# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2016

####################################################################### 
# 
# 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_10
_database_code_depnum_ccdc_archive 'CCDC 1481126'
_audit_update_record             
;
2016-05-20 deposited with the CCDC.
2016-08-26 downloaded from the CCDC.
;
_audit_creation_date             2016-03-18
_audit_creation_method           
;
Olex2 1.2
(compiled 2016.02.19 svn.r3266 for OlexSys, GUI svn.r5155)
;
_shelxl_version_number           2014-3
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         
'C50 H47 Ag B2 N8 O9 Zn2, 2.5(C H4 O), (C H3 N O2)'
_chemical_formula_sum            'C53.50 H60 Ag B2 N9 O13.50 Zn2'
_chemical_formula_weight         1305.33
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.1306 4.2820 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0090 0.0039 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn -1.5491 0.6778 '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           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
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                   12.3180(2)
_cell_length_b                   19.2910(4)
_cell_length_c                   27.0609(5)
_cell_angle_alpha                90
_cell_angle_beta                 96.9179(19)
_cell_angle_gamma                90
_cell_volume                     6383.6(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    22299
_cell_measurement_theta_min      4.2630
_cell_measurement_theta_max      72.7850
_cell_measurement_temperature    100
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    3.846
_exptl_absorpt_correction_T_max  1.0
_exptl_absorpt_correction_T_min  0.38
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_colour_primary    'pale yellow'
_exptl_crystal_density_diffrn    1.358
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             2676
_exptl_crystal_size_max          0.8
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1

loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
2 0 -17 0.3677 2.1993 -0.0055 -17.3556 0.1389 -0.2023 0.9694
-3 -11 -1 0.0541 -3.3220 -11.2606 -1.4070 0.5511 -0.8010 -0.2338
2 1 -17 0.3690 1.9475 0.9672 -17.3822 0.1590 -0.1214 0.9798
-5 -9 -1 0.0768 -5.3599 -9.1232 -0.9421 0.7603 -0.5831 -0.2864
5 9 0 0.0835 5.4379 9.1165 -0.0962 -0.7455 0.5718 0.3425
-8 0 -1 0.0688 -7.8950 -0.0826 -0.6681 0.9583 0.1779 -0.2234
8 0 0 0.0759 7.9216 0.1492 0.2631 -0.9529 -0.1769 0.2464
4 -10 0 0.0886 4.0033 -9.9925 -0.0040 -0.3692 -0.8675 -0.0460
-6 7 0 0.0674 -6.0020 6.9938 0.0015 0.6402 0.6842 -0.0717
-4 8 -9 0.1715 -4.0034 7.9953 -9.0040 0.5991 0.6361 0.4769
0 10 10 0.2437 -0.0026 9.9919 10.0132 -0.3396 0.8570 -0.3419
0 -12 -1 0.0482 0.0042 -11.9922 -1.0075 0.1529 -0.9341 -0.1593

_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0355
_diffrn_reflns_av_unetI/netI     0.0270
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.979
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            46094
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.979
_diffrn_reflns_theta_full        67.500
_diffrn_reflns_theta_max         73.083
_diffrn_reflns_theta_min         4.010
_diffrn_ambient_temperature      100
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.979
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_source         'SuperNova (Cu) X-ray Source'
_diffrn_radiation_monochromator  mirror
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'

_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   ?
_diffrn_special_details          ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                11432
_reflns_number_total             12520
_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, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    ?
_refine_diff_density_max         1.614
_refine_diff_density_min         -2.525
_refine_diff_density_rms         0.126
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.000
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     813
_refine_ls_number_reflns         12520
_refine_ls_number_restraints     53
_refine_ls_R_factor_all          0.0878
_refine_ls_R_factor_gt           0.0833
_refine_ls_restrained_S_all      1.007
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0300P)²+55.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1787
_refine_ls_wR_factor_ref         0.1807
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All C(H,H,H,H,H,H) groups, All O(H) groups
2. Restrained distances
 O7S-C5S
 1.47 with sigma of 0.02
 C35-C34A
 2.5 with sigma of 0.02
 C35A-C34
 2.5 with sigma of 0.02
 O1S-C1S
 1.47 with sigma of 0.02
 O6S-C4S = O7S-C5S
 1.47 with sigma of 0.02
 O8S-C6S
 1.47 with sigma of 0.005
 N1SB-C0AA \\sim C0AA-N1SA
 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
C34 \\sim C34A: within 2A with sigma of 0.04 and sigma for terminal atoms of
0.08
C35 \\sim C35A: within 2A with sigma of 0.04 and sigma for terminal atoms of
0.08
C36 \\sim C36A: within 2A with sigma of 0.04 and sigma for terminal atoms of
0.08
Uanis(C5S) \\sim Ueq: with sigma of 0.008 and sigma for terminal atoms of 0.008
Uanis(C1S) \\sim Ueq, Uanis(O1S) \\sim Ueq: with sigma of 0.008 and sigma for
terminal atoms of 0.016
Uanis(N2S) \\sim Ueq: with sigma of 0.008 and sigma for terminal atoms of 0.016
Uanis(O2SB) \\sim Ueq, Uanis(C0AA) \\sim Ueq: with sigma of 0.005 and sigma for
terminal atoms of 0.005
Uanis(N1SB) \\sim Ueq: with sigma of 0.008 and sigma for terminal atoms of 0.016
Uanis(O5S) = Uanis(O4S)
Uanis(C4S) = Uanis(O6S)
4. Others
 Fixed Sof: C34(0.5) H34A(0.5) H34B(0.5) H34C(0.5) C35(0.5) H35A(0.5)
 H35B(0.5) H35C(0.5) C36(0.5) H36A(0.5) H36B(0.5) H36C(0.5) O1S(0.5) H1S(0.5)
 C1S(0.5) H1SA(0.5) H1SB(0.5) H1SC(0.5) O3SB(0.25) O2SB(0.25) N1SB(0.25)
 O2SA(0.25) N1SA(0.25) O3SA(0.25) O4S(0.5) C3S(0.5) H3SA(0.5) H3SB(0.5)
 H3SC(0.5) O5S(0.5) O6S(0.5) H6S(0.5) C4S(0.5) H4SA(0.5) H4SB(0.5) H4SC(0.5)
 C0AA(0.5) H0AA(0.25) H0AB(0.25) H0AC(0.25) H0AD(0.25) H0AE(0.25) H0AF(0.25)
 N2S(0.5) C34A(0.5) H34D(0.5) H34E(0.5) H34F(0.5) C35A(0.5) H35D(0.5) H35E(0.5)
 H35F(0.5) C36A(0.5) H36D(0.5) H36E(0.5) H36F(0.5) O8S(0.5) H8S(0.5) C6S(0.5)
 H6SA(0.5) H6SB(0.5) H6SC(0.5)
 Fixed Uiso: O8S(0.08) C6S(0.08)
5.a Riding coordinates:
 O6S(H6S)
5.b Me refined with riding coordinates:
 C0AA(H0AA,H0AB,H0AC), C0AA(H0AD,H0AE,H0AF)
5.c Aromatic/amide H refined with riding coordinates:
 C3(H3), C5(H5), C7(H7), C8(H8), C15(H15), C17(H17), C19(H19), C20(H20),
 C27(H27), C29(H29), C31(H31), C32(H32), C38(H38), C39(H39), C41(H41), C42(H42),
  C45(H45), C46(H46), C48(H48), C49(H49)
5.d Idealised Me refined as rotating group:
 C10(H10A,H10B,H10C), C11(H11A,H11B,H11C), C12(H12A,H12B,H12C), C22(H22A,H22B,
 H22C), C23(H23A,H23B,H23C), C24(H24A,H24B,H24C), C34(H34A,H34B,H34C), C35(H35A,
 H35B,H35C), C36(H36A,H36B,H36C), C5S(H5SA,H5SB,H5SC), C1S(H1SA,H1SB,H1SC),
 C3S(H3SA,H3SB,H3SC), C4S(H4SA,H4SB,H4SC), C34A(H34D,H34E,H34F), C35A(H35D,H35E,
 H35F), C36A(H36D,H36E,H36F), C6S(H6SA,H6SB,H6SC)
5.e Idealised tetrahedral OH refined as rotating group:
 O7S(H7S), O1S(H1S), O8S(H8S)
;
_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
O1 O -0.1118(4) 0.5312(2) 1.18406(14) 0.0489(11) Uani 1 1 d . . . . .
O2 O -0.1386(3) 0.55343(19) 1.33479(13) 0.0329(8) Uani 1 1 d . . . . .
O3 O -0.1300(4) 0.5747(3) 1.48683(15) 0.0540(12) Uani 1 1 d . . . . .
O4 O -0.1371(4) 0.6565(2) 1.17677(16) 0.0535(11) Uani 1 1 d . . . . .
O5 O -0.1014(3) 0.68693(19) 1.33016(15) 0.0387(9) Uani 1 1 d . . . . .
O6 O -0.0916(5) 0.6987(3) 1.48397(16) 0.0653(15) Uani 1 1 d . . . . .
O7 O 0.0471(4) 0.6084(3) 1.18877(18) 0.0715(16) Uani 1 1 d . . . . .
O8 O 0.0620(3) 0.6005(2) 1.34274(15) 0.0372(8) Uani 1 1 d . . . . .
O9 O 0.0601(3) 0.6167(2) 1.49534(15) 0.0459(10) Uani 1 1 d . . . . .
O7S O 0.1794(8) 0.8603(5) 1.3565(3) 0.136(3) Uani 1 1 d D . . . .
H7S H 0.1379 0.8681 1.3783 0.204 Uiso 1 1 calc GR . . . .
N1 N -0.1333(4) 0.5291(2) 1.23422(17) 0.0388(10) Uani 1 1 d . . . . .
N2 N -0.1352(4) 0.5549(3) 1.43690(17) 0.0390(11) Uani 1 1 d . . . . .
N3 N -0.1360(4) 0.6767(2) 1.22701(18) 0.0422(11) Uani 1 1 d . . . . .
N4 N -0.1096(4) 0.7033(3) 1.43227(18) 0.0442(12) Uani 1 1 d . . . . .
N5 N 0.0697(4) 0.6067(3) 1.2410(2) 0.0504(13) Uani 1 1 d . . . . .
N6 N 0.0799(4) 0.6159(2) 1.44554(18) 0.0374(10) Uani 1 1 d . . . . .
N7 N -0.0472(6) 0.5678(3) 0.9119(2) 0.0639(17) Uani 1 1 d . . . . .
N8 N -0.0236(5) 0.6114(3) 1.7622(2) 0.0515(13) Uani 1 1 d . . . . .
C1 C -0.1876(4) 0.4935(3) 1.33546(19) 0.0308(10) Uani 1 1 d . . . . .
C2 C -0.2178(4) 0.4552(3) 1.2915(2) 0.0351(11) Uani 1 1 d . . . . .
C3 C -0.2725(5) 0.3912(3) 1.2936(2) 0.0404(13) Uani 1 1 d . . . . .
H3 H -0.2933 0.3669 1.2634 0.049 Uiso 1 1 calc R . . . .
C4 C -0.2970(5) 0.3624(3) 1.3373(2) 0.0449(14) Uani 1 1 d . . . . .
C5 C -0.2674(5) 0.4007(3) 1.3803(2) 0.0429(13) Uani 1 1 d . . . . .
H5 H -0.2846 0.3826 1.4111 0.051 Uiso 1 1 calc R . . . .
C6 C -0.2138(4) 0.4643(3) 1.3807(2) 0.0375(12) Uani 1 1 d . . . . .
C7 C -0.1907(5) 0.4759(3) 1.2431(2) 0.0374(12) Uani 1 1 d . . . . .
H7 H -0.2177 0.4477 1.2155 0.045 Uiso 1 1 calc R . . . .
C8 C -0.1892(5) 0.4980(3) 1.4286(2) 0.0406(13) Uani 1 1 d . . . . .
H8 H -0.2151 0.4762 1.4564 0.049 Uiso 1 1 calc R . . . .
C9 C -0.3537(7) 0.2919(3) 1.3395(3) 0.0587(18) Uani 1 1 d . . . . .
C10 C -0.3885(12) 0.2621(5) 1.2871(4) 0.125(5) Uani 1 1 d . . . . .
H10A H -0.4313 0.2969 1.2667 0.187 Uiso 1 1 calc GR . . . .
H10B H -0.4330 0.2205 1.2897 0.187 Uiso 1 1 calc GR . . . .
H10C H -0.3232 0.2501 1.2715 0.187 Uiso 1 1 calc GR . . . .
C11 C -0.2712(11) 0.2412(5) 1.3670(6) 0.128(5) Uani 1 1 d . . . . .
H11A H -0.2095 0.2348 1.3477 0.192 Uiso 1 1 calc GR . . . .
H11B H -0.3069 0.1965 1.3710 0.192 Uiso 1 1 calc GR . . . .
H11C H -0.2444 0.2601 1.3998 0.192 Uiso 1 1 calc GR . . . .
C12 C -0.4557(9) 0.3005(5) 1.3648(4) 0.105(4) Uani 1 1 d . . . . .
H12A H -0.4354 0.3146 1.3994 0.158 Uiso 1 1 calc GR . . . .
H12B H -0.4954 0.2564 1.3639 0.158 Uiso 1 1 calc GR . . . .
H12C H -0.5026 0.3360 1.3474 0.158 Uiso 1 1 calc GR . . . .
C13 C -0.1642(4) 0.7420(3) 1.3248(2) 0.0359(12) Uani 1 1 d . . . . .
C14 C -0.2081(5) 0.7662(3) 1.2772(2) 0.0378(12) Uani 1 1 d . . . . .
C15 C -0.2724(5) 0.8272(3) 1.2733(3) 0.0452(14) Uani 1 1 d . . . . .
H15 H -0.3012 0.8426 1.2410 0.054 Uiso 1 1 calc R . . . .
C16 C -0.2954(5) 0.8652(3) 1.3134(3) 0.0478(15) Uani 1 1 d . . . . .
C17 C -0.2527(5) 0.8410(3) 1.3596(3) 0.0455(14) Uani 1 1 d . . . . .
H17 H -0.2672 0.8664 1.3882 0.055 Uiso 1 1 calc R . . . .
C18 C -0.1885(4) 0.7804(3) 1.3664(2) 0.0392(12) Uani 1 1 d . . . . .
C19 C -0.1915(5) 0.7329(3) 1.2309(2) 0.0445(14) Uani 1 1 d . . . . .
H19 H -0.2239 0.7539 1.2010 0.053 Uiso 1 1 calc R . . . .
C20 C -0.1557(5) 0.7603(3) 1.4179(2) 0.0455(14) Uani 1 1 d . . . . .
H20 H -0.1698 0.7924 1.4429 0.055 Uiso 1 1 calc R . . . .
C21 C -0.3653(6) 0.9318(4) 1.3087(3) 0.0618(19) Uani 1 1 d . . . . .
C22 C -0.3998(9) 0.9535(5) 1.2549(4) 0.099(3) Uani 1 1 d . . . . .
H22A H -0.3347 0.9583 1.2375 0.148 Uiso 1 1 calc GR . . . .
H22B H -0.4383 0.9980 1.2543 0.148 Uiso 1 1 calc GR . . . .
H22C H -0.4483 0.9183 1.2382 0.148 Uiso 1 1 calc GR . . . .
C23 C -0.4705(8) 0.9194(5) 1.3312(5) 0.105(4) Uani 1 1 d . . . . .
H23A H -0.5099 0.8804 1.3143 0.158 Uiso 1 1 calc GR . . . .
