
O006 Al02 O007 89.66(8) 2_676 . ?
O006 Al02 O007 84.46(8) . . ?
O007 Al02 O005 173.20(8) . . ?
O009 Al02 O005 91.91(8) . . ?
O009 Al02 O006 93.79(8) . 2_676 ?
O009 Al02 O006 170.27(9) . . ?
O009 Al02 O007 92.19(8) . . ?
O005 Al03 O007 89.67(8) 2_676 . ?
O008 Al03 O005 111.74(8) . 2_676 ?
O008 Al03 O007 102.30(9) . . ?
O008 Al03 O00A 112.80(9) . . ?
O008 Al03 O00D 97.47(9) . 2_676 ?
O00A Al03 O005 135.40(9) . 2_676 ?
O00A Al03 O007 83.28(8) . . ?
O00A Al03 O00D 87.59(8) . 2_676 ?
O00D Al03 O005 84.52(8) 2_676 2_676 ?
O00D Al03 O007 160.16(9) 2_676 . ?
C015 O004 Al02 130.40(17) . . ?
Al03 O005 Al02 125.09(9) 2_676 . ?
C00K O005 Al02 118.37(14) . . ?
C00K O005 Al03 111.98(15) . 2_676 ?
Al02 O006 Al02 102.91(8) . 2_676 ?
C00Q O006 Al02 127.98(15) . . ?
C00Q O006 Al02 128.68(15) . 2_676 ?
Al02 O007 Al03 125.34(9) . . ?
C00X O007 Al02 121.34(16) . . ?
C00X O007 Al03 111.88(15) . . ?
C00N O008 Al03 134.79(17) . . ?
C01D O009 Al02 129.64(17) . . ?
C00P O00A Al03 116.52(16) . . ?
C00O O00D Al03 113.85(16) . 2_676 ?
C00W N00E Cu01 126.19(18) . . ?
C00W N00E C011 118.1(2) . . ?
C011 N00E Cu01 115.70(17) . . ?
C00L N00F Cu01 113.69(17) . . ?
C01H N00F Cu01 128.11(18) . . ?
C01H N00F C00L 117.9(2) . . ?
C00T N00G Cu01 111.65(17) . . ?
C00Y N00G Cu01 130.49(17) . . ?
C00Y N00G C00T 117.7(2) . . ?
C00M N00H Cu01 110.69(16) . . ?
C01G N00H Cu01 132.15(18) . . ?
C01G N00H C00M 117.2(2) . . ?
O005 C00K C00O 113.4(2) . . ?
O005 C00K C00S 125.2(2) . . ?
C00S C00K C00O 121.5(2) . . ?
N00F C00L C00T 116.3(2) . . ?
N00F C00L C00U 123.0(2) . . ?
C00U C00L C00T 120.6(2) . . ?
N00H C00M C011 117.0(2) . . ?
N00H C00M C014 123.4(2) . . ?
C014 C00M C011 119.7(2) . . ?
O008 C00N C00Q 121.5(2) . . ?
O008 C00N C01C 120.1(2) . . ?
C01C C00N C00Q 118.3(2) . . ?
O00D C00O C00K 115.1(2) . . ?
O00D C00O C00Z 125.4(2) . . ?
C00Z C00O C00K 119.4(2) . . ?
O00A C00P C00X 115.4(2) . . ?
O00A C00P C01P 124.9(2) . . ?
C01P C00P C00X 119.7(3) . . ?
O006 C00Q C00N 118.4(2) . . ?
O006 C00Q C00V 120.5(2) . . ?
C00V C00Q C00N 121.1(2) . . ?
C00S C00R H00R 119.4 . . ?
C016 C00R H00R 119.4 . . ?
C016 C00R C00S 121.2(2) . . ?
C00K C00S C00R 117.9(2) . . ?
C00K C00S C015 122.7(2) . . ?
C00R C00S C015 119.4(2) . . ?
N00G C00T C00L 115.8(2) . . ?
N00G C00T C013 122.7(2) . . ?
C013 C00T C00L 121.5(2) . . ?
C00L C00U C017 117.1(2) . . ?
C00L C00U C018 118.1(2) . . ?
C018 C00U C017 124.8(2) . . ?
C00Q C00V H00V 119.9 . . ?
