# Electronic Supplementary Material (ESI) for Nanoscale.
# This journal is © The Royal Society of Chemistry 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_Ag11
_database_code_depnum_ccdc_archive 'CCDC 2287343'
loop_
_audit_author_name
_audit_author_address
'Jian-Hong Liao'
;Department of Chemistry, National Dong Hwa University
Taiwan
;
_audit_update_record             
;
2024-01-22 deposited with the CCDC.	2024-03-05 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C51 H116 Ag11 Cl4 F3 O19 P8 S17'
_chemical_formula_weight         3211.58

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 '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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_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. 
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   21.1314(12)
_cell_length_b                   20.6403(11)
_cell_length_c                   25.9515(14)
_cell_angle_alpha                90
_cell_angle_beta                 110.450(2)
_cell_angle_gamma                90
_cell_volume                     10605.6(10)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9760
_cell_measurement_theta_min      2.25
_cell_measurement_theta_max      26.96

_exptl_crystal_description       prism
_exptl_crystal_colour            red
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.011
_exptl_crystal_F_000             6312
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.080
_exptl_crystal_size_min          0.080
_exptl_absorpt_coefficient_mu    2.596
_shelx_estimated_absorpt_T_min   0.625
_shelx_estimated_absorpt_T_max   0.819
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5743
_exptl_absorpt_correction_T_max  0.7455
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            60351
_diffrn_reflns_av_unetI/netI     0.0439
_diffrn_reflns_av_R_equivalents  0.0413
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_theta_min         1.028
_diffrn_reflns_theta_max         24.998
_diffrn_reflns_theta_full        24.998
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measured_fraction_theta_full 0.989
_diffrn_reflns_Laue_measured_fraction_max 0.989
_diffrn_reflns_Laue_measured_fraction_full 0.989
_diffrn_reflns_point_group_measured_fraction_max 0.989
_diffrn_reflns_point_group_measured_fraction_full 0.989
_reflns_number_total             18458
_reflns_number_gt                15002
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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. 
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0382P)²+98.2095P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         18458
_refine_ls_number_parameters     1110
_refine_ls_number_restraints     402
_refine_ls_R_factor_all          0.0576
_refine_ls_R_factor_gt           0.0426
_refine_ls_wR_factor_ref         0.1128
_refine_ls_wR_factor_gt          0.1023
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_restrained_S_all      1.046
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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
Ag1 Ag 0.33870(3) 0.28806(2) 0.30853(2) 0.02099(12) Uani 1 1 d . . . . .
Ag2 Ag 0.22443(3) 0.28158(2) 0.21055(2) 0.01920(12) Uani 1 1 d . . . . .
Ag3 Ag 0.20722(3) 0.28280(2) 0.31432(2) 0.01900(12) Uani 1 1 d . . . . .
Ag4 Ag 0.25391(3) 0.39597(2) 0.27982(2) 0.01855(12) Uani 1 1 d . . . . .
Ag5 Ag 0.26109(3) 0.17205(2) 0.28567(2) 0.01825(12) Uani 1 1 d . . . . .
Ag6 Ag 0.11037(3) 0.36615(3) 0.21968(2) 0.02294(13) Uani 1 1 d . . . . .
Ag7 Ag 0.34874(3) 0.19122(3) 0.22163(2) 0.02827(14) Uani 1 1 d . . . . .
Ag8 Ag 0.34480(3) 0.38376(3) 0.21255(2) 0.02760(14) Uani 1 1 d . . . . .
Ag9 Ag 0.11064(3) 0.18303(3) 0.22765(2) 0.02585(13) Uani 1 1 d . . . . .
Ag10 Ag 0.06386(3) 0.28622(3) 0.30012(2) 0.02132(12) Uani 1 1 d . . . . .
Ag11 Ag 0.47562(4) 0.28883(3) 0.29709(2) 0.03632(16) Uani 1 1 d . . . . .
Cl1 Cl 0.8573(3) 0.3699(2) 0.29960(18) 0.1136(14) Uani 1 1 d . . . . .
Cl2 Cl 0.9543(3) 0.2748(2) 0.36592(16) 0.1186(16) Uani 1 1 d . . . . .
Cl3 Cl 0.64250(16) 0.23568(12) 1.02942(13) 0.0674(8) Uani 1 1 d . . . . .
Cl4 Cl 0.65272(14) 0.37468(12) 1.02114(13) 0.0623(7) Uani 1 1 d . . . . .
S1 S 0.23684(8) 0.17455(8) 0.37823(7) 0.0184(3) Uani 1 1 d . . . . .
S2 S 0.06501(9) 0.16558(8) 0.30472(7) 0.0200(4) Uani 1 1 d . . . . .
S3 S 0.36834(9) 0.10423(9) 0.29808(8) 0.0234(4) Uani 1 1 d . . . . .
S4 S 0.44532(10) 0.23680(9) 0.37525(7) 0.0278(4) Uani 1 1 d . . . . .
S5 S 0.45683(9) 0.40952(9) 0.28396(7) 0.0256(4) Uani 1 1 d . . . . .
S6 S 0.36168(9) 0.40020(9) 0.36865(7) 0.0225(4) Uani 1 1 d . . . . .
S7 S 0.15284(9) 0.46355(8) 0.28712(7) 0.0185(3) Uani 1 1 d . . . . .
S8 S 0.15585(9) 0.34107(8) 0.37777(7) 0.0194(4) Uani 1 1 d . . . . .
S9 S 0.26087(9) 0.47455(9) 0.20418(7) 0.0233(4) Uani 1 1 d . . . . .
S10 S 0.14264(9) 0.35831(8) 0.13410(7) 0.0190(4) Uani 1 1 d . . . . .
S11 S 0.33625(9) 0.32682(9) 0.12819(7) 0.0234(4) Uani 1 1 d . . . . .
S12 S 0.45822(9) 0.22328(9) 0.21145(7) 0.0238(4) Uani 1 1 d . . . . .
S13 S 0.23895(9) 0.19836(9) 0.13914(7) 0.0227(4) Uani 1 1 d . . . . .
S14 S 0.18309(9) 0.08987(8) 0.21662(7) 0.0204(4) Uani 1 1 d . . . . .
S15 S 0.03925(9) 0.22899(9) 0.13932(7) 0.0221(4) Uani 1 1 d . . . . .
S16 S -0.01043(9) 0.34185(8) 0.21573(7) 0.0207(4) Uani 1 1 d . . . . .
S17 S 0.67133(14) 0.26773(14) 0.35510(12) 0.0353(6) Uani 0.75 1 d D . P A 1
S17B S 0.7454(4) 0.2569(4) 0.3728(3) 0.0353(6) Uani 0.25 1 d D . P B 2
P1 P 0.14805(9) 0.12949(8) 0.36332(7) 0.0171(4) Uani 1 1 d . . . . .
P2 P 0.44845(9) 0.14231(9) 0.35742(8) 0.0227(4) Uani 1 1 d . . . . .
P3 P 0.42776(9) 0.44844(9) 0.34331(7) 0.0218(4) Uani 1 1 d . . . . .
P4 P 0.13175(9) 0.43325(8) 0.35260(7) 0.0165(4) Uani 1 1 d . . . . .
P5 P 0.18456(9) 0.44605(9) 0.13686(8) 0.0226(4) Uani 1 1 d . . . . .
P6 P 0.42541(9) 0.28387(9) 0.14567(7) 0.0208(4) Uani 1 1 d . . . . .
P7 P 0.19813(10) 0.11247(9) 0.14641(7) 0.0205(4) Uani 1 1 d . . . . .
P8 P -0.03440(9) 0.26957(9) 0.15899(7) 0.0198(4) Uani 1 1 d . . . . .
F1 F 0.7564(5) 0.2060(6) 0.3165(5) 0.098(4) Uani 0.75 1 d D . P A 1
F2 F 0.7120(5) 0.2926(4) 0.2723(4) 0.081(3) Uani 0.75 1 d D . P A 1
F3 F 0.6516(6) 0.2059(5) 0.2622(5) 0.063(3) Uani 0.75 1 d D . P A 1
F1B F 0.7646(15) 0.2605(15) 0.2802(14) 0.098(4) Uani 0.25 1 d D . P B 2
F2B F 0.7598(16) 0.1596(13) 0.3131(12) 0.081(3) Uani 0.25 1 d D . P B 2
F3B F 0.6703(19) 0.2239(19) 0.2734(18) 0.063(3) Uani 0.25 1 d D . P B 2
O1 O 0.1482(2) 0.0576(2) 0.34384(18) 0.0220(10) Uani 1 1 d . . . . .
O2 O 0.1352(2) 0.1225(2) 0.41943(17) 0.0195(10) Uani 1 1 d . . . . .
O3 O 0.5149(2) 0.1312(2) 0.3444(2) 0.0261(11) Uani 1 1 d . . . . .
O4 O 0.4630(3) 0.1028(3) 0.4127(2) 0.0291(12) Uani 1 1 d . . . . .
O5 O 0.4921(2) 0.4638(2) 0.39555(19) 0.0258(11) Uani 1 1 d . . . . .
O6 O 0.4012(3) 0.5178(2) 0.32097(19) 0.0260(11) Uani 1 1 d . . . . .
O7 O 0.1651(2) 0.4811(2) 0.40248(18) 0.0221(10) Uani 1 1 d . . . . .
O8 O 0.0548(2) 0.4408(2) 0.34385(19) 0.0222(10) Uani 1 1 d . . . . .
O9 O 0.2066(3) 0.4479(3) 0.0852(2) 0.0359(14) Uani 1 1 d . . . . .