H23B H -0.5162 0.9611 1.3272 0.158 Uiso 1 1 calc GR . . . .
H23C H -0.4534 0.9088 1.3667 0.158 Uiso 1 1 calc GR . . . .
C24 C -0.3017(8) 0.9915(4) 1.3334(5) 0.108(4) Uani 1 1 d . . . . .
H24A H -0.2736 0.9788 1.3676 0.162 Uiso 1 1 calc GR . . . .
H24B H -0.3496 1.0320 1.3338 0.162 Uiso 1 1 calc GR . . . .
H24C H -0.2403 1.0027 1.3148 0.162 Uiso 1 1 calc GR . . . .
C25 C 0.1679(4) 0.6093(3) 1.3474(2) 0.0362(12) Uani 1 1 d . . . . .
C26 C 0.2251(4) 0.6132(3) 1.3051(2) 0.0413(13) Uani 1 1 d . . . . .
C27 C 0.3391(5) 0.6217(3) 1.3116(3) 0.0471(15) Uani 1 1 d . . . . .
H27 H 0.3761 0.6238 1.2828 0.056 Uiso 1 1 calc R . . . .
C28 C 0.3997(5) 0.6270(3) 1.3574(3) 0.0490(16) Uani 1 1 d . . . . .
C29 C 0.3437(4) 0.6236(3) 1.3983(3) 0.0465(15) Uani 1 1 d . . . . .
H29 H 0.3839 0.6270 1.4305 0.056 Uiso 1 1 calc R . . . .
C30 C 0.2296(4) 0.6153(3) 1.3948(2) 0.0385(13) Uani 1 1 d . . . . .
C31 C 0.1730(5) 0.6116(4) 1.2546(3) 0.0523(16) Uani 1 1 d . . . . .
H31 H 0.2192 0.6143 1.2290 0.063 Uiso 1 1 calc R . . . .
C32 C 0.1816(4) 0.6149(3) 1.4414(2) 0.0425(14) Uani 1 1 d . . . . .
H32 H 0.2305 0.6139 1.4714 0.051 Uiso 1 1 calc R . . . .
C33 C 0.5237(5) 0.6418(5) 1.3624(3) 0.072(3) Uani 1 1 d . . . . .
C34 C 0.5758(15) 0.5871(8) 1.3261(7) 0.075(5) Uiso 0.5 1 d D U P A 1
H34A H 0.5674 0.5398 1.3384 0.113 Uiso 0.5 1 calc GR . P A 1
H34B H 0.6536 0.5972 1.3257 0.113 Uiso 0.5 1 calc GR . P A 1
H34C H 0.5377 0.5911 1.2922 0.113 Uiso 0.5 1 calc GR . P A 1
C35 C 0.538(2) 0.7276(11) 1.3739(9) 0.113(8) Uiso 0.5 1 d D U P A 2
H35A H 0.4968 0.7538 1.3468 0.169 Uiso 0.5 1 calc GR . P A 2
H35B H 0.6154 0.7402 1.3763 0.169 Uiso 0.5 1 calc GR . P A 2
H35C H 0.5097 0.7386 1.4054 0.169 Uiso 0.5 1 calc GR . P A 2
C36 C 0.584(2) 0.6092(13) 1.4043(9) 0.098(7) Uiso 0.5 1 d . U P A 2
H36A H 0.5594 0.6273 1.4349 0.147 Uiso 0.5 1 calc GR . P A 2
H36B H 0.6619 0.6187 1.4043 0.147 Uiso 0.5 1 calc GR . P A 2
H36C H 0.5713 0.5590 1.4024 0.147 Uiso 0.5 1 calc GR . P A 2
C37 C -0.0656(6) 0.5906(3) 1.1084(2) 0.0496(15) Uani 1 1 d . . . . .
C38 C -0.1496(6) 0.5576(4) 1.0779(3) 0.0616(19) Uani 1 1 d . . . . .
H38 H -0.2097 0.5392 1.0926 0.074 Uiso 1 1 calc R . . . .
C39 C -0.1482(7) 0.5508(4) 1.0273(3) 0.064(2) Uani 1 1 d . . . . .
H39 H -0.2058 0.5275 1.0074 0.077 Uiso 1 1 calc R . . . .
C40 C -0.0600(7) 0.5788(4) 1.0059(2) 0.0582(19) Uani 1 1 d . . . . .
C41 C 0.0240(8) 0.6118(4) 1.0348(3) 0.072(2) Uani 1 1 d . . . . .
H41 H 0.0842 0.6303 1.0203 0.086 Uiso 1 1 calc R . . . .
C42 C 0.0191(7) 0.6174(4) 1.0854(3) 0.067(2) Uani 1 1 d . . . . .
H42 H 0.0767 0.6408 1.1052 0.080 Uiso 1 1 calc R . . . .
C43 C -0.0556(7) 0.5715(4) 0.9530(3) 0.0599(19) Uani 1 1 d . . . . .
C44 C -0.0507(5) 0.6316(3) 1.5635(2) 0.0416(13) Uani 1 1 d . . . . .
C45 C -0.0700(5) 0.5710(3) 1.5892(2) 0.0509(16) Uani 1 1 d . . . . .
H45 H -0.0880 0.5300 1.5706 0.061 Uiso 1 1 calc R . . . .
C46 C -0.0643(5) 0.5681(3) 1.6402(3) 0.0506(16) Uani 1 1 d . . . . .
H46 H -0.0783 0.5259 1.6563 0.061 Uiso 1 1 calc R . . . .
C47 C -0.0375(5) 0.6284(3) 1.6680(2) 0.0420(13) Uani 1 1 d . . . . .
C48 C -0.0178(5) 0.6902(3) 1.6440(2) 0.0465(14) Uani 1 1 d . . . . .
H48 H 0.0000 0.7311 1.6628 0.056 Uiso 1 1 calc R . . . .
C49 C -0.0245(5) 0.6913(3) 1.5927(2) 0.0463(14) Uani 1 1 d . . . . .
H49 H -0.0109 0.7336 1.5765 0.056 Uiso 1 1 calc R . . . .
C50 C -0.0285(5) 0.6219(3) 1.7208(2) 0.0448(14) Uani 1 1 d . . . . .
C5S C 0.1644(12) 0.7883(6) 1.3387(5) 0.128(4) Uani 1 1 d D U . . .
H5SA H 0.1465 0.7882 1.3024 0.192 Uiso 1 1 calc GR . . . .
H5SB H 0.1046 0.7667 1.3540 0.192 Uiso 1 1 calc GR . . . .
H5SC H 0.2320 0.7621 1.3478 0.192 Uiso 1 1 calc GR . . . .
B1 B -0.0670(6) 0.5967(4) 1.1680(3) 0.0472(16) Uani 1 1 d . . . . .
B2 B -0.0539(5) 0.6303(4) 1.5040(3) 0.0403(15) Uani 1 1 d . . . . .
O1S O -0.3626(8) 0.6408(7) 1.1434(4) 0.081(4) Uani 0.5 1 d D U P . .
H1S H -0.3970 0.6268 1.1165 0.122 Uiso 0.5 1 calc GR . P . .
C1S C -0.4028(13) 0.6084(8) 1.1827(7) 0.079(5) Uani 0.5 1 d D U P . .
H1SA H -0.4828 0.6075 1.1770 0.118 Uiso 0.5 1 calc GR . P . .
H1SB H -0.3792 0.6338 1.2135 0.118 Uiso 0.5 1 calc GR . P . .
H1SC H -0.3748 0.5608 1.1857 0.118 Uiso 0.5 1 calc GR . P . .
O3SB O 0.4335(13) 0.5306(8) 1.5072(5) 0.025(3) Uani 0.25 1 d . . P B 1
O2SB O 0.5485(17) 0.4472(11) 1.4778(8) 0.044(5) Uani 0.25 1 d . U P B 1
N1SB N 0.4491(14) 0.4826(10) 1.4841(7) 0.040(4) Uani 0.25 1 d D U P B 1
O2SA O 0.2931(11) 0.3348(10) 1.3703(6) 0.049(5) Uani 0.25 1 d . . P B 2
N1SA N 0.3136(12) 0.3969(10) 1.3764(7) 0.037(4) Uani 0.25 1 d D . P B 2
O3SA O 0.3071(18) 0.4354(12) 1.3420(9) 0.071(6) Uani 0.25 1 d . . P B 2
O4S O -0.3594(11) 0.8343(10) 1.4806(6) 0.104(3) Uani 0.5 1 d . . P . .
C3S C -0.2809(13) 0.7687(8) 1.5465(7) 0.069(4) Uani 0.5 1 d . . P . .
H3SA H -0.2341 0.7379 1.5294 0.103 Uiso 0.5 1 calc GR . P . .
H3SB H -0.3120 0.7428 1.5725 0.103 Uiso 0.5 1 calc GR . P . .
H3SC H -0.2373 0.8075 1.5614 0.103 Uiso 0.5 1 calc GR . P . .
O5S O -0.4537(11) 0.7512(9) 1.5148(5) 0.104(3) Uani 0.5 1 d . . P . .
O6S O 0.253(2) 0.8562(10) 1.4590(7) 0.163(7) Uani 0.5 1 d D . P . .
H6S H 0.2532 0.8846 1.4826 0.244 Uiso 0.5 1 d R . P . .
C4S C 0.245(3) 0.7853(12) 1.4778(10) 0.163(7) Uani 0.5 1 d D . P . .
H4SA H 0.2885 0.7541 1.4594 0.244 Uiso 0.5 1 calc GR . P . .
H4SB H 0.1684 0.7704 1.4732 0.244 Uiso 0.5 1 calc GR . P . .
H4SC H 0.2729 0.7840 1.5132 0.244 Uiso 0.5 1 calc GR . P . .
Zn2 Zn -0.05768(5) 0.61859(4) 1.39042(3) 0.03311(17) Uani 1 1 d . . . . .
Ag1 Ag -0.00658(5) 0.57266(4) 0.83756(2) 0.0688(2) Uani 1 1 d . . . . .
Zn1 Zn -0.06368(6) 0.60780(4) 1.28219(3) 0.03509(18) Uani 1 1 d . . . . .
C0AA C 0.3547(11) 0.4329(7) 1.4399(5) 0.058(3) Uani 0.5 1 d D U P . .
H0AA H 0.3942 0.3945 1.4264 0.087 Uiso 0.25 1 calc R . P B 1
H0AB H 0.2952 0.4143 1.4570 0.087 Uiso 0.25 1 calc R . P B 1
H0AC H 0.3242 0.4633 1.4127 0.087 Uiso 0.25 1 calc R . P B 1
H0AD H 0.3567 0.3955 1.4645 0.087 Uiso 0.25 1 calc R . P B 2
H0AE H 0.4273 0.4540 1.4412 0.087 Uiso 0.25 1 calc R . P B 2
H0AF H 0.3016 0.4681 1.4473 0.087 Uiso 0.25 1 calc R . P B 2
N2S N -0.3671(15) 0.7946(10) 1.5114(7) 0.093(5) Uani 0.5 1 d . U P . .
C34A C 0.5797(18) 0.6290(11) 1.3209(8) 0.092(6) Uiso 0.5 1 d D U P A 2
H34D H 0.5619 0.5823 1.3081 0.138 Uiso 0.5 1 calc GR . P A 2
H34E H 0.6587 0.6325 1.3308 0.138 Uiso 0.5 1 calc GR . P A 2
H34F H 0.5575 0.6632 1.2948 0.138 Uiso 0.5 1 calc GR . P A 2
C35A C 0.5376(14) 0.7131(8) 1.3376(6) 0.066(4) Uiso 0.5 1 d D U P A 1
H35D H 0.5068 0.7110 1.3025 0.099 Uiso 0.5 1 calc GR . P A 1
H35E H 0.6155 0.7247 1.3399 0.099 Uiso 0.5 1 calc GR . P A 1
H35F H 0.4992 0.7487 1.3547 0.099 Uiso 0.5 1 calc GR . P A 1
C36A C 0.5814(13) 0.6382(9) 1.4155(6) 0.057(4) Uiso 0.5 1 d . U P A 1
H36D H 0.5498 0.6728 1.4361 0.086 Uiso 0.5 1 calc GR . P A 1
H36E H 0.6595 0.6477 1.4153 0.086 Uiso 0.5 1 calc GR . P A 1
H36F H 0.5719 0.5919 1.4292 0.086 Uiso 0.5 1 calc GR . P A 1
O8S O 0.3823(10) 0.9599(7) 1.4902(4) 0.080 Uiso 0.5 1 d D . P . .
H8S H 0.4373 0.9784 1.4801 0.120 Uiso 0.5 1 calc GR . P . .
C6S C 0.3977(15) 0.9567(10) 1.5450(4) 0.080 Uiso 0.5 1 d D . P . .
H6SA H 0.3383 0.9297 1.5566 0.120 Uiso 0.5 1 calc GR . P . .
H6SB H 0.3972 1.0037 1.5586 0.120 Uiso 0.5 1 calc GR . P . .
H6SC H 0.4679 0.9345 1.5563 0.120 Uiso 0.5 1 calc GR . 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
O1 N1 1.414(6) . ?
O1 B1 1.467(8) . ?
O1 Ag1 2.586(4) 3_567 ?
O2 C1 1.306(6) . ?
O2 Zn2 2.116(3) . ?
O2 Zn1 2.072(4) . ?
O3 N2 1.398(6) . ?
O3 B2 1.464(8) . ?
O4 N3 1.413(6) . ?
O4 B1 1.477(9) . ?
O5 C13 1.311(6) . ?
O5 Zn2 2.115(4) . ?
O5 Zn1 2.092(4) . ?
O6 N4 1.393(6) . ?
O6 B2 1.479(8) . ?
O7 N5 1.407(7) . ?
O7 B1 1.467(9) . ?
O8 C25 1.307(6) . ?
O8 Zn2 2.102(4) . ?
O8 Zn1 2.119(4) . ?
O9 N6 1.398(6) . ?
O9 B2 1.475(7) . ?
O7S H7S 0.8400 . ?
O7S C5S 1.475(10) . ?
N1 C7 1.286(7) . ?
N1 Zn1 2.111(5) . ?
N2 C8 1.289(7) . ?
N2 Zn2 2.072(5) . ?
N3 C19 1.293(8) . ?
N3 Zn1 2.114(5) . ?
N4 C20 1.278(8) . ?
N4 Zn2 2.129(5) . ?
N5 C31 1.284(8) . ?
N5 Zn1 2.095(5) . ?
N6 C32 1.271(7) . ?
N6 Zn2 2.119(5) . ?
N7 C43 1.132(9) . ?
N7 Ag1 2.132(6) . ?
N8 C50 1.132(8) . ?
N8 Ag1 2.158(6) 1_556 ?
C1 C2 1.412(7) . ?
C1 C6 1.420(8) . ?
C2 C3 1.411(8) . ?
C2 C7 1.445(8) . ?
C3 H3 0.9500 . ?
C3 C4 1.373(9) . ?
C4 C5 1.390(8) . ?
C4 C9 1.534(8) . ?
C5 H5 0.9500 . ?
C5 C6 1.391(8) . ?
C6 C8 1.449(8) . ?
C7 H7 0.9500 . ?
C8 H8 0.9500 . ?
C9 C10 1.543(11) . ?
C9 C11 1.536(14) . ?
C9 C12 1.510(11) . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
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 C14 1.415(8) . ?
C13 C18 1.412(8) . ?
C14 C15 1.415(8) . ?
C14 C19 1.442(8) . ?
C15 H15 0.9500 . ?
C15 C16 1.369(9) . ?
C16 C17 1.378(9) . ?