C00Q C00V C01B 120.1(3) . . ?
C01B C00V H00V 119.9 . . ?
N00E C00W H00W 118.0 . . ?
N00E C00W C01N 124.0(2) . . ?
C01N C00W H00W 118.0 . . ?
O007 C00X C00P 112.5(2) . . ?
O007 C00X C010 125.9(2) . . ?
C010 C00X C00P 121.7(2) . . ?
N00G C00Y H00Y 118.0 . . ?
N00G C00Y C01E 124.0(2) . . ?
C01E C00Y H00Y 118.0 . . ?
C00O C00Z H00Z 120.1 . . ?
C00O C00Z C016 119.8(2) . . ?
C016 C00Z H00Z 120.1 . . ?
C00X C010 C019 117.5(2) . . ?
C00X C010 C01D 123.1(2) . . ?
C019 C010 C01D 119.2(2) . . ?
N00E C011 C00M 116.8(2) . . ?
N00E C011 C01M 122.4(2) . . ?
C01M C011 C00M 120.8(2) . . ?
C013 C012 H012 119.1 . . ?
C017 C012 H012 119.1 . . ?
C017 C012 C013 121.8(3) . . ?
C00T C013 C012 117.0(2) . . ?
C00T C013 C01K 118.5(2) . . ?
C01K C013 C012 124.5(3) . . ?
C00M C014 C01J 118.5(2) . . ?
C00M C014 C01L 118.0(2) . . ?
C01L C014 C01J 123.5(2) . . ?
O004 C015 C00S 118.3(2) . . ?
O00C C015 O004 122.1(2) . . ?
O00C C015 C00S 119.6(2) . . ?
C00R C016 C00Z 120.2(2) . . ?
C00R C016 H016 119.9 . . ?
C00Z C016 H016 119.9 . . ?
C00U C017 H017 119.0 . . ?
C012 C017 C00U 121.9(2) . . ?
C012 C017 H017 119.0 . . ?
C00U C018 C01R 121.8(2) . . ?
C01F C018 C00U 118.2(2) . . ?
C01F C018 C01R 120.0(3) . . ?
C010 C019 H019 119.5 . . ?
C01Q C019 C010 121.0(3) . . ?
C01Q C019 H019 119.5 . . ?
C01G C01A C01W 118.2(2) . . ?
C01L C01A C01G 118.9(2) . . ?
C01L C01A C01W 122.9(2) . . ?
C00V C01B H01Z 120.4 . . ?
C01V C01B C00V 119.2(2) . . ?
C01V C01B H01Z 120.4 . . ?
C00N C01C H01 119.7 . . ?
C01V C01C C00N 120.5(3) . . ?
C01V C01C H01 119.7 . . ?
O009 C01D C010 117.1(2) . . ?
O00B C01D O009 122.3(2) . . ?
O00B C01D C010 120.5(2) . . ?
C00Y C01E C021 118.5(2) . . ?
C01K C01E C00Y 118.5(3) . . ?
C01K C01E C021 122.9(3) . . ?
C018 C01F C01H 119.2(3) . . ?
C018 C01F C01U 122.5(2) . . ?
C01H C01F C01U 118.3(3) . . ?
N00H C01G C01A 124.5(2) . . ?
N00H C01G H01G 117.8 . . ?
C01A C01G H01G 117.8 . . ?
N00F C01H C01F 123.5(3) . . ?
N00F C01H H01H 118.3 . . ?
C01F C01H H01H 118.3 . . ?
C01M C01I C01S 120.1(2) . . ?
C01N C01I C01M 118.7(2) . . ?
C01N C01I C01S 121.2(2) . . ?
C014 C01J H01J 119.3 . . ?
C01X C01J C014 121.3(2) . . ?
C01X C01J H01J 119.3 . . ?
C013 C01K C01Z 120.2(2) . . ?
C01E C01K C013 118.5(3) . . ?
C01E C01K C01Z 121.3(3) . . ?
C014 C01L C01Y 119.4(2) . . ?
C01A C01L C014 118.1(2) . . ?
C01A C01L C01Y 122.5(2) . . ?
C011 C01M C01I 118.2(2) . . ?
C011 C01M C01X 117.9(2) . . ?