O10 O 0.1289(4) 0.4982(5) 0.1108(4) 0.0206(15) Uani 0.5 1 d D . P C 1
O10B O 0.1305(5) 0.5005(5) 0.1423(4) 0.0206(15) Uani 0.5 1 d D . P C 2
O11 O 0.4249(3) 0.2430(3) 0.0938(2) 0.0326(12) Uani 1 1 d . . . . .
O12 O 0.4798(2) 0.3383(2) 0.1518(2) 0.0276(11) Uani 1 1 d . . . . .
O13 O 0.2442(3) 0.0600(3) 0.1337(2) 0.0389(14) Uani 1 1 d D . . . .
O14 O 0.1264(3) 0.1046(2) 0.09978(19) 0.0280(12) Uani 1 1 d D . . . .
O15 O -0.0864(2) 0.3038(2) 0.10722(19) 0.0255(11) Uani 1 1 d . . . . .
O16 O -0.0731(2) 0.2136(2) 0.1771(2) 0.0244(11) Uani 1 1 d . . . . .
O17 O 0.7260(5) 0.3073(4) 0.3872(4) 0.058(2) Uani 0.75 1 d . U P A 1
O18 O 0.6073(5) 0.2964(5) 0.3297(4) 0.070(3) Uani 0.75 1 d . U P A 1
O19 O 0.6680(6) 0.2067(4) 0.3826(4) 0.060(3) Uani 0.75 1 d . U P A 1
O17B O 0.7037(15) 0.3134(14) 0.3499(13) 0.058(2) Uani 0.25 1 d . . P B 2
O18B O 0.8154(14) 0.2671(15) 0.3957(12) 0.070(3) Uani 0.25 1 d . . P B 2
O19B O 0.7214(18) 0.2065(14) 0.3965(12) 0.060(3) Uani 0.25 1 d . . P B 2
C1 C 0.1966(4) 0.0086(3) 0.3748(3) 0.0251(15) Uani 1 1 d . . . . .
H1 H 0.233041 0.029554 0.406030 0.030 Uiso 1 1 calc R U . . .
C2 C 0.2269(5) -0.0220(4) 0.3354(3) 0.0361(19) Uani 1 1 d . . . . .
H2A H 0.190801 -0.040708 0.304055 0.054 Uiso 1 1 calc R U . . .
H2B H 0.258611 -0.056230 0.354551 0.054 Uiso 1 1 calc R U . . .
H2C H 0.250926 0.011088 0.322336 0.054 Uiso 1 1 calc R U . . .
C3 C 0.1584(4) -0.0402(4) 0.3970(3) 0.0351(19) Uani 1 1 d . . . . .
H3A H 0.137536 -0.017839 0.420295 0.053 Uiso 1 1 calc R U . . .
H3B H 0.189817 -0.073200 0.418646 0.053 Uiso 1 1 calc R U . . .
H3C H 0.123171 -0.061009 0.366170 0.053 Uiso 1 1 calc R U . . .
C4 C 0.1278(3) 0.1808(3) 0.4507(3) 0.0208(14) Uani 1 1 d . . . . .
H4 H 0.118127 0.219676 0.426164 0.025 Uiso 1 1 calc R U . . .
C5 C 0.0688(4) 0.1673(5) 0.4685(3) 0.039(2) Uani 1 1 d . . . . .
H5A H 0.027859 0.162483 0.435957 0.059 Uiso 1 1 calc R U . . .
H5B H 0.063044 0.203337 0.490982 0.059 Uiso 1 1 calc R U . . .
H5C H 0.077032 0.127222 0.490056 0.059 Uiso 1 1 calc R U . . .
C6 C 0.1923(4) 0.1911(4) 0.4990(3) 0.0343(19) Uani 1 1 d . . . . .
H6A H 0.200162 0.153884 0.523922 0.051 Uiso 1 1 calc R U . . .
H6B H 0.188479 0.230563 0.518611 0.051 Uiso 1 1 calc R U . . .
H6C H 0.230227 0.195382 0.485708 0.051 Uiso 1 1 calc R U . . .
C7 C 0.5315(4) 0.0693(4) 0.3231(4) 0.0360(18) Uani 1 1 d . . . . .
H7 H 0.489778 0.051762 0.294525 0.043 Uiso 1 1 calc R U . . .
C8 C 0.5574(6) 0.0209(5) 0.3680(5) 0.066(3) Uani 1 1 d . . . . .
H8A H 0.572357 -0.017952 0.353852 0.098 Uiso 1 1 calc R U . . .
H8B H 0.521307 0.009264 0.381956 0.098 Uiso 1 1 calc R U . . .
H8C H 0.595444 0.039469 0.397926 0.098 Uiso 1 1 calc R U . . .
C9 C 0.5818(5) 0.0858(5) 0.2966(4) 0.053(3) Uani 1 1 d . . . . .
H9A H 0.562192 0.117599 0.267358 0.079 Uiso 1 1 calc R U . . .
H9B H 0.593919 0.046521 0.280971 0.079 Uiso 1 1 calc R U . . .
H9C H 0.622344 0.104074 0.324231 0.079 Uiso 1 1 calc R U . . .
C10 C 0.4142(4) 0.0984(5) 0.4412(4) 0.045(2) Uani 1 1 d . . . . .
H10 H 0.374073 0.126114 0.421942 0.053 Uiso 1 1 calc R U . . .
C11 C 0.4499(6) 0.1242(6) 0.4990(4) 0.064(3) Uani 1 1 d . . . . .
H11A H 0.490598 0.098496 0.517144 0.096 Uiso 1 1 calc R U . . .
H11B H 0.419540 0.121174 0.520128 0.096 Uiso 1 1 calc R U . . .
H11C H 0.462494 0.169581 0.497042 0.096 Uiso 1 1 calc R U . . .
C12 C 0.3930(5) 0.0298(5) 0.4387(5) 0.062(3) Uani 1 1 d . . . . .
H12A H 0.367703 0.017932 0.400459 0.094 Uiso 1 1 calc R U . . .
H12B H 0.364128 0.023978 0.460861 0.094 Uiso 1 1 calc R U . . .
H12C H 0.432953 0.002127 0.453176 0.094 Uiso 1 1 calc R U . . .
C13 C 0.5329(4) 0.4106(4) 0.4286(3) 0.0261(16) Uani 1 1 d . . . . .
H13 H 0.511435 0.368169 0.413806 0.031 Uiso 1 1 calc R U . . .
C14 C 0.6021(4) 0.4144(5) 0.4235(4) 0.050(3) Uani 1 1 d . . . . .
H14A H 0.597862 0.407402 0.385086 0.075 Uiso 1 1 calc R U . . .
H14B H 0.631457 0.381035 0.446663 0.075 Uiso 1 1 calc R U . . .
H14C H 0.621714 0.457268 0.435445 0.075 Uiso 1 1 calc R U . . .
C15 C 0.5339(4) 0.4194(4) 0.4861(3) 0.040(2) Uani 1 1 d . . . . .
H15A H 0.551990 0.462302 0.499613 0.059 Uiso 1 1 calc R U . . .
H15B H 0.562420 0.385965 0.509875 0.059 Uiso 1 1 calc R U . . .
H15C H 0.487798 0.415629 0.486472 0.059 Uiso 1 1 calc R U . . .
C16 C 0.3812(4) 0.5662(3) 0.3542(3) 0.0280(16) Uani 1 1 d . . . . .
H16 H 0.378953 0.545337 0.388316 0.034 Uiso 1 1 calc R U . . .
C17 C 0.4341(5) 0.6182(4) 0.3694(4) 0.045(2) Uani 1 1 d . . . . .
H17A H 0.477492 0.599646 0.392421 0.068 Uiso 1 1 calc R U . . .
H17B H 0.421057 0.652527 0.389778 0.068 Uiso 1 1 calc R U . . .
H17C H 0.438477 0.636384 0.335902 0.068 Uiso 1 1 calc R U . . .
C18 C 0.3128(4) 0.5908(4) 0.3200(3) 0.0361(19) Uani 1 1 d . . . . .
H18A H 0.314544 0.608969 0.285659 0.054 Uiso 1 1 calc R U . . .
H18B H 0.298741 0.624566 0.340354 0.054 Uiso 1 1 calc R U . . .
H18C H 0.280229 0.555072 0.311670 0.054 Uiso 1 1 calc R U . . .
C19 C 0.2339(4) 0.5068(4) 0.4183(3) 0.0372(19) Uani 1 1 d . . . . .
H19 H 0.249302 0.504978 0.386036 0.045 Uiso 1 1 calc R U . . .
C20 C 0.2797(5) 0.4659(5) 0.4641(4) 0.049(2) Uani 1 1 d . . . . .
H20A H 0.264345 0.467282 0.495635 0.073 Uiso 1 1 calc R U . . .
H20B H 0.325947 0.482617 0.475148 0.073 Uiso 1 1 calc R U . . .
H20C H 0.278725 0.421025 0.451468 0.073 Uiso 1 1 calc R U . . .
C21 C 0.2312(6) 0.5760(4) 0.4349(4) 0.064(3) Uani 1 1 d . . . . .
H21A H 0.200313 0.600324 0.403777 0.097 Uiso 1 1 calc R U . . .
H21B H 0.276420 0.595047 0.445763 0.097 Uiso 1 1 calc R U . . .
H21C H 0.214936 0.577902 0.465904 0.097 Uiso 1 1 calc R U . . .
C22 C 0.0227(4) 0.5060(4) 0.3286(3) 0.0286(17) Uani 1 1 d . . . . .