C16 C21 1.543(8) . ?
C17 H17 0.9500 . ?
C17 C18 1.412(8) . ?
C18 C20 1.454(9) . ?
C19 H19 0.9500 . ?
C20 H20 0.9500 . ?
C21 C22 1.527(12) . ?
C21 C23 1.515(12) . ?
C21 C24 1.504(12) . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
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 C26 1.414(8) . ?
C25 C30 1.416(8) . ?
C26 C27 1.404(8) . ?
C26 C31 1.439(9) . ?
C27 H27 0.9500 . ?
C27 C28 1.372(10) . ?
C28 C29 1.377(9) . ?
C28 C33 1.544(8) . ?
C29 H29 0.9500 . ?
C29 C30 1.406(7) . ?
C30 C32 1.457(9) . ?
C31 H31 0.9500 . ?
C32 H32 0.9500 . ?
C33 C34 1.626(19) . ?
C33 C35 1.69(2) . ?
C33 C36 1.42(2) . ?
C33 C34A 1.41(2) . ?
C33 C35A 1.548(16) . ?
C33 C36A 1.527(18) . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
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 C38 1.397(10) . ?
C37 C42 1.378(10) . ?
C37 B1 1.617(9) . ?
C38 H38 0.9500 . ?
C38 C39 1.377(10) . ?
C39 H39 0.9500 . ?
C39 C40 1.401(11) . ?
C40 C41 1.377(12) . ?
C40 C43 1.445(9) . ?
C41 H41 0.9500 . ?
C41 C42 1.381(10) . ?
C42 H42 0.9500 . ?
C44 C45 1.394(9) . ?
C44 C49 1.412(8) . ?
C44 B2 1.606(9) . ?
C45 H45 0.9500 . ?
C45 C46 1.375(9) . ?
C46 H46 0.9500 . ?
C46 C47 1.402(9) . ?
C47 C48 1.392(9) . ?
C47 C50 1.426(9) . ?
C48 H48 0.9500 . ?
C48 C49 1.382(8) . ?
C49 H49 0.9500 . ?
C5S H5SA 0.9800 . ?
C5S H5SB 0.9800 . ?
C5S H5SC 0.9800 . ?
O1S H1S 0.8400 . ?
O1S C1S 1.376(15) . ?
C1S H1SA 0.9809 . ?
C1S H1SB 0.9809 . ?
C1S H1SC 0.9809 . ?
O3SB O2SB 0.613(19) 3_668 ?
O3SB N1SB 1.46(2) 3_668 ?
O3SB N1SB 1.15(3) . ?
O2SB O3SB 0.613(19) 3_668 ?
O2SB N1SB 1.70(3) 3_668 ?
O2SB N1SB 1.43(3) . ?
N1SB O3SB 1.46(2) 3_668 ?
N1SB O2SB 1.70(3) 3_668 ?
N1SB N1SB 1.58(3) 3_668 ?
N1SB C0AA 1.834(17) . ?
O2SA N1SA 1.23(2) . ?
N1SA O3SA 1.19(3) . ?
N1SA C0AA 1.867(18) . ?
O4S N2S 1.15(2) . ?
C3S H3SA 0.9800 . ?
C3S H3SB 0.9800 . ?
C3S H3SC 0.9800 . ?
C3S N2S 1.43(2) . ?
O5S N2S 1.37(2) . ?
O6S H6S 0.8401 . ?
O6S C4S 1.468(18) . ?
C4S H4SA 0.9800 . ?
C4S H4SB 0.9800 . ?
C4S H4SC 0.9800 . ?
Zn2 Zn1 2.9282(10) . ?
Ag1 O1 2.586(4) 3_567 ?
Ag1 N8 2.158(6) 1_554 ?
C0AA H0AA 0.9800 . ?
C0AA H0AB 0.9800 . ?
C0AA H0AC 0.9800 . ?
C0AA H0AD 0.9800 . ?
C0AA H0AE 0.9800 . ?
C0AA H0AF 0.9800 . ?
C34A H34D 0.9800 . ?
C34A H34E 0.9800 . ?
C34A H34F 0.9800 . ?
C35A H35D 0.9800 . ?
C35A H35E 0.9800 . ?
C35A H35F 0.9800 . ?
C36A H36D 0.9800 . ?
C36A H36E 0.9800 . ?
C36A H36F 0.9800 . ?
O8S H8S 0.8490 . ?
O8S C6S 1.473(5) . ?
C6S H6SA 0.9800 . ?
C6S H6SB 0.9800 . ?
C6S H6SC 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
N1 O1 B1 115.5(4) . . ?
N1 O1 Ag1 111.8(3) . 3_567 ?
B1 O1 Ag1 111.0(4) . 3_567 ?
C1 O2 Zn2 134.0(3) . . ?
C1 O2 Zn1 134.6(3) . . ?
Zn1 O2 Zn2 88.72(13) . . ?
N2 O3 B2 117.5(5) . . ?
N3 O4 B1 115.6(5) . . ?
C13 O5 Zn2 133.0(4) . . ?
C13 O5 Zn1 133.9(4) . . ?
Zn1 O5 Zn2 88.20(14) . . ?
N4 O6 B2 115.5(4) . . ?
N5 O7 B1 116.6(5) . . ?
C25 O8 Zn2 133.3(4) . . ?
C25 O8 Zn1 133.9(4) . . ?
Zn2 O8 Zn1 87.87(13) . . ?
N6 O9 B2 115.8(4) . . ?
C5S O7S H7S 109.5 . . ?
O1 N1 Zn1 117.4(3) . . ?
C7 N1 O1 111.9(5) . . ?
C7 N1 Zn1 130.6(4) . . ?
O3 N2 Zn2 117.0(3) . . ?
C8 N2 O3 111.3(5) . . ?
C8 N2 Zn2 131.7(4) . . ?
O4 N3 Zn1 117.4(3) . . ?
C19 N3 O4 111.5(5) . . ?
C19 N3 Zn1 130.6(4) . . ?
O6 N4 Zn2 117.6(4) . . ?
C20 N4 O6 111.9(5) . . ?
C20 N4 Zn2 130.5(4) . . ?
O7 N5 Zn1 117.4(4) . . ?
C31 N5 O7 110.9(5) . . ?
C31 N5 Zn1 131.2(5) . . ?
O9 N6 Zn2 117.4(3) . . ?
C32 N6 O9 111.9(5) . . ?
C32 N6 Zn2 130.7(4) . . ?
C43 N7 Ag1 169.6(8) . . ?
C50 N8 Ag1 169.7(5) . 1_556 ?
O2 C1 C2 121.8(5) . . ?
O2 C1 C6 121.1(5) . . ?
C2 C1 C6 117.1(5) . . ?
C1 C2 C7 123.6(5) . . ?
C3 C2 C1 120.1(5) . . ?
C3 C2 C7 116.2(5) . . ?
C2 C3 H3 118.5 . . ?
C4 C3 C2 123.1(5) . . ?
C4 C3 H3 118.5 . . ?
C3 C4 C5 116.3(5) . . ?
C3 C4 C9 122.7(6) . . ?
C5 C4 C9 121.0(6) . . ?
C4 C5 H5 118.2 . . ?
C4 C5 C6 123.5(6) . . ?
C6 C5 H5 118.2 . . ?
C1 C6 C8 123.2(5) . . ?
C5 C6 C1 120.0(5) . . ?
C5 C6 C8 116.8(5) . . ?
N1 C7 C2 125.5(5) . . ?
N1 C7 H7 117.2 . . ?
C2 C7 H7 117.2 . . ?
N2 C8 C6 125.9(5) . . ?
N2 C8 H8 117.1 . . ?
C6 C8 H8 117.0 . . ?
C4 C9 C10 111.8(6) . . ?
C4 C9 C11 107.7(7) . . ?
C11 C9 C10 107.6(9) . . ?
C12 C9 C4 109.1(6) . . ?
C12 C9 C10 107.7(8) . . ?
C12 C9 C11 112.9(9) . . ?
C9 C10 H10A 109.4 . . ?
C9 C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C9 C11 H11A 109.4 . . ?
C9 C11 H11B 109.4 . . ?
C9 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C9 C12 H12A 109.5 . . ?
C9 C12 H12B 109.5 . . ?
C9 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
O5 C13 C14 121.6(5) . . ?
O5 C13 C18 121.0(5) . . ?
C18 C13 C14 117.3(5) . . ?
C13 C14 C19 124.3(5) . . ?
C15 C14 C13 119.4(5) . . ?
C15 C14 C19 116.3(6) . . ?
C14 C15 H15 118.2 . . ?
C16 C15 C14 123.6(6) . . ?
C16 C15 H15 118.2 . . ?
C15 C16 C17 116.5(6) . . ?
C15 C16 C21 123.2(6) . . ?
C17 C16 C21 120.3(6) . . ?
C16 C17 H17 118.5 . . ?
C16 C17 C18 123.0(6) . . ?
C18 C17 H17 118.5 . . ?
C13 C18 C17 120.0(6) . . ?
C13 C18 C20 124.3(5) . . ?
C17 C18 C20 115.6(5) . . ?
N3 C19 C14 125.2(6) . . ?
N3 C19 H19 117.4 . . ?
C14 C19 H19 117.4 . . ?
N4 C20 C18 125.7(5) . . ?
N4 C20 H20 117.1 . . ?
C18 C20 H20 117.1 . . ?
C22 C21 C16 113.3(7) . . ?
C23 C21 C16 109.4(6) . . ?
C23 C21 C22 105.9(8) . . ?
C24 C21 C16 110.2(6) . . ?
C24 C21 C22 106.5(8) . . ?
C24 C21 C23 111.6(8) . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
C21 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C21 C23 H23A 109.5 . . ?
C21 C23 H23B 109.5 . . ?
C21 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C21 C24 H24A 109.5 . . ?
C21 C24 H24B 109.5 . . ?
C21 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
O8 C25 C26 121.2(5) . . ?
O8 C25 C30 121.2(5) . . ?
C26 C25 C30 117.5(5) . . ?
C25 C26 C31 123.9(5) . . ?
C27 C26 C25 119.7(6) . . ?
C27 C26 C31 116.4(6) . . ?
C26 C27 H27 118.4 . . ?
C28 C27 C26 123.2(6) . . ?
C28 C27 H27 118.4 . . ?
C27 C28 C29 117.0(5) . . ?
C27 C28 C33 121.2(6) . . ?
C29 C28 C33 121.6(7) . . ?
C28 C29 H29 118.5 . . ?
C28 C29 C30 123.0(6) . . ?
C30 C29 H29 118.5 . . ?
C25 C30 C32 123.7(5) . . ?
C29 C30 C25 119.6(6) . . ?
C29 C30 C32 116.6(6) . . ?
N5 C31 C26 126.0(6) . . ?
N5 C31 H31 117.0 . . ?
C26 C31 H31 117.0 . . ?
N6 C32 C30 125.7(5) . . ?
N6 C32 H32 117.2 . . ?
C30 C32 H32 117.1 . . ?
C28 C33 C34 106.5(9) . . ?
C28 C33 C35 106.1(10) . . ?
C28 C33 C35A 106.7(8) . . ?
C36 C33 C28 113.6(11) . . ?
C36 C33 C35 104.7(15) . . ?
C34A C33 C28 118.1(12) . . ?
C34A C33 C35 105.7(12) . . ?
C34A C33 C36 107.4(15) . . ?
C35A C33 C34 104.1(9) . . ?
C36A C33 C28 114.7(8) . . ?
C36A C33 C34 111.5(10) . . ?
C36A C33 C35A 112.7(11) . . ?
C33 C34 H34A 109.4 . . ?
C33 C34 H34B 109.5 . . ?
C33 C34 H34C 109.5 . . ?
H34A C34 H34B 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C33 C35 H35A 109.4 . . ?
C33 C35 H35B 109.5 . . ?
C33 C35 H35C 109.5 . . ?
H35A C35 H35B 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C33 C36 H36A 109.6 . . ?
C33 C36 H36B 109.4 . . ?
C33 C36 H36C 109.5 . . ?
H36A C36 H36B 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C38 C37 B1 121.8(6) . . ?
C42 C37 C38 116.8(6) . . ?
C42 C37 B1 121.4(6) . . ?
C37 C38 H38 118.8 . . ?
C39 C38 C37 122.3(7) . . ?
C39 C38 H38 118.9 . . ?
C38 C39 H39 120.7 . . ?
C38 C39 C40 118.6(8) . . ?
C40 C39 H39 120.7 . . ?
C39 C40 C43 119.8(8) . . ?
C41 C40 C39 120.6(7) . . ?
C41 C40 C43 119.6(7) . . ?
C40 C41 H41 120.6 . . ?
C40 C41 C42 118.8(7) . . ?
C42 C41 H41 120.6 . . ?
C37 C42 C41 122.9(8) . . ?
C37 C42 H42 118.5 . . ?
C41 C42 H42 118.5 . . ?
N7 C43 C40 176.5(10) . . ?
C45 C44 C49 116.5(6) . . ?
C45 C44 B2 120.1(5) . . ?
C49 C44 B2 123.3(6) . . ?
C44 C45 H45 118.6 . . ?
C46 C45 C44 122.9(6) . . ?
C46 C45 H45 118.5 . . ?
C45 C46 H46 120.5 . . ?
C45 C46 C47 119.0(6) . . ?
C47 C46 H46 120.5 . . ?
C46 C47 C50 116.8(6) . . ?
C48 C47 C46 120.2(6) . . ?
C48 C47 C50 123.0(6) . . ?
C47 C48 H48 120.4 . . ?
C49 C48 C47 119.3(6) . . ?
C49 C48 H48 120.4 . . ?
C44 C49 H49 119.0 . . ?
C48 C49 C44 122.1(6) . . ?
C48 C49 H49 118.9 . . ?
N8 C50 C47 174.6(7) . . ?
O7S C5S H5SA 109.5 . . ?
O7S C5S H5SB 109.5 . . ?
O7S C5S H5SC 109.5 . . ?
H5SA C5S H5SB 109.5 . . ?
H5SA C5S H5SC 109.5 . . ?
H5SB C5S H5SC 109.5 . . ?
O1 B1 O4 112.1(5) . . ?
O1 B1 C37 106.4(5) . . ?
O4 B1 C37 107.2(6) . . ?
O7 B1 O1 113.3(6) . . ?
O7 B1 O4 111.7(6) . . ?
O7 B1 C37 105.6(5) . . ?
O3 B2 O6 112.1(5) . . ?
O3 B2 O9 113.9(5) . . ?
O3 B2 C44 105.5(5) . . ?
O6 B2 C44 108.8(5) . . ?
O9 B2 O6 111.2(6) . . ?
O9 B2 C44 104.7(5) . . ?
C1S O1S H1S 109.5 . . ?
O1S C1S H1SA 109.6 . . ?
O1S C1S H1SB 109.6 . . ?
O1S C1S H1SC 109.6 . . ?
H1SA C1S H1SB 109.4 . . ?
H1SA C1S H1SC 109.4 . . ?
H1SB C1S H1SC 109.4 . . ?
O2SB O3SB N1SB 149(4) 3_668 . ?
O2SB O3SB N1SB 75(3) 3_668 3_668 ?
N1SB O3SB N1SB 73.7(15) . 3_668 ?
O3SB O2SB N1SB 80(3) 3_668 . ?
O3SB O2SB N1SB 20(2) 3_668 3_668 ?
N1SB O2SB N1SB 60.0(14) . 3_668 ?
O3SB N1SB O3SB 106.3(15) . 3_668 ?
O3SB N1SB O2SB 10.8(12) . 3_668 ?