C01I C01M C01X 123.9(2) . . ?
C00W C01N C01T 118.4(2) . . ?
C01I C01N C00W 118.6(2) . . ?
C01I C01N C01T 123.0(2) . . ?
H4 N01O H 120.0 . . ?
C020 N01O H4 120.0 . . ?
C020 N01O H 120.0 . . ?
C00P C01P H1 120.5 . . ?
C00P C01P C01Q 119.0(3) . . ?
C01Q C01P H1 120.5 . . ?
C019 C01Q C01P 120.9(2) . . ?
C019 C01Q H2 119.5 . . ?
C01P C01Q H2 119.5 . . ?
C018 C01R H01A 109.5 . . ?
C018 C01R H01B 109.5 . . ?
C018 C01R H01C 109.5 . . ?
H01A C01R H01B 109.5 . . ?
H01A C01R H01C 109.5 . . ?
H01B C01R H01C 109.5 . . ?
C01I C01S H01D 109.5 . . ?
C01I C01S H01E 109.5 . . ?
C01I C01S H01F 109.5 . . ?
H01D C01S H01E 109.5 . . ?
H01D C01S H01F 109.5 . . ?
H01E C01S H01F 109.5 . . ?
C01N C01T H01I 109.5 . . ?
C01N C01T H01K 109.5 . . ?
C01N C01T H01L 109.5 . . ?
H01I C01T H01K 109.5 . . ?
H01I C01T H01L 109.5 . . ?
H01K C01T H01L 109.5 . . ?
C01F C01U H01M 109.5 . . ?
C01F C01U H01N 109.5 . . ?
C01F C01U H01O 109.5 . . ?
H01M C01U H01N 109.5 . . ?
H01M C01U H01O 109.5 . . ?
H01N C01U H01O 109.5 . . ?
C01B C01V C01C 120.7(3) . . ?
C01B C01V H3 119.7 . . ?
C01C C01V H3 119.7 . . ?
C01A C01W H01P 109.5 . . ?
C01A C01W H01Q 109.5 . . ?
C01A C01W H01R 109.5 . . ?
H01P C01W H01Q 109.5 . . ?
H01P C01W H01R 109.5 . . ?
H01Q C01W H01R 109.5 . . ?
C01J C01X C01M 121.8(2) . . ?
C01J C01X H01X 119.1 . . ?
C01M C01X H01X 119.1 . . ?
C01L C01Y H01S 109.5 . . ?
C01L C01Y H01T 109.5 . . ?
C01L C01Y H01U 109.5 . . ?
H01S C01Y H01T 109.5 . . ?
H01S C01Y H01U 109.5 . . ?
H01T C01Y H01U 109.5 . . ?
C01K C01Z H01V 109.5 . . ?
C01K C01Z H01W 109.5 . . ?
C01K C01Z H01Y 109.5 . . ?
H01V C01Z H01W 109.5 . . ?
H01V C01Z H01Y 109.5 . . ?
H01W C01Z H01Y 109.5 . . ?
O00J C020 N01O 125.0(4) . . ?
O00J C020 H020 117.5 . . ?
N01O C020 H020 117.5 . . ?
C01E C021 H02A 109.5 . . ?
C01E C021 H02B 109.5 . . ?
C01E C021 H02C 109.5 . . ?
H02A C021 H02B 109.5 . . ?
H02A C021 H02C 109.5 . . ?
H02B C021 H02C 109.5 . . ?
Cu01 O1 H1A 117.2 . . ?
Cu01 O1 H1B 117.1 . . ?
H1A O1 H1B 104.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Cu01 N00E C00W C01N 177.6(2) . . . . ?
Cu01 N00E C011 C00M 2.7(3) . . . . ?
Cu01 N00E C011 C01M -177.6(2) . . . . ?
Cu01 N00F C00L C00T 10.7(3) . . . . ?
Cu01 N00F C00L C00U -171.9(2) . . . . ?
Cu01 N00F C01H C01F 173.0(2) . . . . ?
Cu01 N00G C00T C00L -8.0(3) . . . . ?
Cu01 N00G C00T C013 174.7(2) . . . . ?
Cu01 N00G C00Y C01E -175.7(2) . . . . ?