H22 H 0.057057 0.537788 0.325770 0.034 Uiso 1 1 calc R U . . .
C23 C -0.0319(4) 0.4989(4) 0.2738(3) 0.040(2) Uani 1 1 d . . . . .
H23A H -0.011997 0.487128 0.246235 0.060 Uiso 1 1 calc R U . . .
H23B H -0.056341 0.539984 0.263466 0.060 Uiso 1 1 calc R U . . .
H23C H -0.063372 0.464880 0.275815 0.060 Uiso 1 1 calc R U . . .
C24 C -0.0022(5) 0.5265(5) 0.3737(3) 0.053(3) Uani 1 1 d . . . . .
H24A H -0.036258 0.495582 0.376174 0.080 Uiso 1 1 calc R U . . .
H24B H -0.022280 0.569748 0.365676 0.080 Uiso 1 1 calc R U . . .
H24C H 0.035741 0.527358 0.408762 0.080 Uiso 1 1 calc R U . . .
C25 C 0.2550(5) 0.4960(5) 0.0777(3) 0.049(2) Uani 1 1 d . . . . .
H25 H 0.295789 0.497548 0.111944 0.058 Uiso 1 1 calc R U . . .
C26 C 0.2752(5) 0.4687(5) 0.0313(3) 0.052(2) Uani 1 1 d . . . . .
H26A H 0.234900 0.463798 -0.001715 0.079 Uiso 1 1 calc R U . . .
H26B H 0.296682 0.426359 0.042210 0.079 Uiso 1 1 calc R U . . .
H26C H 0.306983 0.498343 0.023620 0.079 Uiso 1 1 calc R U . . .
C27 C 0.2249(6) 0.5613(5) 0.0665(5) 0.073(3) Uani 1 1 d . . . . .
H27A H 0.182313 0.559361 0.035209 0.110 Uiso 1 1 calc R U . . .
H27B H 0.256189 0.590751 0.057834 0.110 Uiso 1 1 calc R U . . .
H27C H 0.216279 0.577175 0.099006 0.110 Uiso 1 1 calc R U . . .
C28 C 0.0909(7) 0.5278(6) 0.1411(6) 0.030(2) Uani 0.5 1 d D . P C 1
H28 H 0.111871 0.515673 0.180776 0.036 Uiso 0.5 1 calc R U P C 1
C29 C 0.0976(9) 0.6004(7) 0.1354(7) 0.039(3) Uani 0.5 1 d D . P C 1
H29A H 0.144609 0.613365 0.154443 0.059 Uiso 0.5 1 calc R U P C 1
H29B H 0.068392 0.622928 0.151827 0.059 Uiso 0.5 1 calc R U P C 1
H29C H 0.084005 0.611763 0.096419 0.059 Uiso 0.5 1 calc R U P C 1
C30 C 0.0168(6) 0.5070(9) 0.1202(7) 0.039(3) Uani 0.5 1 d D . P C 1
H30A H -0.004461 0.519777 0.081604 0.058 Uiso 0.5 1 calc R U P C 1
H30B H -0.006712 0.528142 0.142246 0.058 Uiso 0.5 1 calc R U P C 1
H30C H 0.013939 0.459913 0.123427 0.058 Uiso 0.5 1 calc R U P C 1
C28B C 0.0581(6) 0.4957(7) 0.1153(5) 0.030(2) Uani 0.5 1 d D . P C 2
H28B H 0.043662 0.451110 0.121355 0.036 Uiso 0.5 1 calc R U P C 2
C29B C 0.0385(9) 0.5067(8) 0.0539(6) 0.039(3) Uani 0.5 1 d D . P C 2
H29D H 0.051345 0.550703 0.047241 0.059 Uiso 0.5 1 calc R U P C 2
H29E H -0.010435 0.501382 0.036164 0.059 Uiso 0.5 1 calc R U P C 2
H29F H 0.061874 0.475215 0.038679 0.059 Uiso 0.5 1 calc R U P C 2
C30B C 0.0286(8) 0.5438(8) 0.1455(7) 0.039(3) Uani 0.5 1 d D . P C 2
H30D H 0.047122 0.534989 0.185056 0.058 Uiso 0.5 1 calc R U P C 2
H30E H -0.020633 0.539163 0.132322 0.058 Uiso 0.5 1 calc R U P C 2
H30F H 0.040406 0.587972 0.138416 0.058 Uiso 0.5 1 calc R U P C 2
C31 C 0.3643(5) 0.2050(4) 0.0577(4) 0.044(2) Uani 1 1 d . . . . .
H31 H 0.322717 0.222148 0.063034 0.052 Uiso 1 1 calc R U . . .
C32 C 0.3757(5) 0.1353(5) 0.0782(4) 0.059(3) Uani 1 1 d . . . . .
H32A H 0.333553 0.110849 0.062815 0.089 Uiso 1 1 calc R U . . .
H32B H 0.390330 0.134887 0.118474 0.089 Uiso 1 1 calc R U . . .
H32C H 0.410661 0.115406 0.066621 0.089 Uiso 1 1 calc R U . . .
C33 C 0.3587(6) 0.2149(5) 0.0011(4) 0.061(3) Uani 1 1 d . . . . .
H33A H 0.346347 0.260068 -0.009336 0.092 Uiso 1 1 calc R U . . .
H33B H 0.323859 0.186130 -0.022818 0.092 Uiso 1 1 calc R U . . .
H33C H 0.402124 0.205248 -0.002994 0.092 Uiso 1 1 calc R U . . .
C34 C 0.5537(4) 0.3302(4) 0.1763(3) 0.0354(18) Uani 1 1 d . . . . .
H34 H 0.564715 0.298393 0.207231 0.043 Uiso 1 1 calc R U . . .
C35 C 0.5807(5) 0.3953(7) 0.1980(6) 0.089(5) Uani 1 1 d . . . . .
H35A H 0.628492 0.391421 0.220895 0.133 Uiso 1 1 calc R U . . .
H35B H 0.555319 0.412433 0.220248 0.133 Uiso 1 1 calc R U . . .
H35C H 0.575939 0.424717 0.167294 0.133 Uiso 1 1 calc R U . . .
C36 C 0.5813(5) 0.3072(5) 0.1348(4) 0.055(3) Uani 1 1 d . . . . .
H36A H 0.555354 0.269581 0.115536 0.083 Uiso 1 1 calc R U . . .
H36B H 0.628700 0.294690 0.152912 0.083 Uiso 1 1 calc R U . . .
H36C H 0.578353 0.341848 0.108248 0.083 Uiso 1 1 calc R U . . .
C37 C 0.2335(7) -0.0107(5) 0.1396(5) 0.046(2) Uani 0.75 1 d D . P D 1
H37 H 0.196591 -0.019012 0.154489 0.056 Uiso 0.75 1 calc R U P D 1
C38 C 0.3014(10) -0.0316(10) 0.1792(13) 0.086(5) Uani 0.75 1 d D . P D 1
H38A H 0.304414 -0.078968 0.179358 0.129 Uiso 0.75 1 calc R U P D 1
H38B H 0.306805 -0.016207 0.216201 0.129 Uiso 0.75 1 calc R U P D 1
H38C H 0.337159 -0.013151 0.167736 0.129 Uiso 0.75 1 calc R U P D 1
C39 C 0.2199(7) -0.0415(6) 0.0859(5) 0.053(3) Uani 0.75 1 d D . P D 1
H39A H 0.255818 -0.030251 0.071673 0.079 Uiso 0.75 1 calc R U P D 1
H39B H 0.176416 -0.026291 0.060169 0.079 Uiso 0.75 1 calc R U P D 1
H39C H 0.218421 -0.088674 0.089836 0.079 Uiso 0.75 1 calc R U P D 1
C40 C 0.1010(6) 0.1393(6) 0.0450(4) 0.030(2) Uani 0.65 1 d D . P E 1
H40 H 0.108110 0.186902 0.051700 0.036 Uiso 0.65 1 calc R U P E 1
C41 C 0.1407(7) 0.1173(7) 0.0105(5) 0.037(2) Uani 0.65 1 d D . P E 1
H41A H 0.133058 0.070935 0.002666 0.056 Uiso 0.65 1 calc R U P E 1
H41B H 0.188914 0.124992 0.030317 0.056 Uiso 0.65 1 calc R U P E 1
H41C H 0.126239 0.141580 -0.024149 0.056 Uiso 0.65 1 calc R U P E 1
C42 C 0.0271(6) 0.1265(7) 0.0194(5) 0.042(3) Uani 0.65 1 d D . P E 1
H42A H 0.008683 0.151515 -0.014737 0.062 Uiso 0.65 1 calc R U P E 1
H42B H 0.004422 0.139500 0.044885 0.062 Uiso 0.65 1 calc R U P E 1
H42C H 0.019598 0.080237 0.011163 0.062 Uiso 0.65 1 calc R U P E 1
C37B C 0.3038(11) 0.0199(14) 0.1659(13) 0.046(2) Uani 0.25 1 d D . P D 2
H37B H 0.316622 0.042548 0.202201 0.056 Uiso 0.25 1 calc R U P D 2
C38B C 0.280(4) -0.044(3) 0.181(4) 0.086(5) Uani 0.25 1 d D . P D 2
H38D H 0.318718 -0.073967 0.193981 0.129 Uiso 0.25 1 calc R U P D 2
H38E H 0.245268 -0.062307 0.149077 0.129 Uiso 0.25 1 calc R U P D 2
H38F H 0.262174 -0.037037 0.210741 0.129 Uiso 0.25 1 calc R U P D 2
C39B C 0.3580(18) 0.0436(17) 0.1474(17) 0.053(3) Uani 0.25 1 d D . P D 2
H39D H 0.397671 0.015453 0.162099 0.079 Uiso 0.25 1 calc R U P D 2
H39E H 0.370152 0.087912 0.160653 0.079 Uiso 0.25 1 calc R U P D 2
H39F H 0.342357 0.043069 0.107128 0.079 Uiso 0.25 1 calc R U P D 2
C40B C 0.1276(11) 0.1084(9) 0.0420(6) 0.030(2) Uani 0.35 1 d D . P E 2
H40B H 0.174537 0.113915 0.041730 0.036 Uiso 0.35 1 calc R U P E 2
C41B C 0.0856(12) 0.1676(11) 0.0218(10) 0.037(2) Uani 0.35 1 d D . P E 2
H41D H 0.088182 0.180673 -0.013756 0.056 Uiso 0.35 1 calc R U P E 2
H41E H 0.102434 0.202856 0.048378 0.056 Uiso 0.35 1 calc R U P E 2
H41F H 0.038519 0.158219 0.017371 0.056 Uiso 0.35 1 calc R U P E 2
C42B C 0.0955(13) 0.0475(11) 0.0140(9) 0.042(3) Uani 0.35 1 d D . P E 2
H42D H 0.047674 0.047231 0.009949 0.062 Uiso 0.35 1 calc R U P E 2
H42E H 0.118203 0.010111 0.035975 0.062 Uiso 0.35 1 calc R U P E 2
H42F H 0.099668 0.045188 -0.022444 0.062 Uiso 0.35 1 calc R U P E 2
C43 C -0.1049(4) 0.2775(4) 0.0510(3) 0.0363(19) Uani 1 1 d . . . . .