O3SB N1SB O2SB 130.7(18) . . ?
O3SB N1SB O2SB 95.5(13) 3_668 3_668 ?
O3SB N1SB N1SB 62.2(16) . 3_668 ?
O3SB N1SB N1SB 44.0(12) 3_668 3_668 ?
O3SB N1SB C0AA 123.5(17) 3_668 . ?
O3SB N1SB C0AA 130.0(17) . . ?
O2SB N1SB O3SB 24.5(8) . 3_668 ?
O2SB N1SB O2SB 120.0(14) . 3_668 ?
O2SB N1SB N1SB 68.5(15) . 3_668 ?
O2SB N1SB C0AA 99.0(16) . . ?
O2SB N1SB C0AA 140.8(15) 3_668 . ?
N1SB N1SB O2SB 51.5(15) 3_668 3_668 ?
N1SB N1SB C0AA 167(2) 3_668 . ?
O2SA N1SA C0AA 120.9(16) . . ?
O3SA N1SA O2SA 121(2) . . ?
O3SA N1SA C0AA 118.3(18) . . ?
H3SA C3S H3SB 109.5 . . ?
H3SA C3S H3SC 109.5 . . ?
H3SB C3S H3SC 109.5 . . ?
N2S C3S H3SA 109.6 . . ?
N2S C3S H3SB 109.4 . . ?
N2S C3S H3SC 109.4 . . ?
C4S O6S H6S 109.7 . . ?
O6S C4S H4SA 109.0 . . ?
O6S C4S H4SB 109.0 . . ?
O6S C4S H4SC 109.0 . . ?
H4SA C4S H4SB 109.0 . . ?
H4SA C4S H4SC 109.0 . . ?
H4SB C4S H4SC 110.0 . . ?
O2 Zn2 N4 133.50(17) . . ?
O2 Zn2 N6 138.96(17) . . ?
O2 Zn2 Zn1 45.03(10) . . ?
O5 Zn2 O2 76.55(15) . . ?
O5 Zn2 N4 82.36(17) . . ?
O5 Zn2 N6 131.74(17) . . ?
O5 Zn2 Zn1 45.57(10) . . ?
O8 Zn2 O2 76.67(14) . . ?
O8 Zn2 O5 76.27(15) . . ?
O8 Zn2 N4 137.02(19) . . ?
O8 Zn2 N6 82.40(17) . . ?
O8 Zn2 Zn1 46.31(11) . . ?
N2 Zn2 O2 82.40(16) . . ?
N2 Zn2 O5 138.08(17) . . ?
N2 Zn2 O8 133.07(17) . . ?
N2 Zn2 N4 86.7(2) . . ?
N2 Zn2 N6 86.91(18) . . ?
N2 Zn2 Zn1 127.38(13) . . ?
N4 Zn2 Zn1 127.84(14) . . ?
N6 Zn2 N4 84.85(18) . . ?
N6 Zn2 Zn1 128.62(13) . . ?
N7 Ag1 O1 112.47(18) . 3_567 ?
N7 Ag1 N8 154.1(2) . 1_554 ?
N8 Ag1 O1 92.74(17) 1_554 3_567 ?
O2 Zn1 O5 78.02(15) . . ?
O2 Zn1 O8 77.24(14) . . ?
O2 Zn1 N1 82.94(16) . . ?
O2 Zn1 N3 128.23(17) . . ?
O2 Zn1 N5 143.5(2) . . ?
O2 Zn1 Zn2 46.26(10) . . ?
O5 Zn1 O8 76.40(15) . . ?
O5 Zn1 N1 143.35(18) . . ?
O5 Zn1 N3 82.73(17) . . ?
O5 Zn1 N5 125.8(2) . . ?
O5 Zn1 Zn2 46.23(11) . . ?
O8 Zn1 Zn2 45.82(10) . . ?
N1 Zn1 O8 129.22(17) . . ?
N1 Zn1 N3 84.97(18) . . ?
N1 Zn1 Zn2 128.73(13) . . ?
N3 Zn1 O8 142.61(17) . . ?
N3 Zn1 Zn2 128.28(14) . . ?
N5 Zn1 O8 82.20(18) . . ?
N5 Zn1 N1 87.2(2) . . ?
N5 Zn1 N3 85.5(2) . . ?
N5 Zn1 Zn2 127.34(16) . . ?
N1SB C0AA H0AA 109.5 . . ?
N1SB C0AA H0AB 109.5 . . ?
N1SB C0AA H0AC 109.4 . . ?
N1SA C0AA H0AD 109.5 . . ?
N1SA C0AA H0AE 109.4 . . ?
N1SA C0AA H0AF 109.5 . . ?
H0AA C0AA H0AB 109.5 . . ?
H0AA C0AA H0AC 109.5 . . ?
H0AB C0AA H0AC 109.5 . . ?
H0AD C0AA H0AE 109.5 . . ?
H0AD C0AA H0AF 109.5 . . ?
H0AE C0AA H0AF 109.5 . . ?
O4S N2S C3S 126.8(19) . . ?
O4S N2S O5S 126(2) . . ?
O5S N2S C3S 105.3(18) . . ?
C33 C34A H34D 109.5 . . ?
C33 C34A H34E 109.4 . . ?
C33 C34A H34F 109.5 . . ?
H34D C34A H34E 109.5 . . ?
H34D C34A H34F 109.5 . . ?
H34E C34A H34F 109.5 . . ?
C33 C35A H35D 109.5 . . ?
C33 C35A H35E 109.4 . . ?
C33 C35A H35F 109.5 . . ?
H35D C35A H35E 109.5 . . ?
H35D C35A H35F 109.5 . . ?
H35E C35A H35F 109.5 . . ?
C33 C36A H36D 109.5 . . ?
C33 C36A H36E 109.5 . . ?
C33 C36A H36F 109.4 . . ?
H36D C36A H36E 109.5 . . ?
H36D C36A H36F 109.5 . . ?
H36E C36A H36F 109.5 . . ?
C6S O8S H8S 110.4 . . ?
O8S C6S H6SA 109.4 . . ?
O8S C6S H6SB 109.2 . . ?
O8S C6S H6SC 109.7 . . ?
H6SA C6S H6SB 109.5 . . ?
H6SA C6S H6SC 109.5 . . ?
H6SB C6S H6SC 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
O1 N1 C7 C2 173.8(5) . . . . ?
O2 C1 C2 C3 -178.8(5) . . . . ?
O2 C1 C2 C7 4.6(8) . . . . ?
O2 C1 C6 C5 179.1(5) . . . . ?
O2 C1 C6 C8 0.2(8) . . . . ?
O3 N2 C8 C6 177.5(5) . . . . ?
O4 N3 C19 C14 178.6(5) . . . . ?
O5 C13 C14 C15 -177.9(5) . . . . ?
O5 C13 C14 C19 1.6(8) . . . . ?
O5 C13 C18 C17 177.5(5) . . . . ?
O5 C13 C18 C20 -5.4(9) . . . . ?
O6 N4 C20 C18 -178.1(6) . . . . ?
O7 N5 C31 C26 178.4(6) . . . . ?
O8 C25 C26 C27 -179.0(5) . . . . ?
O8 C25 C26 C31 3.2(9) . . . . ?
O8 C25 C30 C29 178.9(5) . . . . ?
O8 C25 C30 C32 -2.4(8) . . . . ?
O9 N6 C32 C30 -178.7(5) . . . . ?
N1 O1 B1 O4 -55.4(7) . . . . ?
N1 O1 B1 O7 72.2(7) . . . . ?
N1 O1 B1 C37 -172.2(5) . . . . ?
N2 O3 B2 O6 71.5(7) . . . . ?
N2 O3 B2 O9 -55.9(7) . . . . ?
N2 O3 B2 C44 -170.2(5) . . . . ?
N3 O4 B1 O1 72.5(7) . . . . ?
N3 O4 B1 O7 -55.9(7) . . . . ?
N3 O4 B1 C37 -171.1(5) . . . . ?
N4 O6 B2 O3 -57.2(7) . . . . ?
N4 O6 B2 O9 71.6(7) . . . . ?
N4 O6 B2 C44 -173.5(5) . . . . ?
N5 O7 B1 O1 -56.0(8) . . . . ?
N5 O7 B1 O4 71.8(8) . . . . ?
N5 O7 B1 C37 -172.1(5) . . . . ?
N6 O9 B2 O3 67.7(7) . . . . ?
N6 O9 B2 O6 -60.1(6) . . . . ?
N6 O9 B2 C44 -177.5(5) . . . . ?
C1 C2 C3 C4 -1.3(9) . . . . ?
C1 C2 C7 N1 2.9(9) . . . . ?
C1 C6 C8 N2 -4.9(10) . . . . ?
C2 C1 C6 C5 -0.2(8) . . . . ?
C2 C1 C6 C8 -179.2(5) . . . . ?
C2 C3 C4 C5 1.6(9) . . . . ?
C2 C3 C4 C9 -178.3(6) . . . . ?
C3 C2 C7 N1 -173.8(6) . . . . ?
C3 C4 C5 C6 -1.2(10) . . . . ?
C3 C4 C9 C10 -5.5(11) . . . . ?
C3 C4 C9 C11 112.6(9) . . . . ?
C3 C4 C9 C12 -124.5(8) . . . . ?
C4 C5 C6 C1 0.6(9) . . . . ?
C4 C5 C6 C8 179.6(6) . . . . ?
C5 C4 C9 C10 174.7(8) . . . . ?
C5 C4 C9 C11 -67.3(10) . . . . ?
C5 C4 C9 C12 55.6(10) . . . . ?
C5 C6 C8 N2 176.1(6) . . . . ?
C6 C1 C2 C3 0.6(8) . . . . ?
C6 C1 C2 C7 -176.0(5) . . . . ?
C7 C2 C3 C4 175.5(6) . . . . ?
C9 C4 C5 C6 178.6(6) . . . . ?
C13 C14 C15 C16 0.0(9) . . . . ?
C13 C14 C19 N3 1.0(9) . . . . ?
C13 C18 C20 N4 -6.4(10) . . . . ?
C14 C13 C18 C17 -1.1(8) . . . . ?
C14 C13 C18 C20 176.0(5) . . . . ?
C14 C15 C16 C17 -0.4(9) . . . . ?
C14 C15 C16 C21 179.8(6) . . . . ?
C15 C14 C19 N3 -179.5(6) . . . . ?
C15 C16 C17 C18 -0.1(9) . . . . ?
C15 C16 C21 C22 -3.9(11) . . . . ?
C15 C16 C21 C23 114.0(9) . . . . ?
C15 C16 C21 C24 -123.0(9) . . . . ?
C16 C17 C18 C13 0.8(9) . . . . ?
C16 C17 C18 C20 -176.5(6) . . . . ?
C17 C16 C21 C22 176.3(7) . . . . ?
C17 C16 C21 C23 -65.8(10) . . . . ?
C17 C16 C21 C24 57.2(10) . . . . ?
C17 C18 C20 N4 170.8(6) . . . . ?
C18 C13 C14 C15 0.7(8) . . . . ?
C18 C13 C14 C19 -179.7(5) . . . . ?
C19 C14 C15 C16 -179.5(6) . . . . ?
C21 C16 C17 C18 179.7(6) . . . . ?
C25 C26 C27 C28 -0.6(9) . . . . ?
C25 C26 C31 N5 0.3(11) . . . . ?
C25 C30 C32 N6 -7.1(9) . . . . ?
C26 C25 C30 C29 -1.1(8) . . . . ?
C26 C25 C30 C32 177.5(5) . . . . ?
C26 C27 C28 C29 0.1(9) . . . . ?
C26 C27 C28 C33 -175.2(6) . . . . ?
C27 C26 C31 N5 -177.5(7) . . . . ?
C27 C28 C29 C30 -0.2(9) . . . . ?
C27 C28 C33 C34 -49.7(10) . . . . ?
C27 C28 C33 C35 99.0(11) . . . . ?
C27 C28 C33 C36 -146.4(13) . . . . ?
C27 C28 C33 C34A -19.2(14) . . . . ?
C27 C28 C33 C35A 61.0(11) . . . . ?
C27 C28 C33 C36A -173.6(9) . . . . ?
C28 C29 C30 C25 0.7(9) . . . . ?
C28 C29 C30 C32 -178.0(6) . . . . ?
C29 C28 C33 C34 135.2(9) . . . . ?
C29 C28 C33 C35 -76.0(11) . . . . ?
C29 C28 C33 C36 38.5(15) . . . . ?
C29 C28 C33 C34A 165.7(12) . . . . ?
C29 C28 C33 C35A -114.1(9) . . . . ?
C29 C28 C33 C36A 11.4(12) . . . . ?
C29 C30 C32 N6 171.6(6) . . . . ?
C30 C25 C26 C27 1.1(8) . . . . ?
C30 C25 C26 C31 -176.7(6) . . . . ?
C31 C26 C27 C28 177.4(6) . . . . ?
C33 C28 C29 C30 175.1(6) . . . . ?
C37 C38 C39 C40 -0.9(12) . . . . ?
C38 C37 C42 C41 -1.0(12) . . . . ?
C38 C37 B1 O1 37.9(9) . . . . ?
C38 C37 B1 O4 -82.2(8) . . . . ?
C38 C37 B1 O7 158.5(7) . . . . ?
C38 C39 C40 C41 0.7(12) . . . . ?
C38 C39 C40 C43 179.1(7) . . . . ?
C39 C40 C41 C42 -0.7(12) . . . . ?
C40 C41 C42 C37 0.9(13) . . . . ?
C42 C37 C38 C39 1.0(11) . . . . ?
C42 C37 B1 O1 -141.8(7) . . . . ?
C42 C37 B1 O4 98.1(8) . . . . ?
C42 C37 B1 O7 -21.1(9) . . . . ?
C43 C40 C41 C42 -179.1(7) . . . . ?
C44 C45 C46 C47 -0.2(10) . . . . ?
C45 C44 C49 C48 0.2(9) . . . . ?
C45 C44 B2 O3 28.7(7) . . . . ?
C45 C44 B2 O6 149.2(6) . . . . ?
C45 C44 B2 O9 -91.8(7) . . . . ?
C45 C46 C47 C48 0.4(10) . . . . ?
C45 C46 C47 C50 -177.7(6) . . . . ?
C46 C47 C48 C49 -0.3(10) . . . . ?
C47 C48 C49 C44 0.0(10) . . . . ?
C49 C44 C45 C46 -0.1(10) . . . . ?
C49 C44 B2 O3 -154.1(6) . . . . ?
C49 C44 B2 O6 -33.6(8) . . . . ?
C49 C44 B2 O9 85.5(7) . . . . ?
C50 C47 C48 C49 177.7(6) . . . . ?
B1 O1 N1 C7 167.8(5) . . . . ?
B1 O1 N1 Zn1 -14.7(6) . . . . ?
B1 O4 N3 C19 174.2(5) . . . . ?
B1 O4 N3 Zn1 -12.6(6) . . . . ?
B1 O7 N5 C31 174.5(6) . . . . ?
B1 O7 N5 Zn1 -11.9(8) . . . . ?
B1 C37 C38 C39 -178.7(7) . . . . ?
B1 C37 C42 C41 178.6(7) . . . . ?
B2 O3 N2 C8 168.2(5) . . . . ?
B2 O3 N2 Zn2 -11.3(6) . . . . ?
B2 O6 N4 C20 171.2(6) . . . . ?
B2 O6 N4 Zn2 -9.3(7) . . . . ?
B2 O9 N6 C32 169.6(5) . . . . ?