Cu01 N00H C00M C011 -1.6(3) . . . . ?
Cu01 N00H C00M C014 178.7(2) . . . . ?
Cu01 N00H C01G C01A -179.6(2) . . . . ?
Al02 O004 C015 O00C -163.3(2) . . . . ?
Al02 O004 C015 C00S 16.4(3) . . . . ?
Al02 O005 C00K C00O 150.55(17) . . . . ?
Al02 O005 C00K C00S -30.1(3) . . . . ?
Al02 O006 C00Q C00N 99.1(2) 2_676 . . . ?
Al02 O006 C00Q C00N -89.8(3) . . . . ?
Al02 O006 C00Q C00V -80.1(3) 2_676 . . . ?
Al02 O006 C00Q C00V 91.1(3) . . . . ?
Al02 O007 C00X C00P 168.20(17) . . . . ?
Al02 O007 C00X C010 -12.5(3) . . . . ?
Al02 O009 C01D O00B -156.4(2) . . . . ?
Al02 O009 C01D C010 26.2(3) . . . . ?
Al03 O005 C00K C00O -6.7(2) 2_676 . . . ?
Al03 O005 C00K C00S 172.6(2) 2_676 . . . ?
Al03 O007 C00X C00P 1.2(3) . . . . ?
Al03 O007 C00X C010 -179.6(2) . . . . ?
Al03 O008 C00N C00Q -6.3(4) . . . . ?
Al03 O008 C00N C01C 170.59(19) . . . . ?
Al03 O00A C00P C00X -7.5(3) . . . . ?
Al03 O00A C00P C01P 172.8(2) . . . . ?
Al03 O00D C00O C00K 8.6(3) 2_676 . . . ?
Al03 O00D C00O C00Z -172.4(2) 2_676 . . . ?
O004 Al02 O006 Al02 175.62(9) . . . 2_676 ?
O004 Al02 O006 C00Q 2.7(2) . . . . ?
O004 Al02 O009 C01D 56.7(2) . . . . ?
O005 Al02 O004 C015 -34.5(2) . . . . ?
O005 Al02 O006 Al02 84.38(8) . . . 2_676 ?
O005 Al02 O006 C00Q -88.53(19) . . . . ?
O005 Al02 O009 C01D 148.1(2) . . . . ?
O005 Al03 O008 C00N -37.4(3) 2_676 . . . ?
O005 Al03 O00A C00P 89.0(2) 2_676 . . . ?
O005 C00K C00O O00D -1.0(3) . . . . ?
O005 C00K C00O C00Z 179.9(2) . . . . ?
O005 C00K C00S C00R -178.7(2) . . . . ?
O005 C00K C00S C015 2.0(4) . . . . ?
O006 Al02 O004 C015 -125.2(2) . . . . ?
O006 Al02 O006 Al02 0.002(1) 2_676 . . 2_676 ?
O006 Al02 O006 C00Q -172.9(2) 2_676 . . . ?
O006 Al02 O009 C01D -127.1(2) 2_676 . . . ?
O006 C00Q C00V C01B 179.9(2) . . . . ?
O007 Al02 O004 C015 150.0(2) . . . . ?
O007 Al02 O006 Al02 -90.92(8) . . . 2_676 ?
O007 Al02 O006 C00Q 96.16(19) . . . . ?
O007 Al02 O009 C01D -37.3(2) . . . . ?
O007 Al03 O008 C00N 57.2(2) . . . . ?
O007 Al03 O00A C00P 6.36(18) . . . . ?
O007 C00X C010 C019 176.1(2) . . . . ?
O007 C00X C010 C01D -8.3(4) . . . . ?
O008 Al03 O00A C00P -94.2(2) . . . . ?
O008 C00N C00Q O006 -2.6(4) . . . . ?
O008 C00N C00Q C00V 176.5(2) . . . . ?
O008 C00N C01C C01V -177.4(2) . . . . ?
O009 Al02 O004 C015 57.5(2) . . . . ?
O00A Al03 O008 C00N 145.0(2) . . . . ?
O00A C00P C00X O007 3.8(3) . . . . ?
O00A C00P C00X C010 -175.5(2) . . . . ?
O00A C00P C01P C01Q 179.1(3) . . . . ?