H43 H -0.086577 0.232547 0.052595 0.044 Uiso 1 1 calc R U . . .
C44 C -0.0741(5) 0.3198(7) 0.0202(4) 0.068(3) Uani 1 1 d . . . . .
H44A H -0.094387 0.363076 0.016398 0.102 Uiso 1 1 calc R U . . .
H44B H -0.082131 0.301451 -0.016351 0.102 Uiso 1 1 calc R U . . .
H44C H -0.025374 0.323059 0.040197 0.102 Uiso 1 1 calc R U . . .
C45 C -0.1815(5) 0.2756(5) 0.0268(4) 0.050(2) Uani 1 1 d . . . . .
H45A H -0.199448 0.319255 0.027251 0.075 Uiso 1 1 calc R U . . .
H45B H -0.198637 0.246440 0.048659 0.075 Uiso 1 1 calc R U . . .
H45C H -0.195725 0.259843 -0.011210 0.075 Uiso 1 1 calc R U . . .
C46 C -0.1192(4) 0.2222(4) 0.2084(3) 0.0285(16) Uani 1 1 d . . . . .
H46 H -0.096665 0.250326 0.241089 0.034 Uiso 1 1 calc R U . . .
C47 C -0.1285(4) 0.1556(4) 0.2279(3) 0.039(2) Uani 1 1 d . . . . .
H47A H -0.151663 0.128107 0.196091 0.058 Uiso 1 1 calc R U . . .
H47B H -0.155653 0.158372 0.251648 0.058 Uiso 1 1 calc R U . . .
H47C H -0.084278 0.136916 0.248586 0.058 Uiso 1 1 calc R U . . .
C48 C -0.1844(4) 0.2538(4) 0.1732(4) 0.042(2) Uani 1 1 d . . . . .
H48A H -0.174946 0.297125 0.162236 0.063 Uiso 1 1 calc R U . . .
H48B H -0.214838 0.257407 0.194229 0.063 Uiso 1 1 calc R U . . .
H48C H -0.205883 0.227419 0.140321 0.063 Uiso 1 1 calc R U . . .
C49 C 0.6993(4) 0.2423(4) 0.3008(4) 0.052(3) Uani 0.75 1 d D U P A 1
C49B C 0.7358(18) 0.2212(13) 0.3076(8) 0.052(3) Uani 0.25 1 d D . P B 2
C50 C 0.9021(13) 0.3402(11) 0.3698(10) 0.188(10) Uani 1 1 d . U . . .
H50A H 0.929815 0.375348 0.392726 0.226 Uiso 1 1 calc R U . . .
H50B H 0.869141 0.325692 0.386710 0.226 Uiso 1 1 calc R U . . .
C51 C 0.6254(5) 0.3027(5) 0.9846(4) 0.056(3) Uani 1 1 d . . . . .
H51A H 0.648578 0.296994 0.957688 0.067 Uiso 1 1 calc R U . . .
H51B H 0.576218 0.305305 0.963956 0.067 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
Ag1 S4 2.543(2) . ?
Ag1 S6 2.7382(18) . ?
Ag1 Ag4 2.7917(7) . ?
Ag1 Ag2 2.8326(7) . ?
Ag1 Ag3 2.8365(7) . ?
Ag1 Ag5 2.8453(7) . ?
Ag1 Ag11 3.0098(9) . ?
Ag1 Ag7 3.0758(8) . ?
Ag1 Ag8 3.2167(8) . ?
Ag2 S13 2.6222(18) . ?
Ag2 S10 2.6525(17) . ?
Ag2 Ag3 2.8407(7) . ?
Ag2 Ag4 2.9003(7) . ?
Ag2 Ag5 2.9080(7) . ?
Ag2 Ag6 3.0514(8) . ?
Ag2 Ag7 3.1519(8) . ?
Ag2 Ag8 3.2907(8) . ?
Ag2 Ag9 3.2957(8) . ?
Ag3 S8 2.5663(17) . ?
Ag3 S1 2.7220(17) . ?
Ag3 Ag5 2.7686(7) . ?
Ag3 Ag4 2.8017(7) . ?
Ag3 Ag10 2.9219(7) . ?
Ag3 Ag6 3.1093(8) . ?
Ag3 Ag9 3.2026(8) . ?
Ag4 S9 2.5898(18) . ?
Ag4 S7 2.6126(17) . ?
Ag4 S6 2.6153(18) . ?
Ag4 Ag6 2.9508(8) . ?
Ag4 Ag8 3.0238(7) . ?
Ag5 S3 2.5863(18) . ?
Ag5 S14 2.5965(18) . ?
Ag5 S1 2.6258(16) . ?
Ag5 Ag7 2.9155(7) . ?
Ag5 Ag9 3.0136(8) . ?
Ag6 S10 2.5460(17) . ?
Ag6 S16 2.5681(18) . ?
Ag6 S7 2.6101(17) . ?
Ag6 Ag10 3.0787(7) . ?
Ag7 S12 2.5074(19) . ?
Ag7 S13 2.5529(19) . ?
Ag7 S3 2.5993(18) . ?
Ag7 Ag11 3.3783(9) . ?
Ag8 S11 2.4352(18) . ?
Ag8 S5 2.5010(19) . ?
Ag8 S9 2.5369(19) . ?
Ag9 S15 2.4522(18) . ?
Ag9 S2 2.5313(17) . ?
Ag9 S14 2.5358(18) . ?
Ag9 Ag10 3.2170(7) . ?
Ag10 S16 2.4853(18) . ?
Ag10 S2 2.4927(18) . ?
Ag10 S8 2.5267(18) . ?
Ag11 S12 2.5170(19) . ?
Ag11 S5 2.527(2) . ?
Ag11 S4 2.5659(19) . ?
Cl1 C50 1.84(2) . ?
Cl2 C50 1.77(2) . ?
Cl3 C51 1.763(11) . ?
Cl4 C51 1.748(10) . ?
S1 P1 2.007(2) . ?
S2 P1 2.020(2) . ?
S3 P2 2.008(3) . ?
S4 P2 2.011(3) . ?
S5 P3 2.014(2) . ?
S6 P3 2.004(3) . ?
S7 P4 2.002(2) . ?
S8 P4 2.018(2) . ?
S9 P5 2.007(3) . ?
S10 P5 2.006(2) . ?
S11 P6 1.986(3) . ?
S12 P6 2.033(3) . ?
S13 P7 2.009(2) . ?
S14 P7 2.011(2) . ?
S15 P8 1.985(2) . ?
S16 P8 2.032(2) . ?
S17 O18 1.412(9) . ?
S17 O17 1.423(9) . ?
S17 O19 1.462(9) . ?
S17 C49 1.788(11) . ?
S17B O19B 1.39(3) . ?
S17B O18B 1.40(3) . ?
S17B O17B 1.46(3) . ?
S17B C49B 1.790(14) . ?
P1 O1 1.568(5) . ?
P1 O2 1.578(4) . ?
P2 O3 1.572(5) . ?
P2 O4 1.583(5) . ?
P3 O6 1.572(5) . ?
P3 O5 1.581(5) . ?
P4 O8 1.569(5) . ?
P4 O7 1.584(5) . ?
P5 O10 1.563(9) . ?
P5 O9 1.565(6) . ?
P5 O10B 1.643(10) . ?
P6 O12 1.575(5) . ?
P6 O11 1.586(5) . ?
P7 O13 1.567(5) . ?
P7 O14 1.583(5) . ?
P8 O15 1.575(5) . ?
P8 O16 1.578(5) . ?
F1 C49 1.356(6) . ?
F2 C49 1.355(6) . ?
F3 C49 1.371(6) . ?
F1B C49B 1.357(9) . ?
F2B C49B 1.359(9) . ?
F3B C49B 1.359(9) . ?
O1 C1 1.464(8) . ?
O2 C4 1.488(8) . ?
O3 C7 1.482(9) . ?