B2 O9 N6 Zn2 -9.1(6) . . . . ?
B2 C44 C45 C46 177.4(6) . . . . ?
B2 C44 C49 C48 -177.2(6) . . . . ?
O3SB O2SB N1SB O3SB 2(4) 3_668 . . . ?
O3SB O2SB N1SB O2SB 1(2) 3_668 . . 3_668 ?
O3SB O2SB N1SB N1SB 1(2) 3_668 . . 3_668 ?
O3SB O2SB N1SB C0AA 178(3) 3_668 . . . ?
O3SB N1SB C0AA N1SA 122(3) . . . . ?
O3SB N1SB C0AA N1SA -52(3) 3_668 . . . ?
O2SB O3SB N1SB O3SB -4(6) 3_668 . . 3_668 ?
O2SB O3SB N1SB O2SB -5(8) 3_668 . . . ?
O2SB O3SB N1SB N1SB -4(6) 3_668 . . 3_668 ?
O2SB O3SB N1SB C0AA -179(6) 3_668 . . . ?
O2SB N1SB C0AA N1SA 121(3) 3_668 . . . ?
O2SB N1SB C0AA N1SA -53(3) . . . . ?
N1SB O3SB N1SB O3SB 0.002(4) 3_668 . . 3_668 ?
N1SB O3SB N1SB O2SB 4(6) 3_668 . . 3_668 ?
N1SB O3SB N1SB O2SB -1.0(18) 3_668 . . . ?
N1SB O3SB N1SB C0AA -175(2) 3_668 . . . ?
N1SB O2SB N1SB O3SB 1.0(17) 3_668 . . . ?
N1SB O2SB N1SB O3SB -1(3) 3_668 . . 3_668 ?
N1SB O2SB N1SB O2SB -0.003(4) 3_668 . . 3_668 ?
N1SB O2SB N1SB C0AA 176.3(17) 3_668 . . . ?
N1SB N1SB C0AA N1SA -38(9) 3_668 . . . ?
O2SA N1SA C0AA N1SB 127(2) . . . . ?
O3SA N1SA C0AA N1SB -54(3) . . . . ?
Zn2 O2 C1 C2 -168.1(4) . . . . ?
Zn2 O2 C1 C6 12.6(7) . . . . ?
Zn2 O5 C13 C14 -159.6(4) . . . . ?
Zn2 O5 C13 C18 21.8(8) . . . . ?
Zn2 O8 C25 C26 -160.2(4) . . . . ?
Zn2 O8 C25 C30 19.7(8) . . . . ?
Zn2 N2 C8 C6 -3.0(9) . . . . ?
Zn2 N4 C20 C18 2.4(10) . . . . ?
Zn2 N6 C32 C30 -0.2(9) . . . . ?
Ag1 O1 N1 C7 -64.1(5) 3_567 . . . ?
Ag1 O1 N1 Zn1 113.4(3) 3_567 . . . ?
Ag1 O1 B1 O4 176.1(4) 3_567 . . . ?
Ag1 O1 B1 O7 -56.3(6) 3_567 . . . ?
Ag1 O1 B1 C37 59.3(6) 3_567 . . . ?
Zn1 O2 C1 C2 -12.4(8) . . . . ?
Zn1 O2 C1 C6 168.3(4) . . . . ?
Zn1 O5 C13 C14 -12.5(8) . . . . ?
Zn1 O5 C13 C18 169.0(4) . . . . ?
Zn1 O8 C25 C26 -13.6(8) . . . . ?
Zn1 O8 C25 C30 166.4(4) . . . . ?
Zn1 N1 C7 C2 -3.2(9) . . . . ?
Zn1 N3 C19 C14 6.6(9) . . . . ?
Zn1 N5 C31 C26 5.9(11) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_11
_database_code_depnum_ccdc_archive 'CCDC 1481127'
_audit_update_record             
;
2016-05-20 deposited with the CCDC.
2016-08-26 downloaded from the CCDC.
;
_audit_creation_date             2016-03-17
_audit_creation_method           
;
Olex2 1.2
(compiled 2016.02.19 svn.r3266 for OlexSys, GUI svn.r5155)
;
_shelxl_version_number           2014-3
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         
'C51 H51 Ag B2 Co2 N8 O10, 1.25(C H4 O), 1.5(C H3 N O2)'
_chemical_formula_sum            'C53.75 H60.50 Ag B2 Co2 N9.50 O14.25'
_chemical_formula_weight         1314.96
_chemical_melting_point          ?
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'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 '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'

_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           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
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                   12.3035(11)
_cell_length_b                   19.295(4)
_cell_length_c                   27.164(3)
_cell_angle_alpha                90
_cell_angle_beta                 97.324(7)
_cell_angle_gamma                90
_cell_volume                     6395.9(15)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    2135
_cell_measurement_temperature    100
_cell_measurement_theta_max      26.48
_cell_measurement_theta_min      3.15
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.882
_exptl_absorpt_correction_T_max  0.7460
_exptl_absorpt_correction_T_min  0.6410
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2008/1 (Bruker,2008) was used for absorption correction.
wR2(int) was 0.0628 before and 0.0542 after correction.
The Ratio of minimum to maximum transmission is 0.8592.
The λ/2 correction factor is 0.0015.
;
_exptl_crystal_colour            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.366
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             2698
_exptl_crystal_preparation       ?
_exptl_crystal_size_max          0.70
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0305
_diffrn_reflns_av_unetI/netI     0.0229
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       38
_diffrn_reflns_limit_l_min       -38
_diffrn_reflns_number            106504
_diffrn_reflns_point_group_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         30.000
_diffrn_reflns_theta_min         3.099
_diffrn_ambient_temperature      100
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                14988
_reflns_number_total             18526
_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_data_collection       'Bruker XSCANS'
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL (Sheldrick, 2015a)'
_computing_structure_solution    "SHELXT (Sheldrick, 2015b)'"
_refine_diff_density_max         3.108
_refine_diff_density_min         -2.109
_refine_diff_density_rms         0.119
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     815
_refine_ls_number_reflns         18526
_refine_ls_number_restraints     48
_refine_ls_R_factor_all          0.0827
_refine_ls_R_factor_gt           0.0646
_refine_ls_restrained_S_all      1.071
_refine_ls_shift/su_max          0.008
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0250P)²+33.2804P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1402
_refine_ls_wR_factor_ref         0.1523
_refine_special_details          
;
 ?
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All C(H,H,H,H,H,H) groups, All O(H) groups
2. Restrained distances
 O10-H10
 0.87 with sigma of 0.01
 O7S-C5S
 1.47 with sigma of 0.02
 O6S-C4S
 1.47 with sigma of 0.02
 C51-H10
 1.924044 with sigma of 0.02
 Ag1-H10
 3.227168 with sigma of 0.02
 O5S-N2S \\sim O4S-N2S
 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Uanis(O1S) \\sim Ueq, Uanis(C1S) \\sim Ueq: with sigma of 0.004 and sigma for
terminal atoms of 0.004
Uanis(C35) \\sim Ueq, Uanis(C34) \\sim Ueq: with sigma of 0.008 and sigma for
terminal atoms of 0.008
Uanis(O4S) \\sim Ueq, Uanis(N2S) \\sim Ueq, Uanis(O5S) \\sim Ueq: with sigma of
0.005 and sigma for terminal atoms of 0.005
Uanis(O7S) = Uanis(C5S) = Uanis(O6S) = Uanis(C4S)
Uanis(O3SB) = Uanis(O2SB)
4. Others
 Fixed Sof: O1S(0.5) H1S(0.5) C1S(0.5) H1SA(0.5) H1SB(0.5) H1SC(0.5) H2SA(0.5)
 H2SB(0.5) H2SC(0.5) H2SD(0.5) H2SE(0.5) H2SF(0.5) O3SB(0.5) O2SB(0.5)
 N1SB(0.5) O2SA(0.5) N1SA(0.5) O3SA(0.5) O4S(0.5) C3S(0.5) H3SA(0.5) H3SB(0.5)
 H3SC(0.5) N2S(0.5) O5S(0.5) O6S(0.5) H6S(0.5) C5S(0.25) H5SA(0.25) H5SB(0.25)
 H5SC(0.25) O7S(0.25) H7S(0.25) C4S(0.5) H4SA(0.5) H4SB(0.5) H4SC(0.5)
5.a Riding coordinates:
 O7S(H7S)
5.b Me refined with riding coordinates:
 C2S(H2SA,H2SB,H2SC), C2S(H2SD,H2SE,H2SF)
5.c Aromatic/amide H refined with riding coordinates:
 C3(H3), C5(H5), C7(H7), C8(H8), C15(H15), C17(H17), C19(H19), C20(H20),
 C27(H27), C29(H29), C31(H31), C32(H32), C38(H38), C39(H39), C41(H41), C42(H42),
  C45(H45), C46(H46), C48(H48), C49(H49)
5.d Idealised Me refined as rotating group:
 C10(H10A,H10B,H10C), C11(H11A,H11B,H11C), C12(H12A,H12B,H12C), C22(H22A,H22B,
 H22C), C23(H23A,H23B,H23C), C24(H24A,H24B,H24C), C34(H34A,H34B,H34C), C35(H35A,
 H35B,H35C), C36(H36A,H36B,H36C), C51(H51A,H51B,H51C), C1S(H1SA,H1SB,H1SC),
 C3S(H3SA,H3SB,H3SC), C5S(H5SA,H5SB,H5SC), C4S(H4SA,H4SB,H4SC)
5.e Idealised tetrahedral OH refined as rotating group:
 O1S(H1S), O6S(H6S)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?

loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
-1.00 0.00 0.00 0.1590
-8.00 0.00 0.00 0.0000
0.00 0.00 0.00 0.0000
1.00 0.00 0.00 0.1060
3.00 0.00 0.00 0.0000
-5.00 -1.00 15.00 0.2880
3.00 -1.00 13.00 0.2340
0.00 1.00 -1.00 0.2190
0.00 -1.00 1.00 0.1700
0.00 -1.00 0.00 0.1840
0.00 -1.00 -1.00 0.2130
0.00 15.00 14.00 0.1410
-2.00 -5.00 4.00 0.1820
-1.00 2.00 2.00 0.1460
1.00 13.00 -2.00 0.1930

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 -0.00609(3) 0.57701(2) 1.83733(2) 0.04083(9) Uani 1 1 d D . . . .
Co1 Co -0.06375(3) 0.60891(2) 1.28066(2) 0.01907(9) Uani 1 1 d . . . . .
Co2 Co -0.05871(3) 0.61950(2) 1.38935(2) 0.01812(9) Uani 1 1 d . . . . .
O1 O -0.1048(2) 0.52987(13) 1.18381(9) 0.0299(5) Uani 1 1 d . . . . .
O2 O -0.13819(18) 0.55474(11) 1.33351(8) 0.0198(4) Uani 1 1 d . . . . .
O3 O -0.1356(2) 0.57702(15) 1.48519(9) 0.0333(6) Uani 1 1 d . . . . .
O4 O -0.1428(2) 0.65523(13) 1.17550(9) 0.0288(5) Uani 1 1 d . . . . .
O5 O -0.10199(19) 0.68711(12) 1.32884(9) 0.0230(5) Uani 1 1 d . . . . .
O6 O -0.0877(3) 0.70064(15) 1.48268(9) 0.0389(7) Uani 1 1 d . . . . .
O7 O 0.0479(2) 0.61398(17) 1.18832(10) 0.0375(6) Uani 1 1 d . . . . .
O8 O 0.05998(17) 0.60174(12) 1.34183(9) 0.0215(4) Uani 1 1 d . . . . .
O9 O 0.0586(2) 0.61314(14) 1.49420(9) 0.0286(5) Uani 1 1 d . . . . .
O10 O 0.1729(5) 0.6420(3) 1.8548(2) 0.0882(15) Uani 1 1 d D . . . .
H10 H 0.237(3) 0.6330(19) 1.872(3) 0.132 Uiso 1 1 d DR . . . .
N1 N -0.1275(2) 0.52909(14) 1.23375(10) 0.0232(5) Uani 1 1 d . . . . .
N2 N -0.1387(2) 0.55678(15) 1.43542(10) 0.0234(5) Uani 1 1 d . . . . .
N3 N -0.1409(2) 0.67512(15) 1.22567(10) 0.0237(5) Uani 1 1 d . . . . .
N4 N -0.1071(2) 0.70401(15) 1.43075(10) 0.0254(6) Uani 1 1 d . . . . .
N5 N 0.0693(3) 0.61160(17) 1.24021(11) 0.0281(6) Uani 1 1 d . . . . .
N6 N 0.0775(2) 0.61452(14) 1.44455(10) 0.0222(5) Uani 1 1 d . . . . .
N7 N -0.0469(4) 0.5673(2) 0.91185(13) 0.0443(9) Uani 1 1 d . . . . .
N8 N -0.0258(3) 0.61342(19) 1.76110(12) 0.0372(8) Uani 1 1 d . . . . .
C1 C -0.1877(2) 0.49495(16) 1.33383(12) 0.0195(6) Uani 1 1 d . . . . .
C2 C -0.2169(3) 0.45597(17) 1.28968(12) 0.0216(6) Uani 1 1 d . . . . .
C3 C -0.2720(3) 0.39193(18) 1.29109(13) 0.0277(7) Uani 1 1 d . . . . .
H3 H -0.2912 0.3674 1.2609 0.033 Uiso 1 1 calc R . . . .
C4 C -0.2991(3) 0.36337(19) 1.33480(14) 0.0300(7) Uani 1 1 d . . . . .
C5 C -0.2704(3) 0.40217(19) 1.37820(13) 0.0289(7) Uani 1 1 d . . . . .
H5 H -0.2886 0.3842 1.4087 0.035 Uiso 1 1 calc R . . . .
C6 C -0.2164(3) 0.46614(17) 1.37886(12) 0.0229(6) Uani 1 1 d . . . . .
C7 C -0.1861(3) 0.47628(17) 1.24176(12) 0.0236(6) Uani 1 1 d . . . . .
H7 H -0.2116 0.4480 1.2140 0.028 Uiso 1 1 calc R . . . .
C8 C -0.1931(3) 0.50040(19) 1.42679(12) 0.0259(7) Uani 1 1 d . . . . .
H8 H -0.2206 0.4791 1.4542 0.031 Uiso 1 1 calc R . . . .
C9 C -0.3556(4) 0.2925(2) 1.33701(17) 0.0409(10) Uani 1 1 d . . . . .
C10 C -0.3929(5) 0.2633(3) 1.2852(2) 0.0610(16) Uani 1 1 d . . . . .
H10A H -0.4314 0.2193 1.2882 0.091 Uiso 1 1 calc GR . . . .
H10B H -0.3288 0.2554 1.2679 0.091 Uiso 1 1 calc GR . . . .
H10C H -0.4422 0.2964 1.2663 0.091 Uiso 1 1 calc GR . . . .
C11 C -0.2739(6) 0.2415(3) 1.3646(3) 0.0684(17) Uani 1 1 d . . . . .
H11A H -0.3101 0.1968 1.3681 0.103 Uiso 1 1 calc GR . . . .
H11B H -0.2475 0.2600 1.3976 0.103 Uiso 1 1 calc GR . . . .
H11C H -0.2117 0.2350 1.3458 0.103 Uiso 1 1 calc GR . . . .
C12 C -0.4568(5) 0.2995(3) 1.3638(2) 0.0606(15) Uani 1 1 d . . . . .
H12A H -0.4933 0.2545 1.3644 0.091 Uiso 1 1 calc GR . . . .
H12B H -0.5073 0.3332 1.3463 0.091 Uiso 1 1 calc GR . . . .