O00D Al03 O008 C00N -124.5(2) 2_676 . . . ?
O00D Al03 O00A C00P 168.71(19) 2_676 . . . ?
O00D C00O C00Z C016 179.8(2) . . . . ?
N00E C00W C01N C01I 0.6(4) . . . . ?
N00E C00W C01N C01T -179.6(3) . . . . ?
N00E C011 C01M C01I -1.0(4) . . . . ?
N00E C011 C01M C01X -179.9(3) . . . . ?
N00F C00L C00T N00G -1.6(3) . . . . ?
N00F C00L C00T C013 175.8(2) . . . . ?
N00F C00L C00U C017 -179.5(2) . . . . ?
N00F C00L C00U C018 -1.6(4) . . . . ?
N00G C00T C013 C012 -178.4(2) . . . . ?
N00G C00T C013 C01K 2.0(4) . . . . ?
N00G C00Y C01E C01K 1.6(4) . . . . ?
N00G C00Y C01E C021 179.2(3) . . . . ?
N00H C00M C011 N00E -0.5(4) . . . . ?
N00H C00M C011 C01M 179.7(2) . . . . ?
N00H C00M C014 C01J -178.8(3) . . . . ?
N00H C00M C014 C01L 1.6(4) . . . . ?
C00K C00O C00Z C016 -1.2(4) . . . . ?
C00K C00S C015 O004 7.6(4) . . . . ?
C00K C00S C015 O00C -172.8(2) . . . . ?
C00L N00F C01H C01F -0.4(4) . . . . ?
C00L C00T C013 C012 4.4(4) . . . . ?
C00L C00T C013 C01K -175.2(2) . . . . ?
C00L C00U C017 C012 3.3(4) . . . . ?
C00L C00U C018 C01F -1.3(4) . . . . ?
C00L C00U C018 C01R -179.6(2) . . . . ?
C00M N00H C01G C01A -0.1(4) . . . . ?
C00M C011 C01M C01I 178.7(3) . . . . ?
C00M C011 C01M C01X -0.2(4) . . . . ?
C00M C014 C01J C01X -1.8(4) . . . . ?
C00M C014 C01L C01A -1.3(4) . . . . ?
C00M C014 C01L C01Y 177.9(3) . . . . ?
C00N C00Q C00V C01B 0.7(4) . . . . ?
C00N C01C C01V C01B 1.0(4) . . . . ?
C00O C00K C00S C00R 0.5(4) . . . . ?
C00O C00K C00S C015 -178.8(2) . . . . ?
C00O C00Z C016 C00R 0.8(4) . . . . ?
C00P C00X C010 C019 -4.7(4) . . . . ?
C00P C00X C010 C01D 170.9(2) . . . . ?
C00P C01P C01Q C019 -2.4(4) . . . . ?
C00Q C00N C01C C01V -0.4(4) . . . . ?
C00Q C00V C01B C01V -0.2(4) . . . . ?
C00R C00S C015 O004 -171.7(2) . . . . ?
C00R C00S C015 O00C 7.9(4) . . . . ?
C00S C00K C00O O00D 179.6(2) . . . . ?
C00S C00K C00O C00Z 0.6(4) . . . . ?
C00S C00R C016 C00Z 0.3(4) . . . . ?
C00T N00G C00Y C01E -0.5(4) . . . . ?
C00T C00L C00U C017 -2.2(4) . . . . ?
C00T C00L C00U C018 175.7(2) . . . . ?
C00T C013 C01K C01E -0.8(4) . . . . ?
C00T C013 C01K C01Z 178.5(3) . . . . ?
C00U C00L C00T N00G -179.0(2) . . . . ?
C00U C00L C00T C013 -1.7(4) . . . . ?
C00U C018 C01F C01H 3.2(4) . . . . ?
C00U C018 C01F C01U -177.6(3) . . . . ?
C00V C01B C01V C01C -0.7(4) . . . . ?
C00W N00E C011 C00M -178.6(2) . . . . ?
C00W N00E C011 C01M 1.1(4) . . . . ?
C00X C00P C01P C01Q -0.6(4) . . . . ?
C00X C010 C019 C01Q 1.6(4) . . . . ?
C00X C010 C01D O009 2.8(4) . . . . ?