O4 C10 1.468(9) . ?
O5 C13 1.473(9) . ?
O6 C16 1.476(8) . ?
O7 C19 1.466(9) . ?
O8 C22 1.498(8) . ?
O9 C25 1.486(9) . ?
O10 C28 1.441(8) . ?
O10B C28B 1.447(11) . ?
O11 C31 1.514(10) . ?
O12 C34 1.476(9) . ?
O13 C37 1.493(12) . ?
O13 C37B 1.496(15) . ?
O14 C40B 1.510(12) . ?
O14 C40 1.513(11) . ?
O15 C43 1.477(9) . ?
O16 C46 1.481(8) . ?
C1 C2 1.520(10) . ?
C1 C3 1.525(10) . ?
C1 H1 1.0000 . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C4 C5 1.497(10) . ?
C4 C6 1.511(10) . ?
C4 H4 1.0000 . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 C8 1.487(13) . ?
C7 C9 1.493(11) . ?
C7 H7 1.0000 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 C12 1.479(14) . ?
C10 C11 1.521(14) . ?
C10 H10 1.0000 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 C15 1.496(10) . ?
C13 C14 1.515(10) . ?
C13 H13 1.0000 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 C18 1.496(11) . ?
C16 C17 1.501(11) . ?
C16 H16 1.0000 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 C21 1.498(12) . ?
C19 C20 1.504(12) . ?
C19 H19 1.0000 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 C23 1.493(11) . ?
C22 C24 1.501(11) . ?
C22 H22 1.0000 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 C27 1.476(15) . ?
C25 C26 1.517(13) . ?
C25 H25 1.0000 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 C29 1.516(16) . ?
C28 C30 1.530(14) . ?
C28 H28 1.0000 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C28B C29B 1.517(16) . ?
C28B C30B 1.524(14) . ?
C28B H28B 1.0000 . ?
C29B H29D 0.9800 . ?
C29B H29E 0.9800 . ?
C29B H29F 0.9800 . ?
C30B H30D 0.9800 . ?
C30B H30E 0.9800 . ?
C30B H30F 0.9800 . ?
C31 C33 1.448(13) . ?
C31 C32 1.523(13) . ?
C31 H31 1.0000 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 C36 1.472(12) . ?
C34 C35 1.491(14) . ?
C34 H34 1.0000 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 C39 1.466(16) . ?
C37 C38 1.51(2) . ?
C37 H37 1.0000 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C40 C42 1.492(15) . ?
C40 C41 1.496(14) . ?
C40 H40 1.0000 . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C37B C39B 1.472(18) . ?
C37B C38B 1.51(2) . ?
C37B H37B 1.0000 . ?
C38B H38D 0.9800 . ?
C38B H38E 0.9800 . ?
C38B H38F 0.9800 . ?
C39B H39D 0.9800 . ?
C39B H39E 0.9800 . ?
C39B H39F 0.9800 . ?
C40B C42B 1.492(17) . ?
C40B C41B 1.494(16) . ?
C40B H40B 1.0000 . ?
C41B H41D 0.9800 . ?
C41B H41E 0.9800 . ?
C41B H41F 0.9800 . ?
C42B H42D 0.9800 . ?
C42B H42E 0.9800 . ?
C42B H42F 0.9800 . ?
C43 C44 1.479(13) . ?
C43 C45 1.518(12) . ?
C43 H43 1.0000 . ?
C44 H44A 0.9800 . ?
C44 H44B 0.9800 . ?
C44 H44C 0.9800 . ?
C45 H45A 0.9800 . ?
C45 H45B 0.9800 . ?
C45 H45C 0.9800 . ?
C46 C47 1.501(11) . ?
C46 C48 1.510(11) . ?
C46 H46 1.0000 . ?
C47 H47A 0.9800 . ?
C47 H47B 0.9800 . ?
C47 H47C 0.9800 . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?
C50 H50A 0.9900 . ?
C50 H50B 0.9900 . ?
C51 H51A 0.9900 . ?
C51 H51B 0.9900 . ?

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
S4 Ag1 S6 91.45(6) . . ?
S4 Ag1 Ag4 147.89(5) . . ?
S6 Ag1 Ag4 56.44(4) . . ?
S4 Ag1 Ag2 150.00(5) . . ?
S6 Ag1 Ag2 118.51(4) . . ?
Ag4 Ag1 Ag2 62.080(18) . . ?
S4 Ag1 Ag3 126.81(5) . . ?
S6 Ag1 Ag3 89.10(4) . . ?
Ag4 Ag1 Ag3 59.702(18) . . ?
Ag2 Ag1 Ag3 60.143(18) . . ?
S4 Ag1 Ag5 95.78(5) . . ?
S6 Ag1 Ag5 143.59(4) . . ?
Ag4 Ag1 Ag5 110.27(2) . . ?
Ag2 Ag1 Ag5 61.615(18) . . ?
Ag3 Ag1 Ag5 58.324(17) . . ?
S4 Ag1 Ag11 54.26(5) . . ?
S6 Ag1 Ag11 93.81(4) . . ?
Ag4 Ag1 Ag11 121.26(2) . . ?
Ag2 Ag1 Ag11 117.33(2) . . ?
Ag3 Ag1 Ag11 176.90(3) . . ?
Ag5 Ag1 Ag11 119.19(2) . . ?
S4 Ag1 Ag7 87.54(5) . . ?
S6 Ag1 Ag7 157.39(4) . . ?
Ag4 Ag1 Ag7 121.67(2) . . ?
Ag2 Ag1 Ag7 64.323(19) . . ?
Ag3 Ag1 Ag7 109.49(2) . . ?
Ag5 Ag1 Ag7 58.841(17) . . ?
Ag11 Ag1 Ag7 67.429(19) . . ?
S4 Ag1 Ag8 121.13(5) . . ?
S6 Ag1 Ag8 82.82(4) . . ?
Ag4 Ag1 Ag8 59.937(17) . . ?
Ag2 Ag1 Ag8 65.552(18) . . ?
Ag3 Ag1 Ag8 111.69(2) . . ?
Ag5 Ag1 Ag8 122.10(2) . . ?
Ag11 Ag1 Ag8 67.693(19) . . ?
Ag7 Ag1 Ag8 78.440(19) . . ?
S13 Ag2 S10 93.96(6) . . ?
S13 Ag2 Ag1 113.07(5) . . ?
S10 Ag2 Ag1 140.49(4) . . ?
S13 Ag2 Ag3 139.57(4) . . ?
S10 Ag2 Ag3 115.98(4) . . ?
Ag1 Ag2 Ag3 59.996(18) . . ?
S13 Ag2 Ag4 156.70(4) . . ?
S10 Ag2 Ag4 85.42(4) . . ?
Ag1 Ag2 Ag4 58.266(17) . . ?
Ag3 Ag2 Ag4 58.409(17) . . ?
S13 Ag2 Ag5 83.97(4) . . ?
S10 Ag2 Ag5 156.49(4) . . ?
Ag1 Ag2 Ag5 59.407(18) . . ?
Ag3 Ag2 Ag5 57.567(17) . . ?
Ag4 Ag2 Ag5 105.55(2) . . ?
S13 Ag2 Ag6 136.07(5) . . ?
S10 Ag2 Ag6 52.45(4) . . ?
Ag1 Ag2 Ag6 110.61(2) . . ?
Ag3 Ag2 Ag6 63.582(17) . . ?
Ag4 Ag2 Ag6 59.378(17) . . ?
Ag5 Ag2 Ag6 115.17(2) . . ?
S13 Ag2 Ag7 51.49(4) . . ?
S10 Ag2 Ag7 136.56(4) . . ?
Ag1 Ag2 Ag7 61.584(18) . . ?
Ag3 Ag2 Ag7 107.30(2) . . ?
Ag4 Ag2 Ag7 115.69(2) . . ?
Ag5 Ag2 Ag7 57.347(17) . . ?
Ag6 Ag2 Ag7 170.81(2) . . ?
S13 Ag2 Ag8 98.64(4) . . ?
S10 Ag2 Ag8 85.83(4) . . ?
Ag1 Ag2 Ag8 62.855(18) . . ?
Ag3 Ag2 Ag8 109.49(2) . . ?
Ag4 Ag2 Ag8 58.064(17) . . ?
Ag5 Ag2 Ag8 117.66(2) . . ?
Ag6 Ag2 Ag8 105.03(2) . . ?
Ag7 Ag2 Ag8 76.278(19) . . ?
S13 Ag2 Ag9 87.82(4) . . ?
S10 Ag2 Ag9 98.85(4) . . ?
Ag1 Ag2 Ag9 109.97(2) . . ?
Ag3 Ag2 Ag9 62.401(17) . . ?
Ag4 Ag2 Ag9 115.33(2) . . ?
Ag5 Ag2 Ag9 57.721(17) . . ?
Ag6 Ag2 Ag9 73.102(18) . . ?
Ag7 Ag2 Ag9 104.27(2) . . ?
Ag8 Ag2 Ag9 171.79(2) . . ?
S8 Ag3 S1 93.01(5) . . ?
S8 Ag3 Ag5 149.89(4) . . ?
S1 Ag3 Ag5 57.13(4) . . ?
S8 Ag3 Ag4 95.13(4) . . ?
S1 Ag3 Ag4 147.93(4) . . ?
Ag5 Ag3 Ag4 112.26(2) . . ?
S8 Ag3 Ag1 131.13(4) . . ?
S1 Ag3 Ag1 92.45(4) . . ?
Ag5 Ag3 Ag1 60.997(18) . . ?
Ag4 Ag3 Ag1 59.354(18) . . ?