H12C H -0.4346 0.3154 1.3979 0.091 Uiso 1 1 calc GR . . . .
C13 C -0.1642(2) 0.74231(16) 1.32307(12) 0.0206(6) Uani 1 1 d . . . . .
C14 C -0.2105(3) 0.76630(17) 1.27551(13) 0.0228(6) Uani 1 1 d . . . . .
C15 C -0.2746(3) 0.82721(18) 1.27090(14) 0.0263(7) Uani 1 1 d . . . . .
H15 H -0.3047 0.8419 1.2386 0.032 Uiso 1 1 calc R . . . .
C16 C -0.2956(3) 0.86656(18) 1.31128(15) 0.0292(7) Uani 1 1 d . . . . .
C17 C -0.2502(3) 0.84257(18) 1.35791(14) 0.0276(7) Uani 1 1 d . . . . .
H17 H -0.2627 0.8686 1.3864 0.033 Uiso 1 1 calc R . . . .
C18 C -0.1869(3) 0.78190(16) 1.36486(13) 0.0224(6) Uani 1 1 d . . . . .
C19 C -0.1945(3) 0.73179(18) 1.22937(13) 0.0255(6) Uani 1 1 d . . . . .
H19 H -0.2265 0.7529 1.1994 0.031 Uiso 1 1 calc R . . . .
C20 C -0.1521(3) 0.76175(18) 1.41619(13) 0.0260(7) Uani 1 1 d . . . . .
H20 H -0.1637 0.7944 1.4412 0.031 Uiso 1 1 calc R . . . .
C21 C -0.3656(4) 0.9329(2) 1.30704(18) 0.0402(9) Uani 1 1 d . . . . .
C22 C -0.4016(5) 0.9540(3) 1.2526(2) 0.0642(16) Uani 1 1 d . . . . .
H22A H -0.4466 0.9171 1.2357 0.096 Uiso 1 1 calc GR . . . .
H22B H -0.3367 0.9615 1.2358 0.096 Uiso 1 1 calc GR . . . .
H22C H -0.4445 0.9969 1.2518 0.096 Uiso 1 1 calc GR . . . .
C23 C -0.4696(4) 0.9207(3) 1.3318(2) 0.0600(14) Uani 1 1 d . . . . .
H23A H -0.5131 0.8836 1.3143 0.090 Uiso 1 1 calc GR . . . .
H23B H -0.5130 0.9634 1.3303 0.090 Uiso 1 1 calc GR . . . .
H23C H -0.4489 0.9074 1.3666 0.090 Uiso 1 1 calc GR . . . .
C24 C -0.2981(5) 0.9938(2) 1.3325(3) 0.0610(15) Uani 1 1 d . . . . .
H24A H -0.2761 0.9826 1.3675 0.092 Uiso 1 1 calc GR . . . .
H24B H -0.3429 1.0359 1.3300 0.092 Uiso 1 1 calc GR . . . .
H24C H -0.2327 1.0012 1.3161 0.092 Uiso 1 1 calc GR . . . .
C25 C 0.1668(2) 0.61003(16) 1.34736(13) 0.0207(6) Uani 1 1 d . . . . .
C26 C 0.2250(3) 0.61538(17) 1.30542(13) 0.0235(6) Uani 1 1 d . . . . .
C27 C 0.3394(3) 0.62399(18) 1.31253(14) 0.0273(7) Uani 1 1 d . . . . .
H27 H 0.3767 0.6271 1.2841 0.033 Uiso 1 1 calc R . . . .
C28 C 0.4006(3) 0.62820(18) 1.35904(15) 0.0284(7) Uani 1 1 d . . . . .
C29 C 0.3434(3) 0.62257(18) 1.39969(14) 0.0273(7) Uani 1 1 d . . . . .
H29 H 0.3831 0.6247 1.4320 0.033 Uiso 1 1 calc R . . . .
C30 C 0.2290(3) 0.61378(17) 1.39501(13) 0.0227(6) Uani 1 1 d . . . . .
C31 C 0.1726(3) 0.61513(19) 1.25469(14) 0.0286(7) Uani 1 1 d . . . . .
H31 H 0.2194 0.6178 1.2295 0.034 Uiso 1 1 calc R . . . .
C32 C 0.1800(3) 0.61214(18) 1.44078(13) 0.0257(7) Uani 1 1 d . . . . .
H32 H 0.2286 0.6090 1.4708 0.031 Uiso 1 1 calc R . . . .
C33 C 0.5234(3) 0.6446(2) 1.36502(19) 0.0421(10) Uani 1 1 d . . . . .
C34 C 0.5806(4) 0.6060(5) 1.3264(3) 0.085(2) Uani 1 1 d . U . . .
H34A H 0.5702 0.5560 1.3300 0.128 Uiso 1 1 calc GR . . . .
H34B H 0.6591 0.6167 1.3314 0.128 Uiso 1 1 calc GR . . . .
H34C H 0.5492 0.6205 1.2930 0.128 Uiso 1 1 calc GR . . . .
C35 C 0.5332(5) 0.7230(4) 1.3536(3) 0.090(2) Uani 1 1 d . U . . .
H35A H 0.6088 0.7338 1.3485 0.135 Uiso 1 1 calc GR . . . .
H35B H 0.5131 0.7502 1.3815 0.135 Uiso 1 1 calc GR . . . .
H35C H 0.4838 0.7346 1.3235 0.135 Uiso 1 1 calc GR . . . .
C36 C 0.5819(4) 0.6286(4) 1.4159(2) 0.0697(18) Uani 1 1 d . . . . .
H36A H 0.5739 0.5792 1.4231 0.105 Uiso 1 1 calc GR . . . .
H36B H 0.5501 0.6563 1.4407 0.105 Uiso 1 1 calc GR . . . .
H36C H 0.6599 0.6399 1.4170 0.105 Uiso 1 1 calc GR . . . .
C37 C -0.0652(3) 0.59132(19) 1.10757(13) 0.0303(7) Uani 1 1 d . . . . .
C38 C -0.1502(4) 0.5591(3) 1.07717(14) 0.0410(10) Uani 1 1 d . . . . .
H38 H -0.2107 0.5414 1.0917 0.049 Uiso 1 1 calc R . . . .
C39 C -0.1491(4) 0.5522(3) 1.02634(15) 0.0451(11) Uani 1 1 d . . . . .
H39 H -0.2076 0.5297 1.0063 0.054 Uiso 1 1 calc R . . . .
C40 C -0.0604(4) 0.5788(2) 1.00532(14) 0.0387(10) Uani 1 1 d . . . . .
C41 C 0.0246(5) 0.6112(2) 1.03431(16) 0.0493(12) Uani 1 1 d . . . . .
H41 H 0.0844 0.6297 1.0196 0.059 Uiso 1 1 calc R . . . .
C42 C 0.0226(4) 0.6168(2) 1.08532(15) 0.0440(11) Uani 1 1 d . . . . .
H42 H 0.0822 0.6384 1.1053 0.053 Uiso 1 1 calc R . . . .
C43 C -0.0548(4) 0.5710(2) 0.95254(15) 0.0418(10) Uani 1 1 d . . . . .
C44 C -0.0513(3) 0.63278(18) 1.56252(12) 0.0247(6) Uani 1 1 d . . . . .
C45 C -0.0665(3) 0.57080(19) 1.58765(14) 0.0305(7) Uani 1 1 d . . . . .
H45 H -0.0812 0.5294 1.5690 0.037 Uiso 1 1 calc R . . . .
C46 C -0.0608(3) 0.56821(19) 1.63878(14) 0.0312(7) Uani 1 1 d . . . . .
H46 H -0.0720 0.5257 1.6550 0.037 Uiso 1 1 calc R . . . .
C47 C -0.0381(3) 0.62908(19) 1.66646(13) 0.0278(7) Uani 1 1 d . . . . .
C48 C -0.0225(3) 0.69191(19) 1.64275(13) 0.0312(8) Uani 1 1 d . . . . .
H48 H -0.0079 0.7332 1.6615 0.037 Uiso 1 1 calc R . . . .
C49 C -0.0289(3) 0.69296(19) 1.59134(13) 0.0310(8) Uani 1 1 d . . . . .
H49 H -0.0177 0.7355 1.5751 0.037 Uiso 1 1 calc R . . . .
C50 C -0.0301(3) 0.62299(19) 1.71950(14) 0.0307(7) Uani 1 1 d . . . . .
C51 C 0.1688(8) 0.7123(3) 1.8389(3) 0.097(3) Uani 1 1 d D . . . .
H51A H 0.2380 0.7353 1.8512 0.146 Uiso 1 1 calc GR . . . .
H51B H 0.1082 0.7360 1.8521 0.146 Uiso 1 1 calc GR . . . .
H51C H 0.1573 0.7141 1.8026 0.146 Uiso 1 1 calc GR . . . .
B1 B -0.0659(4) 0.5979(2) 1.16708(14) 0.0277(8) Uani 1 1 d . . . . .
B2 B -0.0546(3) 0.6310(2) 1.50302(14) 0.0234(7) Uani 1 1 d . . . . .
O1S O -0.3635(5) 0.6421(4) 1.1398(3) 0.0471(15) Uani 0.5 1 d . U P . .
H1S H -0.2977 0.6540 1.1470 0.071 Uiso 0.5 1 calc GR . P . .
C1S C -0.4004(8) 0.6114(5) 1.1812(4) 0.051(2) Uani 0.5 1 d . U P . .
H1SA H -0.4802 0.6061 1.1753 0.076 Uiso 0.5 1 calc GR . P . .
H1SB H -0.3807 0.6408 1.2104 0.076 Uiso 0.5 1 calc GR . P . .
H1SC H -0.3662 0.5657 1.1870 0.076 Uiso 0.5 1 calc GR . P . .
C2S C 0.3537(5) 0.4317(4) 1.4417(3) 0.082(2) Uani 1 1 d . . . . .
H2SA H 0.3888 0.3926 1.4269 0.122 Uiso 0.5 1 calc R . P A 1
H2SB H 0.2965 0.4142 1.4605 0.122 Uiso 0.5 1 calc R . P A 1
H2SC H 0.3209 0.4627 1.4154 0.122 Uiso 0.5 1 calc R . P A 1
H2SD H 0.3540 0.3944 1.4663 0.122 Uiso 0.5 1 calc R . P B 2
H2SE H 0.4270 0.4522 1.4438 0.122 Uiso 0.5 1 calc R . P B 2
H2SF H 0.3008 0.4673 1.4484 0.122 Uiso 0.5 1 calc R . P B 2
O3SB O 0.4241(11) 0.5264(7) 1.5031(4) 0.078(3) Uani 0.5 1 d . . P C 1
O2SB O 0.5422(11) 0.4500(7) 1.4759(4) 0.078(3) Uani 0.5 1 d . . P C 1
N1SB N 0.4466(8) 0.4746(6) 1.4795(4) 0.065(3) Uani 0.5 1 d . . P C 1
O2SA O 0.2941(7) 0.3352(6) 1.3746(4) 0.090(3) Uani 0.5 1 d . . P C 2
N1SA N 0.3157(8) 0.3969(6) 1.3804(4) 0.065(3) Uani 0.5 1 d . . P C 2
O3SA O 0.3113(13) 0.4358(8) 1.3457(5) 0.131(5) Uani 0.5 1 d . . P C 2
O4S O -0.3632(6) 0.8388(5) 1.4760(3) 0.065(2) Uani 0.5 1 d D U P . .
C3S C -0.2879(9) 0.7695(5) 1.5402(4) 0.053(3) Uani 0.5 1 d . . P . .
H3SA H -0.2455 0.7361 1.5232 0.079 Uiso 0.5 1 calc GR . P . .
H3SB H -0.3153 0.7468 1.5684 0.079 Uiso 0.5 1 calc GR . P . .
H3SC H -0.2408 0.8085 1.5521 0.079 Uiso 0.5 1 calc GR . P . .
N2S N -0.3783(8) 0.7941(5) 1.5064(4) 0.065(2) Uani 0.5 1 d D U P . .
O5S O -0.4635(10) 0.7568(7) 1.5113(5) 0.107(4) Uani 0.5 1 d D U P . .
O6S O 0.2301(10) 0.8572(5) 1.4560(3) 0.084(2) Uani 0.5 1 d D . P . .
H6S H 0.2541 0.8863 1.4778 0.125 Uiso 0.5 1 calc GR . P . .
C5S C 0.540(2) 0.9351(15) 1.5576(10) 0.084(2) Uani 0.25 1 d D . P . .
H5SA H 0.5655 0.8989 1.5366 0.125 Uiso 0.25 1 calc GR . P . .
H5SB H 0.5621 0.9236 1.5926 0.125 Uiso 0.25 1 calc GR . P . .
H5SC H 0.5719 0.9797 1.5500 0.125 Uiso 0.25 1 calc GR . P . .
O7S O 0.4188(17) 0.9397(10) 1.5481(6) 0.084(2) Uani 0.25 1 d D . P . .
H7S H 0.3964 0.9351 1.5178 0.125 Uiso 0.25 1 d R . P . .
C4S C 0.2458(14) 0.7860(6) 1.4768(5) 0.084(2) Uani 0.5 1 d D . P . .
H4SA H 0.2937 0.7597 1.4575 0.125 Uiso 0.5 1 calc GR . P . .
H4SB H 0.1747 0.7627 1.4752 0.125 Uiso 0.5 1 calc GR . P . .
H4SC H 0.2795 0.7887 1.5114 0.125 Uiso 0.5 1 calc GR . 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
Ag1 O1 2.577(3) 3_568 ?
Ag1 O10 2.526(5) . ?
Ag1 N7 2.155(3) 1_556 ?
Ag1 N8 2.171(3) . ?
Co1 Co2 2.9521(7) . ?
Co1 O2 2.080(2) . ?
Co1 O5 2.090(2) . ?
Co1 O8 2.110(2) . ?
Co1 N1 2.087(3) . ?
Co1 N3 2.098(3) . ?
Co1 N5 2.086(3) . ?
Co2 O2 2.107(2) . ?
Co2 O5 2.113(2) . ?
Co2 O8 2.097(2) . ?
Co2 N2 2.077(3) . ?
Co2 N4 2.109(3) . ?
Co2 N6 2.103(3) . ?
O1 Ag1 2.577(3) 3_568 ?
O1 N1 1.420(3) . ?
O1 B1 1.488(5) . ?
O2 C1 1.305(4) . ?
O3 N2 1.403(3) . ?
O3 B2 1.480(5) . ?
O4 N3 1.413(4) . ?
O4 B1 1.492(5) . ?
O5 C13 1.309(4) . ?
O6 N4 1.402(4) . ?
O6 B2 1.489(5) . ?
O7 N5 1.401(4) . ?
O7 B1 1.477(5) . ?
O8 C25 1.313(4) . ?
O9 N6 1.398(4) . ?
O9 B2 1.483(4) . ?
O10 H10 0.877(9) . ?
O10 C51 1.423(8) . ?
N1 C7 1.283(4) . ?
N2 C8 1.283(4) . ?
N3 C19 1.288(4) . ?
N4 C20 1.283(4) . ?
N5 C31 1.283(5) . ?
N6 C32 1.279(4) . ?
N7 Ag1 2.155(3) 1_554 ?
N7 C43 1.124(5) . ?
N8 C50 1.139(5) . ?
C1 C2 1.422(4) . ?
C1 C6 1.428(4) . ?
C2 C3 1.412(5) . ?
C2 C7 1.455(4) . ?
C3 H3 0.9500 . ?
C3 C4 1.388(5) . ?