C00X C010 C01D O00B -174.6(3) . . . . ?
C00Y N00G C00T C00L 176.0(2) . . . . ?
C00Y N00G C00T C013 -1.3(4) . . . . ?
C00Y C01E C01K C013 -0.9(4) . . . . ?
C00Y C01E C01K C01Z 179.8(3) . . . . ?
C010 C019 C01Q C01P 1.9(4) . . . . ?
C011 N00E C00W C01N -0.9(4) . . . . ?
C011 C00M C014 C01J 1.5(4) . . . . ?
C011 C00M C014 C01L -178.1(2) . . . . ?
C011 C01M C01X C01J -0.1(4) . . . . ?
C012 C013 C01K C01E 179.7(3) . . . . ?
C012 C013 C01K C01Z -1.0(4) . . . . ?
C013 C012 C017 C00U -0.6(4) . . . . ?
C014 C00M C011 N00E 179.2(2) . . . . ?
C014 C00M C011 C01M -0.5(4) . . . . ?
C014 C01J C01X C01M 1.1(4) . . . . ?
C016 C00R C00S C00K -1.0(4) . . . . ?
C016 C00R C00S C015 178.4(2) . . . . ?
C017 C00U C018 C01F 176.5(3) . . . . ?
C017 C00U C018 C01R -1.8(4) . . . . ?
C017 C012 C013 C00T -3.3(4) . . . . ?
C017 C012 C013 C01K 176.2(3) . . . . ?
C018 C00U C017 C012 -174.4(3) . . . . ?
C018 C01F C01H N00F -2.5(4) . . . . ?
C019 C010 C01D O009 178.3(2) . . . . ?
C019 C010 C01D O00B 0.8(4) . . . . ?
C01C C00N C00Q O006 -179.6(2) . . . . ?
C01C C00N C00Q C00V -0.4(4) . . . . ?
C01D C010 C019 C01Q -174.1(2) . . . . ?
C01G N00H C00M C011 178.8(2) . . . . ?
C01G N00H C00M C014 -1.0(4) . . . . ?
C01G C01A C01L C014 0.4(4) . . . . ?
C01G C01A C01L C01Y -178.7(3) . . . . ?
C01H N00F C00L C00T -175.0(2) . . . . ?
C01H N00F C00L C00U 2.4(4) . . . . ?
C01I C01M C01X C01J -178.9(3) . . . . ?
C01J C014 C01L C01A 179.2(3) . . . . ?
C01J C014 C01L C01Y -1.7(4) . . . . ?
C01L C014 C01J C01X 177.8(3) . . . . ?
C01L C01A C01G N00H 0.3(4) . . . . ?
C01M C01I C01N C00W -0.5(4) . . . . ?
C01M C01I C01N C01T 179.8(3) . . . . ?
C01N C01I C01M C011 0.6(4) . . . . ?
C01N C01I C01M C01X 179.5(3) . . . . ?
C01P C00P C00X O007 -176.5(2) . . . . ?
C01P C00P C00X C010 4.3(4) . . . . ?
C01R C018 C01F C01H -178.5(2) . . . . ?
C01R C018 C01F C01U 0.7(4) . . . . ?
C01S C01I C01M C011 -178.7(3) . . . . ?
C01S C01I C01M C01X 0.1(4) . . . . ?
C01S C01I C01N C00W 178.9(3) . . . . ?
C01S C01I C01N C01T -0.8(4) . . . . ?
C01U C01F C01H N00F 178.3(3) . . . . ?
C01W C01A C01G N00H 178.1(3) . . . . ?
C01W C01A C01L C014 -177.3(3) . . . . ?
C01W C01A C01L C01Y 3.6(4) . . . . ?
C021 C01E C01K C013 -178.3(3) . . . . ?
C021 C01E C01K C01Z 2.3(5) . . . . ?

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
# end Validation Reply Form
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 6.287
_oxdiff_exptl_absorpt_empirical_full_min 0.270
# start Validation Reply Form
_vrf_PLAT420_AlOC-172            
;
PROBLEM:  D-H Bond Without Acceptor  O1       --H1B      .     Please Check
RESPONSE: These alerts are generated because there is a large amount of disorder
in the structure. There is no strong Q peak near the atom as a receptor.
;