S8 Ag3 Ag2 146.66(4) . . ?
S1 Ag3 Ag2 119.47(4) . . ?
Ag5 Ag3 Ag2 62.438(18) . . ?
Ag4 Ag3 Ag2 61.860(18) . . ?
Ag1 Ag3 Ag2 59.862(18) . . ?
S8 Ag3 Ag10 54.36(4) . . ?
S1 Ag3 Ag10 95.99(4) . . ?
Ag5 Ag3 Ag10 119.44(2) . . ?
Ag4 Ag3 Ag10 113.88(2) . . ?
Ag1 Ag3 Ag10 169.72(2) . . ?
Ag2 Ag3 Ag10 110.56(2) . . ?
S8 Ag3 Ag6 86.46(4) . . ?
S1 Ag3 Ag6 152.04(4) . . ?
Ag5 Ag3 Ag6 117.62(2) . . ?
Ag4 Ag3 Ag6 59.624(17) . . ?
Ag1 Ag3 Ag6 108.88(2) . . ?
Ag2 Ag3 Ag6 61.512(17) . . ?
Ag10 Ag3 Ag6 61.297(17) . . ?
S8 Ag3 Ag9 116.32(4) . . ?
S1 Ag3 Ag9 81.64(4) . . ?
Ag5 Ag3 Ag9 60.099(18) . . ?
Ag4 Ag3 Ag9 121.39(2) . . ?
Ag1 Ag3 Ag9 112.53(2) . . ?
Ag2 Ag3 Ag9 65.780(18) . . ?
Ag10 Ag3 Ag9 63.177(17) . . ?
Ag6 Ag3 Ag9 73.676(18) . . ?
S9 Ag4 S7 89.14(6) . . ?
S9 Ag4 S6 112.62(6) . . ?
S7 Ag4 S6 113.60(6) . . ?
S9 Ag4 Ag1 120.06(5) . . ?
S7 Ag4 Ag1 150.61(4) . . ?
S6 Ag4 Ag1 60.75(4) . . ?
S9 Ag4 Ag3 152.13(5) . . ?
S7 Ag4 Ag3 91.94(4) . . ?
S6 Ag4 Ag3 92.38(4) . . ?
Ag1 Ag4 Ag3 60.944(18) . . ?
S9 Ag4 Ag2 95.56(4) . . ?
S7 Ag4 Ag2 118.40(4) . . ?
S6 Ag4 Ag2 120.39(4) . . ?
Ag1 Ag4 Ag2 59.654(18) . . ?
Ag3 Ag4 Ag2 59.731(18) . . ?
S9 Ag4 Ag6 92.86(4) . . ?
S7 Ag4 Ag6 55.56(4) . . ?
S6 Ag4 Ag6 152.97(4) . . ?
Ag1 Ag4 Ag6 114.84(2) . . ?
Ag3 Ag4 Ag6 65.378(19) . . ?
Ag2 Ag4 Ag6 62.861(18) . . ?
S9 Ag4 Ag8 53.05(4) . . ?
S7 Ag4 Ag8 141.88(4) . . ?
S6 Ag4 Ag8 88.77(4) . . ?
Ag1 Ag4 Ag8 67.025(19) . . ?
Ag3 Ag4 Ag8 118.73(2) . . ?
Ag2 Ag4 Ag8 67.450(18) . . ?
Ag6 Ag4 Ag8 114.85(2) . . ?
S3 Ag5 S14 92.85(6) . . ?
S3 Ag5 S1 109.84(6) . . ?
S14 Ag5 S1 111.38(5) . . ?
S3 Ag5 Ag3 146.93(5) . . ?
S14 Ag5 Ag3 120.22(4) . . ?
S1 Ag5 Ag3 60.54(4) . . ?
S3 Ag5 Ag1 90.76(4) . . ?
S14 Ag5 Ag1 150.97(4) . . ?
S1 Ag5 Ag1 94.31(4) . . ?
Ag3 Ag5 Ag1 60.678(18) . . ?
S3 Ag5 Ag2 121.39(4) . . ?
S14 Ag5 Ag2 95.11(4) . . ?
S1 Ag5 Ag2 120.43(4) . . ?
Ag3 Ag5 Ag2 59.995(18) . . ?
Ag1 Ag5 Ag2 58.978(18) . . ?
S3 Ag5 Ag7 56.00(4) . . ?
S14 Ag5 Ag7 94.11(4) . . ?
S1 Ag5 Ag7 152.21(4) . . ?
Ag3 Ag5 Ag7 116.34(2) . . ?
Ag1 Ag5 Ag7 64.529(19) . . ?
Ag2 Ag5 Ag7 65.535(19) . . ?
S3 Ag5 Ag9 145.95(5) . . ?
S14 Ag5 Ag9 53.11(4) . . ?
S1 Ag5 Ag9 86.94(4) . . ?
Ag3 Ag5 Ag9 67.111(19) . . ?
Ag1 Ag5 Ag9 118.13(2) . . ?
Ag2 Ag5 Ag9 67.609(18) . . ?
Ag7 Ag5 Ag9 118.32(2) . . ?
S10 Ag6 S16 121.21(6) . . ?
S10 Ag6 S7 119.98(6) . . ?
S16 Ag6 S7 106.33(6) . . ?
S10 Ag6 Ag4 86.30(4) . . ?
S16 Ag6 Ag4 152.32(4) . . ?
S7 Ag6 Ag4 55.64(4) . . ?
S10 Ag6 Ag2 55.69(4) . . ?
S16 Ag6 Ag2 133.34(4) . . ?
S7 Ag6 Ag2 113.38(4) . . ?
Ag4 Ag6 Ag2 57.761(17) . . ?
S10 Ag6 Ag10 143.48(4) . . ?
S16 Ag6 Ag10 51.25(4) . . ?
S7 Ag6 Ag10 94.27(4) . . ?
Ag4 Ag6 Ag10 105.42(2) . . ?
Ag2 Ag6 Ag10 101.19(2) . . ?
S10 Ag6 Ag3 110.54(4) . . ?
S16 Ag6 Ag3 107.11(4) . . ?
S7 Ag6 Ag3 85.37(4) . . ?
Ag4 Ag6 Ag3 54.998(17) . . ?
Ag2 Ag6 Ag3 54.906(16) . . ?
Ag10 Ag6 Ag3 56.351(17) . . ?
S12 Ag7 S13 119.87(6) . . ?
S12 Ag7 S3 110.85(6) . . ?
S13 Ag7 S3 122.39(6) . . ?
S12 Ag7 Ag5 152.77(5) . . ?
S13 Ag7 Ag5 85.05(4) . . ?
S3 Ag7 Ag5 55.58(4) . . ?
S12 Ag7 Ag1 102.02(5) . . ?
S13 Ag7 Ag1 107.58(5) . . ?
S3 Ag7 Ag1 85.57(4) . . ?
Ag5 Ag7 Ag1 56.630(17) . . ?
S12 Ag7 Ag2 127.19(5) . . ?
S13 Ag7 Ag2 53.49(4) . . ?
S3 Ag7 Ag2 112.57(4) . . ?
Ag5 Ag7 Ag2 57.118(17) . . ?
Ag1 Ag7 Ag2 54.094(17) . . ?
S12 Ag7 Ag11 47.87(4) . . ?
S13 Ag7 Ag11 139.14(5) . . ?
S3 Ag7 Ag11 94.99(5) . . ?
Ag5 Ag7 Ag11 106.50(2) . . ?
Ag1 Ag7 Ag11 55.354(18) . . ?
Ag2 Ag7 Ag11 99.63(2) . . ?
S11 Ag8 S5 121.50(6) . . ?
S11 Ag8 S9 116.71(6) . . ?
S5 Ag8 S9 111.02(6) . . ?
S11 Ag8 Ag4 134.16(5) . . ?
S5 Ag8 Ag4 100.49(4) . . ?
S9 Ag8 Ag4 54.67(4) . . ?
S11 Ag8 Ag1 112.92(5) . . ?
S5 Ag8 Ag1 80.81(5) . . ?
S9 Ag8 Ag1 107.69(4) . . ?
Ag4 Ag8 Ag1 53.038(16) . . ?
S11 Ag8 Ag2 82.09(5) . . ?
S5 Ag8 Ag2 132.39(5) . . ?
S9 Ag8 Ag2 87.63(4) . . ?
Ag4 Ag8 Ag2 54.486(16) . . ?
Ag1 Ag8 Ag2 51.593(16) . . ?
S15 Ag9 S2 120.92(6) . . ?
S15 Ag9 S14 112.73(6) . . ?
S2 Ag9 S14 113.14(6) . . ?
S15 Ag9 Ag5 133.89(5) . . ?
S2 Ag9 Ag5 102.77(4) . . ?
S14 Ag9 Ag5 54.98(4) . . ?
S15 Ag9 Ag3 116.15(5) . . ?
S2 Ag9 Ag3 82.06(4) . . ?
S14 Ag9 Ag3 107.77(5) . . ?
Ag5 Ag9 Ag3 52.790(16) . . ?
S15 Ag9 Ag10 94.36(4) . . ?
S2 Ag9 Ag10 49.66(4) . . ?
S14 Ag9 Ag10 152.75(4) . . ?
Ag5 Ag9 Ag10 104.11(2) . . ?
Ag3 Ag9 Ag10 54.150(16) . . ?
S15 Ag9 Ag2 82.81(5) . . ?
S2 Ag9 Ag2 133.75(4) . . ?
S14 Ag9 Ag2 87.43(4) . . ?
Ag5 Ag9 Ag2 54.670(16) . . ?