C4 C5 1.403(5) . ?
C4 C9 1.538(5) . ?
C5 H5 0.9500 . ?
C5 C6 1.401(5) . ?
C6 C8 1.456(4) . ?
C7 H7 0.9500 . ?
C8 H8 0.9500 . ?
C9 C10 1.531(6) . ?
C9 C11 1.534(8) . ?
C9 C12 1.526(7) . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
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 C14 1.421(5) . ?
C13 C18 1.425(4) . ?
C14 C15 1.412(5) . ?
C14 C19 1.454(5) . ?
C15 H15 0.9500 . ?
C15 C16 1.385(5) . ?
C16 C17 1.397(5) . ?
C16 C21 1.539(5) . ?
C17 H17 0.9500 . ?
C17 C18 1.405(4) . ?
C18 C20 1.458(5) . ?
C19 H19 0.9500 . ?
C20 H20 0.9500 . ?
C21 C22 1.544(7) . ?
C21 C23 1.538(7) . ?
C21 C24 1.549(7) . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
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 C26 1.425(4) . ?
C25 C30 1.419(5) . ?
C26 C27 1.406(5) . ?
C26 C31 1.445(5) . ?
C27 H27 0.9500 . ?
C27 C28 1.388(5) . ?
C28 C29 1.387(5) . ?
C28 C33 1.531(5) . ?
C29 H29 0.9500 . ?
C29 C30 1.407(4) . ?
C30 C32 1.450(5) . ?
C31 H31 0.9500 . ?
C32 H32 0.9500 . ?
C33 C34 1.530(8) . ?
C33 C35 1.553(8) . ?
C33 C36 1.507(7) . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
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 C38 1.393(6) . ?
C37 C42 1.393(6) . ?
C37 B1 1.623(5) . ?
C38 H38 0.9500 . ?
C38 C39 1.389(5) . ?
C39 H39 0.9500 . ?
C39 C40 1.393(7) . ?
C40 C41 1.377(7) . ?
C40 C43 1.452(5) . ?
C41 H41 0.9500 . ?
C41 C42 1.393(6) . ?
C42 H42 0.9500 . ?
C44 C45 1.401(5) . ?
C44 C49 1.408(5) . ?
C44 B2 1.612(5) . ?
C45 H45 0.9500 . ?
C45 C46 1.382(5) . ?
C46 H46 0.9500 . ?
C46 C47 1.403(5) . ?
C47 C48 1.397(5) . ?
C47 C50 1.436(5) . ?
C48 H48 0.9500 . ?
C48 C49 1.389(5) . ?
C49 H49 0.9500 . ?
C51 H51A 0.9800 . ?
C51 H51B 0.9800 . ?
C51 H51C 0.9800 . ?
O1S H1S 0.8400 . ?
O1S C1S 1.397(13) . ?
C1S H1SA 0.9800 . ?
C1S H1SB 0.9800 . ?
C1S H1SC 0.9800 . ?
C2S H2SA 0.9800 . ?
C2S H2SB 0.9800 . ?
C2S H2SC 0.9800 . ?
C2S H2SD 0.9800 . ?
C2S H2SE 0.9800 . ?
C2S H2SF 0.9800 . ?
C2S N1SB 1.658(13) . ?
C2S N1SA 1.801(14) . ?
O3SB O2SB 0.803(15) 3_668 ?
O3SB N1SB 1.601(16) 3_668 ?
O3SB N1SB 1.236(17) . ?
O2SB O3SB 0.803(15) 3_668 ?
O2SB N1SB 1.285(18) . ?
N1SB O3SB 1.601(16) 3_668 ?
N1SB N1SB 1.88(2) 3_668 ?
O2SA N1SA 1.224(14) . ?
N1SA O3SA 1.201(15) . ?
O4S N2S 1.225(11) . ?
C3S H3SA 0.9800 . ?
C3S H3SB 0.9800 . ?
C3S H3SC 0.9800 . ?
C3S N2S 1.430(16) . ?
N2S O5S 1.293(12) . ?
O6S H6S 0.8400 . ?
O6S C4S 1.488(13) . ?
C5S H5SA 0.9800 . ?
C5S H5SB 0.9800 . ?
C5S H5SC 0.9800 . ?
C5S O7S 1.481(18) . ?
O7S H7S 0.8403 . ?
C4S H4SA 0.9800 . ?
C4S H4SB 0.9800 . ?
C4S H4SC 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
O10 Ag1 O1 88.01(15) . 3_568 ?
N7 Ag1 O1 109.43(11) 1_556 3_568 ?
N7 Ag1 O10 99.73(18) 1_556 . ?
N7 Ag1 N8 155.96(13) 1_556 . ?
N8 Ag1 O1 92.54(10) . 3_568 ?
N8 Ag1 O10 90.40(16) . . ?
O2 Co1 Co2 45.54(6) . . ?
O2 Co1 O5 77.09(9) . . ?
O2 Co1 O8 76.15(9) . . ?
O2 Co1 N1 83.48(10) . . ?
O2 Co1 N3 126.74(10) . . ?
O2 Co1 N5 145.12(11) . . ?
O5 Co1 Co2 45.69(6) . . ?
O5 Co1 O8 75.62(9) . . ?
O5 Co1 N3 83.61(10) . . ?
O8 Co1 Co2 45.25(6) . . ?
N1 Co1 Co2 128.32(8) . . ?
N1 Co1 O5 144.89(11) . . ?
N1 Co1 O8 127.55(10) . . ?
N1 Co1 N3 85.06(11) . . ?
N3 Co1 Co2 128.30(8) . . ?
N3 Co1 O8 144.69(11) . . ?
N5 Co1 Co2 127.40(9) . . ?
N5 Co1 O5 124.51(11) . . ?
N5 Co1 O8 83.13(11) . . ?
N5 Co1 N1 87.46(12) . . ?
N5 Co1 N3 85.64(12) . . ?
O2 Co2 Co1 44.80(6) . . ?
O2 Co2 O5 76.02(9) . . ?
O2 Co2 N4 134.87(10) . . ?
O5 Co2 Co1 45.06(6) . . ?
O8 Co2 Co1 45.62(6) . . ?
O8 Co2 O2 75.86(9) . . ?
O8 Co2 O5 75.42(9) . . ?
O8 Co2 N4 136.12(11) . . ?
O8 Co2 N6 82.96(10) . . ?
N2 Co2 Co1 127.68(8) . . ?
N2 Co2 O2 82.89(10) . . ?
N2 Co2 O5 137.47(11) . . ?
N2 Co2 O8 134.14(10) . . ?
N2 Co2 N4 86.64(12) . . ?
N2 Co2 N6 86.52(11) . . ?
N4 Co2 Co1 127.98(8) . . ?
N4 Co2 O5 82.94(10) . . ?
N6 Co2 Co1 128.54(8) . . ?
N6 Co2 O2 137.77(10) . . ?
N6 Co2 O5 132.97(10) . . ?
N6 Co2 N4 84.76(11) . . ?
N1 O1 Ag1 112.24(17) . 3_568 ?
N1 O1 B1 114.3(3) . . ?
B1 O1 Ag1 116.0(2) . 3_568 ?
Co1 O2 Co2 89.66(9) . . ?
C1 O2 Co1 134.1(2) . . ?
C1 O2 Co2 133.9(2) . . ?
N2 O3 B2 116.5(3) . . ?
N3 O4 B1 114.6(3) . . ?
Co1 O5 Co2 89.25(9) . . ?
C13 O5 Co1 133.4(2) . . ?
C13 O5 Co2 132.9(2) . . ?
N4 O6 B2 114.8(2) . . ?
N5 O7 B1 115.7(3) . . ?
Co2 O8 Co1 89.13(8) . . ?
C25 O8 Co1 133.9(2) . . ?
C25 O8 Co2 132.4(2) . . ?
N6 O9 B2 115.2(2) . . ?
Ag1 O10 H10 134.6(17) . . ?
C51 O10 Ag1 114.8(5) . . ?
C51 O10 H10 110.0(16) . . ?
O1 N1 Co1 118.1(2) . . ?
C7 N1 Co1 131.2(2) . . ?
C7 N1 O1 110.7(3) . . ?
O3 N2 Co2 117.5(2) . . ?
C8 N2 Co2 131.3(2) . . ?
C8 N2 O3 111.2(3) . . ?
O4 N3 Co1 118.1(2) . . ?
C19 N3 Co1 130.6(2) . . ?
C19 N3 O4 111.1(3) . . ?
O6 N4 Co2 118.5(2) . . ?
C20 N4 Co2 130.3(2) . . ?
C20 N4 O6 111.2(3) . . ?
O7 N5 Co1 118.1(2) . . ?
C31 N5 Co1 130.8(3) . . ?
C31 N5 O7 111.0(3) . . ?
O9 N6 Co2 118.27(19) . . ?
C32 N6 Co2 130.4(2) . . ?
C32 N6 O9 111.3(3) . . ?
C43 N7 Ag1 167.9(5) . 1_554 ?
C50 N8 Ag1 169.7(3) . . ?
O2 C1 C2 122.0(3) . . ?
O2 C1 C6 121.1(3) . . ?
C2 C1 C6 116.9(3) . . ?
C1 C2 C7 123.1(3) . . ?
C3 C2 C1 120.7(3) . . ?
C3 C2 C7 116.1(3) . . ?
C2 C3 H3 118.7 . . ?
C4 C3 C2 122.6(3) . . ?
C4 C3 H3 118.7 . . ?
C3 C4 C5 116.4(3) . . ?
C3 C4 C9 123.1(3) . . ?
C5 C4 C9 120.5(3) . . ?
C4 C5 H5 118.3 . . ?
C6 C5 C4 123.3(3) . . ?
C6 C5 H5 118.3 . . ?
C1 C6 C8 123.2(3) . . ?
C5 C6 C1 120.0(3) . . ?
C5 C6 C8 116.8(3) . . ?
N1 C7 C2 125.6(3) . . ?
N1 C7 H7 117.2 . . ?
C2 C7 H7 117.2 . . ?
N2 C8 C6 126.0(3) . . ?
N2 C8 H8 117.0 . . ?
C6 C8 H8 117.0 . . ?
C10 C9 C4 112.0(4) . . ?
C10 C9 C11 108.3(4) . . ?
C11 C9 C4 108.5(4) . . ?
C12 C9 C4 109.9(4) . . ?
C12 C9 C10 107.8(4) . . ?
C12 C9 C11 110.3(5) . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C9 C11 H11A 109.5 . . ?
C9 C11 H11B 109.5 . . ?
C9 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C9 C12 H12A 109.5 . . ?
C9 C12 H12B 109.5 . . ?
C9 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
O5 C13 C14 122.3(3) . . ?
O5 C13 C18 120.8(3) . . ?
C14 C13 C18 116.9(3) . . ?
C13 C14 C19 123.5(3) . . ?
C15 C14 C13 120.4(3) . . ?
C15 C14 C19 116.1(3) . . ?
C14 C15 H15 118.5 . . ?
C16 C15 C14 123.0(3) . . ?
C16 C15 H15 118.5 . . ?
C15 C16 C17 116.3(3) . . ?
C15 C16 C21 123.8(4) . . ?
C17 C16 C21 119.9(3) . . ?
C16 C17 H17 118.4 . . ?
C16 C17 C18 123.3(3) . . ?
C18 C17 H17 118.4 . . ?
C13 C18 C20 123.7(3) . . ?
C17 C18 C13 120.1(3) . . ?
C17 C18 C20 116.2(3) . . ?
N3 C19 C14 125.6(3) . . ?
N3 C19 H19 117.2 . . ?
C14 C19 H19 117.2 . . ?
N4 C20 C18 126.1(3) . . ?
N4 C20 H20 117.0 . . ?
C18 C20 H20 117.0 . . ?
C16 C21 C22 112.4(4) . . ?
C16 C21 C24 109.5(4) . . ?
C22 C21 C24 107.4(4) . . ?
C23 C21 C16 109.2(4) . . ?
C23 C21 C22 107.8(4) . . ?
C23 C21 C24 110.4(4) . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
C21 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C21 C23 H23A 109.5 . . ?
C21 C23 H23B 109.5 . . ?
C21 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C21 C24 H24A 109.5 . . ?
C21 C24 H24B 109.5 . . ?
C21 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
O8 C25 C26 121.0(3) . . ?
O8 C25 C30 121.8(3) . . ?
C30 C25 C26 117.2(3) . . ?
C25 C26 C31 123.6(3) . . ?
C27 C26 C25 119.7(3) . . ?
C27 C26 C31 116.7(3) . . ?
C26 C27 H27 118.3 . . ?
C28 C27 C26 123.3(3) . . ?
C28 C27 H27 118.3 . . ?
C27 C28 C33 121.5(3) . . ?
C29 C28 C27 116.6(3) . . ?
C29 C28 C33 121.7(4) . . ?
C28 C29 H29 118.6 . . ?
C28 C29 C30 122.7(3) . . ?
C30 C29 H29 118.6 . . ?
C25 C30 C32 123.1(3) . . ?
C29 C30 C25 120.4(3) . . ?
C29 C30 C32 116.5(3) . . ?
N5 C31 C26 126.6(3) . . ?
N5 C31 H31 116.7 . . ?
C26 C31 H31 116.7 . . ?
N6 C32 C30 126.2(3) . . ?
N6 C32 H32 116.9 . . ?
C30 C32 H32 116.9 . . ?
C28 C33 C35 106.3(4) . . ?
C34 C33 C28 111.1(4) . . ?
C34 C33 C35 106.4(6) . . ?
C36 C33 C28 113.9(4) . . ?
C36 C33 C34 108.8(5) . . ?
C36 C33 C35 110.1(5) . . ?
C33 C34 H34A 109.5 . . ?
C33 C34 H34B 109.5 . . ?
C33 C34 H34C 109.5 . . ?
H34A C34 H34B 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C33 C35 H35A 109.5 . . ?
C33 C35 H35B 109.5 . . ?
C33 C35 H35C 109.5 . . ?
H35A C35 H35B 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C33 C36 H36A 109.5 . . ?
C33 C36 H36B 109.5 . . ?
C33 C36 H36C 109.5 . . ?
H36A C36 H36B 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C38 C37 B1 121.7(4) . . ?
C42 C37 C38 117.7(4) . . ?
C42 C37 B1 120.5(4) . . ?
C37 C38 H38 119.0 . . ?
C39 C38 C37 122.0(4) . . ?
C39 C38 H38 119.0 . . ?
C38 C39 H39 120.7 . . ?
C38 C39 C40 118.6(4) . . ?
C40 C39 H39 120.7 . . ?
C39 C40 C43 120.3(4) . . ?
C41 C40 C39 120.7(4) . . ?
C41 C40 C43 118.9(4) . . ?
C40 C41 H41 120.1 . . ?
C40 C41 C42 119.7(4) . . ?
C42 C41 H41 120.1 . . ?
C37 C42 C41 121.1(4) . . ?
C37 C42 H42 119.4 . . ?
C41 C42 H42 119.4 . . ?
N7 C43 C40 176.8(6) . . ?
C45 C44 C49 117.5(3) . . ?
C45 C44 B2 118.9(3) . . ?
C49 C44 B2 123.6(3) . . ?
C44 C45 H45 119.1 . . ?
C46 C45 C44 121.8(3) . . ?
C46 C45 H45 119.1 . . ?
C45 C46 H46 120.3 . . ?
C45 C46 C47 119.3(3) . . ?
C47 C46 H46 120.3 . . ?
C46 C47 C50 116.9(3) . . ?
C48 C47 C46 120.6(3) . . ?