Ag3 Ag9 Ag2 51.819(16) . . ?
Ag10 Ag9 Ag2 93.31(2) . . ?
S16 Ag10 S2 119.76(6) . . ?
S16 Ag10 S8 124.67(6) . . ?
S2 Ag10 S8 114.68(6) . . ?
S16 Ag10 Ag3 115.48(4) . . ?
S2 Ag10 Ag3 88.71(4) . . ?
S8 Ag10 Ag3 55.63(4) . . ?
S16 Ag10 Ag6 53.70(4) . . ?
S2 Ag10 Ag6 124.59(4) . . ?
S8 Ag10 Ag6 87.81(4) . . ?
Ag3 Ag10 Ag6 62.352(17) . . ?
S16 Ag10 Ag9 91.10(4) . . ?
S2 Ag10 Ag9 50.71(4) . . ?
S8 Ag10 Ag9 117.07(4) . . ?
Ag3 Ag10 Ag9 62.673(17) . . ?
Ag6 Ag10 Ag9 73.876(18) . . ?
S12 Ag11 S5 116.31(6) . . ?
S12 Ag11 S4 118.25(6) . . ?
S5 Ag11 S4 116.64(6) . . ?
S12 Ag11 Ag1 103.62(5) . . ?
S5 Ag11 Ag1 84.68(5) . . ?
S4 Ag11 Ag1 53.56(5) . . ?
S12 Ag11 Ag7 47.63(4) . . ?
S5 Ag11 Ag7 117.02(5) . . ?
S4 Ag11 Ag7 80.91(5) . . ?
Ag1 Ag11 Ag7 57.217(18) . . ?
P1 S1 Ag5 106.42(8) . . ?
P1 S1 Ag3 105.21(8) . . ?
Ag5 S1 Ag3 62.33(4) . . ?
P1 S2 Ag10 113.31(9) . . ?
P1 S2 Ag9 100.18(8) . . ?
Ag10 S2 Ag9 79.63(5) . . ?
P2 S3 Ag5 110.54(9) . . ?
P2 S3 Ag7 100.47(9) . . ?
Ag5 S3 Ag7 68.42(5) . . ?
P2 S4 Ag1 109.84(10) . . ?
P2 S4 Ag11 100.76(9) . . ?
Ag1 S4 Ag11 72.19(5) . . ?
P3 S5 Ag8 100.89(9) . . ?
P3 S5 Ag11 111.44(9) . . ?
Ag8 S5 Ag11 87.35(6) . . ?
P3 S6 Ag4 102.67(9) . . ?
P3 S6 Ag1 103.78(8) . . ?
Ag4 S6 Ag1 62.81(4) . . ?
P4 S7 Ag6 101.67(8) . . ?
P4 S7 Ag4 108.97(8) . . ?
Ag6 S7 Ag4 68.80(4) . . ?
P4 S8 Ag10 97.32(8) . . ?
P4 S8 Ag3 110.47(8) . . ?
Ag10 S8 Ag3 70.02(5) . . ?
P5 S9 Ag8 100.55(9) . . ?
P5 S9 Ag4 103.59(9) . . ?
Ag8 S9 Ag4 72.28(5) . . ?
P5 S10 Ag6 99.26(9) . . ?
P5 S10 Ag2 110.37(9) . . ?
Ag6 S10 Ag2 71.85(4) . . ?
P6 S11 Ag8 104.10(9) . . ?
P6 S12 Ag7 101.21(9) . . ?
P6 S12 Ag11 108.21(9) . . ?
Ag7 S12 Ag11 84.50(6) . . ?
P7 S13 Ag7 99.46(9) . . ?
P7 S13 Ag2 110.58(8) . . ?
Ag7 S13 Ag2 75.03(5) . . ?
P7 S14 Ag9 102.66(9) . . ?
P7 S14 Ag5 102.16(9) . . ?
Ag9 S14 Ag5 71.90(5) . . ?
P8 S15 Ag9 101.80(9) . . ?
P8 S16 Ag10 102.71(9) . . ?
P8 S16 Ag6 99.49(8) . . ?
Ag10 S16 Ag6 75.05(5) . . ?
O18 S17 O17 118.8(6) . . ?
O18 S17 O19 112.8(7) . . ?
O17 S17 O19 112.2(6) . . ?
O18 S17 C49 106.4(5) . . ?
O17 S17 C49 101.9(5) . . ?
O19 S17 C49 102.5(5) . . ?
O19B S17B O18B 115(2) . . ?
O19B S17B O17B 121(2) . . ?
O18B S17B O17B 116.7(18) . . ?
O19B S17B C49B 99.9(16) . . ?
O18B S17B C49B 102.5(17) . . ?
O17B S17B C49B 95.3(17) . . ?
O1 P1 O2 103.4(2) . . ?
O1 P1 S1 113.2(2) . . ?
O2 P1 S1 108.3(2) . . ?
O1 P1 S2 101.8(2) . . ?
O2 P1 S2 110.1(2) . . ?
S1 P1 S2 118.82(11) . . ?
O3 P2 O4 102.4(3) . . ?
O3 P2 S3 110.8(2) . . ?
O4 P2 S3 109.8(2) . . ?
O3 P2 S4 107.2(2) . . ?
O4 P2 S4 107.6(2) . . ?
S3 P2 S4 117.99(12) . . ?
O6 P3 O5 102.9(3) . . ?
O6 P3 S6 111.9(2) . . ?
O5 P3 S6 107.9(2) . . ?
O6 P3 S5 104.2(2) . . ?
O5 P3 S5 109.6(2) . . ?
S6 P3 S5 119.11(12) . . ?
O8 P4 O7 101.5(3) . . ?
O8 P4 S7 111.90(19) . . ?
O7 P4 S7 109.4(2) . . ?
O8 P4 S8 105.8(2) . . ?
O7 P4 S8 109.45(19) . . ?
S7 P4 S8 117.61(10) . . ?
O10 P5 O9 91.0(4) . . ?
O9 P5 O10B 118.7(4) . . ?
O10 P5 S10 110.4(4) . . ?
O9 P5 S10 104.6(2) . . ?
O10B P5 S10 108.0(3) . . ?
O10 P5 S9 115.4(4) . . ?
O9 P5 S9 110.4(2) . . ?
O10B P5 S9 95.5(3) . . ?
S10 P5 S9 120.40(11) . . ?
O12 P6 O11 104.7(3) . . ?
O12 P6 S11 107.7(2) . . ?
O11 P6 S11 108.6(2) . . ?
O12 P6 S12 109.4(2) . . ?
O11 P6 S12 106.5(2) . . ?
S11 P6 S12 118.98(11) . . ?
O13 P7 O14 105.5(3) . . ?
O13 P7 S13 105.8(2) . . ?
O14 P7 S13 110.3(2) . . ?
O13 P7 S14 109.7(2) . . ?
O14 P7 S14 104.86(19) . . ?
S13 P7 S14 119.92(11) . . ?
O15 P8 O16 107.6(3) . . ?
O15 P8 S15 110.3(2) . . ?
O16 P8 S15 107.6(2) . . ?
O15 P8 S16 102.2(2) . . ?
O16 P8 S16 110.2(2) . . ?
S15 P8 S16 118.48(11) . . ?
C1 O1 P1 123.8(4) . . ?
C4 O2 P1 120.9(4) . . ?
C7 O3 P2 123.5(5) . . ?
C10 O4 P2 122.7(5) . . ?
C13 O5 P3 120.2(4) . . ?
C16 O6 P3 122.6(4) . . ?
C19 O7 P4 124.7(4) . . ?
C22 O8 P4 118.6(4) . . ?
C25 O9 P5 123.7(5) . . ?
C28 O10 P5 122.3(9) . . ?
C28B O10B P5 124.1(9) . . ?
C31 O11 P6 123.6(5) . . ?
C34 O12 P6 125.9(5) . . ?
C37 O13 P7 121.8(6) . . ?
C37B O13 P7 136.7(14) . . ?
C40B O14 P7 114.2(9) . . ?
C40 O14 P7 126.9(5) . . ?
C43 O15 P8 122.9(5) . . ?
C46 O16 P8 125.8(4) . . ?
O1 C1 C2 107.3(6) . . ?
O1 C1 C3 107.6(6) . . ?
C2 C1 C3 112.4(6) . . ?
O1 C1 H1 109.8 . . ?
C2 C1 H1 109.8 . . ?
C3 C1 H1 109.8 . . ?
C1 C2 H2A 109.5 . . ?
C1 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
C1 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
C1 C3 H3A 109.5 . . ?
C1 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
C1 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
O2 C4 C5 106.0(6) . . ?
O2 C4 C6 109.2(6) . . ?
C5 C4 C6 112.2(6) . . ?
O2 C4 H4 109.8 . . ?
C5 C4 H4 109.8 . . ?
C6 C4 H4 109.8 . . ?
C4 C5 H5A 109.5 . . ?
C4 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
C4 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C4 C6 H6A 109.5 . . ?
C4 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C4 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
O3 C7 C8 110.9(7) . . ?
O3 C7 C9 105.9(7) . . ?
C8 C7 C9 112.8(7) . . ?
O3 C7 H7 109.0 . . ?
C8 C7 H7 109.0 . . ?
C9 C7 H7 109.0 . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C7 C9 H9A 109.5 . . ?
C7 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C7 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
O4 C10 C12 107.1(8) . . ?
O4 C10 C11 106.4(7) . . ?
C12 C10 C11 114.6(8) . . ?
O4 C10 H10 109.5 . . ?
C12 C10 H10 109.5 . . ?
C11 C10 H10 109.5 . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C10 C12 H12A 109.5 . . ?
C10 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C10 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
O5 C13 C15 106.9(6) . . ?
O5 C13 C14 107.3(7) . . ?
C15 C13 C14 113.8(7) . . ?
O5 C13 H13 109.6 . . ?
C15 C13 H13 109.6 . . ?
C14 C13 H13 109.6 . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C13 C15 H15A 109.5 . . ?
C13 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C13 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
O6 C16 C18 107.4(6) . . ?
O6 C16 C17 107.3(6) . . ?
C18 C16 C17 113.0(7) . . ?
O6 C16 H16 109.7 . . ?
C18 C16 H16 109.7 . . ?
C17 C16 H16 109.7 . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C16 C18 H18A 109.5 . . ?
C16 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C16 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
O7 C19 C21 107.0(8) . . ?
O7 C19 C20 108.6(6) . . ?
C21 C19 C20 112.8(7) . . ?
O7 C19 H19 109.4 . . ?
C21 C19 H19 109.4 . . ?
C20 C19 H19 109.4 . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C19 C21 H21A 109.5 . . ?
C19 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C19 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C23 C22 O8 106.9(6) . . ?
C23 C22 C24 113.9(7) . . ?
O8 C22 C24 107.2(6) . . ?
C23 C22 H22 109.5 . . ?
O8 C22 H22 109.5 . . ?
C24 C22 H22 109.5 . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C22 C24 H24A 109.5 . . ?
C22 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C22 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C27 C25 O9 111.5(8) . . ?
C27 C25 C26 113.8(8) . . ?
O9 C25 C26 104.7(7) . . ?
C27 C25 H25 108.9 . . ?
O9 C25 H25 108.9 . . ?
C26 C25 H25 108.9 . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C25 C27 H27A 109.5 . . ?
C25 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C25 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
O10 C28 C29 106.2(11) . . ?
O10 C28 C30 112.6(9) . . ?
C29 C28 C30 111.1(13) . . ?
O10 C28 H28 109.0 . . ?
C29 C28 H28 109.0 . . ?
C30 C28 H28 109.0 . . ?
C28 C29 H29A 109.5 . . ?
C28 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C28 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C28 C30 H30A 109.5 . . ?
C28 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C28 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
O10B C28B C29B 110.6(12) . . ?
O10B C28B C30B 105.1(11) . . ?
C29B C28B C30B 115.6(13) . . ?
O10B C28B H28B 108.4 . . ?
C29B C28B H28B 108.4 . . ?
C30B C28B H28B 108.4 . . ?
C28B C29B H29D 109.5 . . ?
C28B C29B H29E 109.5 . . ?
H29D C29B H29E 109.5 . . ?
C28B C29B H29F 109.5 . . ?
H29D C29B H29F 109.5 . . ?
H29E C29B H29F 109.5 . . ?
C28B C30B H30D 109.5 . . ?
C28B C30B H30E 109.5 . . ?
H30D C30B H30E 109.5 . . ?
C28B C30B H30F 109.5 . . ?
H30D C30B H30F 109.5 . . ?
H30E C30B H30F 109.5 . . ?
C33 C31 O11 107.8(8) . . ?
C33 C31 C32 115.8(8) . . ?
O11 C31 C32 106.0(7) . . ?
C33 C31 H31 109.0 . . ?
O11 C31 H31 109.0 . . ?
C32 C31 H31 109.0 . . ?
C31 C32 H32A 109.5 . . ?
C31 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C31 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C31 C33 H33A 109.5 . . ?
C31 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C31 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C36 C34 O12 110.6(7) . . ?
C36 C34 C35 111.8(8) . . ?
O12 C34 C35 105.5(7) . . ?
C36 C34 H34 109.6 . . ?
O12 C34 H34 109.6 . . ?
C35 C34 H34 109.6 . . ?
C34 C35 H35A 109.5 . . ?
C34 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
C34 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C34 C36 H36A 109.5 . . ?
C34 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C34 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C39 C37 O13 108.2(9) . . ?
C39 C37 C38 110.4(17) . . ?
O13 C37 C38 102.0(11) . . ?
C39 C37 H37 111.9 . . ?
O13 C37 H37 111.9 . . ?
C38 C37 H37 111.9 . . ?
C37 C38 H38A 109.5 . . ?
C37 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C37 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C37 C39 H39A 109.5 . . ?
C37 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
C37 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C42 C40 C41 113.5(10) . . ?
C42 C40 O14 107.9(9) . . ?
C41 C40 O14 109.3(9) . . ?
C42 C40 H40 108.7 . . ?
C41 C40 H40 108.7 . . ?
O14 C40 H40 108.7 . . ?
C40 C41 H41A 109.5 . . ?
C40 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
C40 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C40 C42 H42A 109.5 . . ?
C40 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
C40 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C39B C37B O13 103(2) . . ?
C39B C37B C38B 138(5) . . ?
O13 C37B C38B 110(3) . . ?
C39B C37B H37B 99.6 . . ?
O13 C37B H37B 99.6 . . ?
C38B C37B H37B 99.6 . . ?
C37B C38B H38D 109.5 . . ?
C37B C38B H38E 109.5 . . ?
H38D C38B H38E 109.5 . . ?
C37B C38B H38F 109.5 . . ?
H38D C38B H38F 109.5 . . ?
H38E C38B H38F 109.5 . . ?
C37B C39B H39D 109.5 . . ?
C37B C39B H39E 109.5 . . ?
H39D C39B H39E 109.5 . . ?
C37B C39B H39F 109.5 . . ?
H39D C39B H39F 109.5 . . ?
H39E C39B H39F 109.5 . . ?
C42B C40B C41B 113.8(19) . . ?
C42B C40B O14 106.1(13) . . ?
C41B C40B O14 100.3(13) . . ?
C42B C40B H40B 112.0 . . ?
C41B C40B H40B 112.0 . . ?
O14 C40B H40B 112.0 . . ?
C40B C41B H41D 109.5 . . ?
C40B C41B H41E 109.5 . . ?
H41D C41B H41E 109.5 . . ?
C40B C41B H41F 109.5 . . ?
H41D C41B H41F 109.5 . . ?
H41E C41B H41F 109.5 . . ?
C40B C42B H42D 109.5 . . ?
C40B C42B H42E 109.5 . . ?
H42D C42B H42E 109.5 . . ?
C40B C42B H42F 109.5 . . ?
H42D C42B H42F 109.5 . . ?
H42E C42B H42F 109.5 . . ?
O15 C43 C44 107.6(7) . . ?
O15 C43 C45 107.1(6) . . ?
C44 C43 C45 113.5(8) . . ?
O15 C43 H43 109.5 . . ?
C44 C43 H43 109.5 . . ?
C45 C43 H43 109.5 . . ?
C43 C44 H44A 109.5 . . ?
C43 C44 H44B 109.5 . . ?
H44A C44 H44B 109.5 . . ?
C43 C44 H44C 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
C43 C45 H45A 109.5 . . ?
C43 C45 H45B 109.5 . . ?
H45A C45 H45B 109.5 . . ?
C43 C45 H45C 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
O16 C46 C47 105.3(6) . . ?
O16 C46 C48 110.8(6) . . ?
C47 C46 C48 113.6(7) . . ?
O16 C46 H46 109.0 . . ?
C47 C46 H46 109.0 . . ?
C48 C46 H46 109.0 . . ?
C46 C47 H47A 109.5 . . ?
C46 C47 H47B 109.5 . . ?
H47A C47 H47B 109.5 . . ?
C46 C47 H47C 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C46 C48 H48A 109.5 . . ?
C46 C48 H48B 109.5 . . ?
H48A C48 H48B 109.5 . . ?
C46 C48 H48C 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
F2 C49 F1 105.3(10) . . ?
F2 C49 F3 104.9(9) . . ?
F1 C49 F3 105.5(10) . . ?
F2 C49 S17 112.8(7) . . ?
F1 C49 S17 115.5(8) . . ?
F3 C49 S17 112.1(8) . . ?
F1B C49B F3B 100(3) . . ?
F1B C49B F2B 113(3) . . ?
F3B C49B F2B 111(3) . . ?
F1B C49B S17B 109(2) . . ?
F3B C49B S17B 111(2) . . ?
F2B C49B S17B 111.8(19) . . ?
Cl2 C50 Cl1 108.3(13) . . ?
Cl2 C50 H50A 110.0 . . ?
Cl1 C50 H50A 110.0 . . ?
Cl2 C50 H50B 110.0 . . ?
Cl1 C50 H50B 110.0 . . ?
H50A C50 H50B 108.4 . . ?
Cl4 C51 Cl3 110.9(5) . . ?
Cl4 C51 H51A 109.5 . . ?
Cl3 C51 H51A 109.5 . . ?
Cl4 C51 H51B 109.5 . . ?
Cl3 C51 H51B 109.5 . . ?
H51A C51 H51B 108.1 . . ?

_refine_diff_density_max         2.864
_refine_diff_density_min         -2.017
_refine_diff_density_rms         0.166


# start Validation Reply Form
_vrf_PLAT975_Ag11                
;
PROBLEM: Check Calcd Resid. Dens. 0.99Ang From O18 . 2.76 eA-3  
RESPONSE: This peak could not be assigned to any atoms.

;
_vrf_PLAT971_Ag11                
;
PROBLEM: Check Calcd Resid. Dens. 0.99Ang From O18 2.76 eA-3  
RESPONSE: This peak could not be assigned to any atoms.

;

# end Validation Reply Form