C48 C47 C50 122.5(3) . . ?
C47 C48 H48 120.6 . . ?
C49 C48 C47 118.9(3) . . ?
C49 C48 H48 120.6 . . ?
C44 C49 H49 119.0 . . ?
C48 C49 C44 121.9(3) . . ?
C48 C49 H49 119.0 . . ?
N8 C50 C47 175.2(4) . . ?
O10 C51 H51A 109.5 . . ?
O10 C51 H51B 109.5 . . ?
O10 C51 H51C 109.5 . . ?
H51A C51 H51B 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
O1 B1 O4 111.9(3) . . ?
O1 B1 C37 106.1(3) . . ?
O4 B1 C37 107.2(3) . . ?
O7 B1 O1 113.0(3) . . ?
O7 B1 O4 111.9(3) . . ?
O7 B1 C37 106.3(3) . . ?
O3 B2 O6 111.9(3) . . ?
O3 B2 O9 113.0(3) . . ?
O3 B2 C44 105.8(3) . . ?
O6 B2 C44 108.9(3) . . ?
O9 B2 O6 111.6(3) . . ?
O9 B2 C44 105.2(3) . . ?
C1S O1S H1S 109.5 . . ?
O1S C1S H1SA 109.5 . . ?
O1S C1S H1SB 109.5 . . ?
O1S C1S H1SC 109.5 . . ?
H1SA C1S H1SB 109.5 . . ?
H1SA C1S H1SC 109.5 . . ?
H1SB C1S H1SC 109.5 . . ?
H2SA C2S H2SB 109.5 . . ?
H2SA C2S H2SC 109.5 . . ?
H2SB C2S H2SC 109.5 . . ?
H2SD C2S H2SE 109.5 . . ?
H2SD C2S H2SF 109.5 . . ?
H2SE C2S H2SF 109.5 . . ?
N1SB C2S H2SA 109.5 . . ?
N1SB C2S H2SB 109.5 . . ?
N1SB C2S H2SC 109.5 . . ?
N1SA C2S H2SD 109.5 . . ?
N1SA C2S H2SE 109.5 . . ?
N1SA C2S H2SF 109.5 . . ?
O2SB O3SB N1SB 134(2) 3_668 . ?
O2SB O3SB N1SB 52.7(17) 3_668 3_668 ?
N1SB O3SB N1SB 82.2(11) . 3_668 ?
O3SB O2SB N1SB 97(2) 3_668 . ?
C2S N1SB N1SB 177.9(9) . 3_668 ?
O3SB N1SB C2S 139.2(11) 3_668 . ?
O3SB N1SB C2S 122.9(11) . . ?
O3SB N1SB O3SB 97.8(11) . 3_668 ?
O3SB N1SB O2SB 127.3(12) . . ?
O3SB N1SB N1SB 57.3(9) . 3_668 ?
O3SB N1SB N1SB 40.5(6) 3_668 3_668 ?
O2SB N1SB C2S 109.4(11) . . ?
O2SB N1SB O3SB 29.8(7) . 3_668 ?
O2SB N1SB N1SB 70.2(8) . 3_668 ?
O2SA N1SA C2S 120.5(10) . . ?
O3SA N1SA C2S 118.2(12) . . ?
O3SA N1SA O2SA 121.3(14) . . ?
H3SA C3S H3SB 109.5 . . ?
H3SA C3S H3SC 109.5 . . ?
H3SB C3S H3SC 109.5 . . ?
N2S C3S H3SA 109.5 . . ?
N2S C3S H3SB 109.5 . . ?
N2S C3S H3SC 109.5 . . ?
O4S N2S C3S 119.6(9) . . ?
O4S N2S O5S 131.1(12) . . ?
O5S N2S C3S 108.8(11) . . ?
C4S O6S H6S 109.5 . . ?
H5SA C5S H5SB 109.5 . . ?
H5SA C5S H5SC 109.5 . . ?
H5SB C5S H5SC 109.5 . . ?
O7S C5S H5SA 109.5 . . ?
O7S C5S H5SB 109.5 . . ?
O7S C5S H5SC 109.5 . . ?
C5S O7S H7S 111.2 . . ?
O6S C4S H4SA 109.5 . . ?
O6S C4S H4SB 109.5 . . ?
O6S C4S H4SC 109.5 . . ?
H4SA C4S H4SB 109.5 . . ?
H4SA C4S H4SC 109.5 . . ?
H4SB C4S H4SC 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
Ag1 O1 N1 Co1 117.73(16) 3_568 . . . ?
Ag1 O1 N1 C7 -62.0(3) 3_568 . . . ?
Ag1 O1 B1 O4 173.0(2) 3_568 . . . ?
Ag1 O1 B1 O7 -59.6(3) 3_568 . . . ?
Ag1 O1 B1 C37 56.5(3) 3_568 . . . ?
Co1 O2 C1 C2 -10.7(5) . . . . ?
Co1 O2 C1 C6 170.1(2) . . . . ?
Co1 O5 C13 C14 -9.8(5) . . . . ?
Co1 O5 C13 C18 171.2(2) . . . . ?
Co1 O8 C25 C26 -11.5(5) . . . . ?
Co1 O8 C25 C30 168.8(2) . . . . ?
Co1 N1 C7 C2 -5.1(5) . . . . ?
Co1 N3 C19 C14 3.1(5) . . . . ?
Co1 N5 C31 C26 2.8(6) . . . . ?
Co2 O2 C1 C2 -167.8(2) . . . . ?
Co2 O2 C1 C6 13.0(5) . . . . ?
Co2 O5 C13 C14 -158.6(2) . . . . ?
Co2 O5 C13 C18 22.4(5) . . . . ?
Co2 O8 C25 C26 -159.8(2) . . . . ?
Co2 O8 C25 C30 20.5(4) . . . . ?
Co2 N2 C8 C6 -2.5(6) . . . . ?
Co2 N4 C20 C18 3.5(6) . . . . ?
Co2 N6 C32 C30 1.4(5) . . . . ?
O1 N1 C7 C2 174.5(3) . . . . ?
O2 C1 C2 C3 -179.0(3) . . . . ?
O2 C1 C2 C7 5.3(5) . . . . ?
O2 C1 C6 C5 179.4(3) . . . . ?
O2 C1 C6 C8 -0.1(5) . . . . ?
O3 N2 C8 C6 177.4(3) . . . . ?
O4 N3 C19 C14 179.0(3) . . . . ?
O5 C13 C14 C15 -178.2(3) . . . . ?
O5 C13 C14 C19 0.8(5) . . . . ?
O5 C13 C18 C17 177.5(3) . . . . ?
O5 C13 C18 C20 -5.4(5) . . . . ?
O6 N4 C20 C18 -177.9(3) . . . . ?
O7 N5 C31 C26 178.8(3) . . . . ?
O8 C25 C26 C27 -179.8(3) . . . . ?
O8 C25 C26 C31 2.7(5) . . . . ?
O8 C25 C30 C29 179.9(3) . . . . ?
O8 C25 C30 C32 -3.0(5) . . . . ?
O9 N6 C32 C30 -178.9(3) . . . . ?
N1 O1 B1 O4 -54.0(4) . . . . ?
N1 O1 B1 O7 73.4(4) . . . . ?
N1 O1 B1 C37 -170.5(3) . . . . ?
N2 O3 B2 O6 72.8(4) . . . . ?
N2 O3 B2 O9 -54.1(4) . . . . ?
N2 O3 B2 C44 -168.7(3) . . . . ?
N3 O4 B1 O1 73.3(4) . . . . ?
N3 O4 B1 O7 -54.7(4) . . . . ?
N3 O4 B1 C37 -170.8(3) . . . . ?
N4 O6 B2 O3 -55.7(4) . . . . ?
N4 O6 B2 O9 71.9(4) . . . . ?
N4 O6 B2 C44 -172.4(3) . . . . ?
N5 O7 B1 O1 -54.7(4) . . . . ?
N5 O7 B1 O4 72.6(4) . . . . ?
N5 O7 B1 C37 -170.7(3) . . . . ?
N6 O9 B2 O3 70.3(4) . . . . ?
N6 O9 B2 O6 -56.8(4) . . . . ?
N6 O9 B2 C44 -174.7(3) . . . . ?
C1 C2 C3 C4 -0.9(5) . . . . ?
C1 C2 C7 N1 2.4(5) . . . . ?
C1 C6 C8 N2 -5.1(6) . . . . ?
C2 C1 C6 C5 0.2(5) . . . . ?
C2 C1 C6 C8 -179.3(3) . . . . ?
C2 C3 C4 C5 1.0(6) . . . . ?
C2 C3 C4 C9 -177.9(4) . . . . ?
C3 C2 C7 N1 -173.5(3) . . . . ?
C3 C4 C5 C6 -0.6(6) . . . . ?
C3 C4 C9 C10 -8.5(6) . . . . ?
C3 C4 C9 C11 111.0(5) . . . . ?
C3 C4 C9 C12 -128.2(5) . . . . ?
C4 C5 C6 C1 0.0(6) . . . . ?
C4 C5 C6 C8 179.5(4) . . . . ?
C5 C4 C9 C10 172.7(4) . . . . ?
C5 C4 C9 C11 -67.8(5) . . . . ?
C5 C4 C9 C12 53.0(6) . . . . ?
C5 C6 C8 N2 175.4(4) . . . . ?
C6 C1 C2 C3 0.2(5) . . . . ?
C6 C1 C2 C7 -175.4(3) . . . . ?
C7 C2 C3 C4 175.1(3) . . . . ?
C9 C4 C5 C6 178.3(4) . . . . ?
C13 C14 C15 C16 0.2(5) . . . . ?
C13 C14 C19 N3 2.5(6) . . . . ?
C13 C18 C20 N4 -7.4(6) . . . . ?
C14 C13 C18 C17 -1.6(5) . . . . ?
C14 C13 C18 C20 175.6(3) . . . . ?
C14 C15 C16 C17 -0.4(5) . . . . ?
C14 C15 C16 C21 -179.8(4) . . . . ?
C15 C14 C19 N3 -178.5(3) . . . . ?
C15 C16 C17 C18 -0.4(5) . . . . ?
C15 C16 C21 C22 -4.8(6) . . . . ?
C15 C16 C21 C23 114.8(5) . . . . ?
C15 C16 C21 C24 -124.1(5) . . . . ?
C16 C17 C18 C13 1.5(5) . . . . ?
C16 C17 C18 C20 -175.9(3) . . . . ?
C17 C16 C21 C22 175.9(4) . . . . ?
C17 C16 C21 C23 -64.5(5) . . . . ?
C17 C16 C21 C24 56.6(5) . . . . ?
C17 C18 C20 N4 169.9(4) . . . . ?
C18 C13 C14 C15 0.8(5) . . . . ?
C18 C13 C14 C19 179.8(3) . . . . ?
C19 C14 C15 C16 -178.9(3) . . . . ?
C21 C16 C17 C18 178.9(4) . . . . ?
C25 C26 C27 C28 -0.5(5) . . . . ?
C25 C26 C31 N5 1.5(6) . . . . ?
C25 C30 C32 N6 -7.8(6) . . . . ?
C26 C25 C30 C29 0.1(5) . . . . ?
C26 C25 C30 C32 177.2(3) . . . . ?
C26 C27 C28 C29 0.8(5) . . . . ?
C26 C27 C28 C33 -174.0(3) . . . . ?
C27 C26 C31 N5 -176.2(4) . . . . ?
C27 C28 C29 C30 -0.7(5) . . . . ?
C27 C28 C33 C34 -41.4(6) . . . . ?
C27 C28 C33 C35 74.1(6) . . . . ?
C27 C28 C33 C36 -164.6(5) . . . . ?
C28 C29 C30 C25 0.2(5) . . . . ?
C28 C29 C30 C32 -177.0(3) . . . . ?
C29 C28 C33 C34 144.1(5) . . . . ?
C29 C28 C33 C35 -100.5(5) . . . . ?
C29 C28 C33 C36 20.9(6) . . . . ?
C29 C30 C32 N6 169.4(3) . . . . ?
C30 C25 C26 C27 0.0(5) . . . . ?
C30 C25 C26 C31 -177.6(3) . . . . ?
C31 C26 C27 C28 177.2(3) . . . . ?
C33 C28 C29 C30 174.1(3) . . . . ?
C37 C38 C39 C40 -0.5(7) . . . . ?
C38 C37 C42 C41 0.9(7) . . . . ?
C38 C37 B1 O1 42.2(5) . . . . ?
C38 C37 B1 O4 -77.4(4) . . . . ?
C38 C37 B1 O7 162.8(4) . . . . ?
C38 C39 C40 C41 0.1(7) . . . . ?
C38 C39 C40 C43 178.4(4) . . . . ?
C39 C40 C41 C42 0.8(7) . . . . ?
C40 C41 C42 C37 -1.3(8) . . . . ?
C42 C37 C38 C39 -0.1(7) . . . . ?
C42 C37 B1 O1 -136.5(4) . . . . ?
C42 C37 B1 O4 103.9(4) . . . . ?
C42 C37 B1 O7 -15.9(5) . . . . ?
C43 C40 C41 C42 -177.6(4) . . . . ?
C44 C45 C46 C47 -0.5(6) . . . . ?
C45 C44 C49 C48 -0.5(6) . . . . ?
C45 C44 B2 O3 33.9(4) . . . . ?
C45 C44 B2 O6 154.4(3) . . . . ?
C45 C44 B2 O9 -85.9(4) . . . . ?
C45 C46 C47 C48 0.6(6) . . . . ?
C45 C46 C47 C50 -178.3(4) . . . . ?
C46 C47 C48 C49 -0.6(6) . . . . ?
C47 C48 C49 C44 0.5(6) . . . . ?
C49 C44 C45 C46 0.5(6) . . . . ?
C49 C44 B2 O3 -149.1(3) . . . . ?
C49 C44 B2 O6 -28.7(5) . . . . ?
C49 C44 B2 O9 91.1(4) . . . . ?
C50 C47 C48 C49 178.3(4) . . . . ?
B1 O1 N1 Co1 -17.0(4) . . . . ?
B1 O1 N1 C7 163.3(3) . . . . ?
B1 O4 N3 Co1 -14.4(4) . . . . ?
B1 O4 N3 C19 169.1(3) . . . . ?
B1 O7 N5 Co1 -13.8(4) . . . . ?
B1 O7 N5 C31 169.6(3) . . . . ?
B1 C37 C38 C39 -178.8(4) . . . . ?
B1 C37 C42 C41 179.7(4) . . . . ?
B2 O3 N2 Co2 -14.2(4) . . . . ?
B2 O3 N2 C8 165.9(3) . . . . ?
B2 O6 N4 Co2 -11.7(4) . . . . ?
B2 O6 N4 C20 169.5(3) . . . . ?
B2 O9 N6 Co2 -13.0(3) . . . . ?
B2 O9 N6 C32 167.2(3) . . . . ?
B2 C44 C45 C46 177.6(3) . . . . ?
B2 C44 C49 C48 -177.5(4) . . . . ?
O3SB O2SB N1SB C2S -176.6(18) 3_668 . . . ?
O3SB O2SB N1SB O3SB 10(3) 3_668 . . . ?
O3SB O2SB N1SB N1SB 5.6(18) 3_668 . . 3_668 ?
O2SB O3SB N1SB C2S 174(3) 3_668 . . . ?
O2SB O3SB N1SB O3SB -9(3) 3_668 . . 3_668 ?
O2SB O3SB N1SB O2SB -14(4) 3_668 . . . ?
O2SB O3SB N1SB N1SB -9(3) 3_668 . . 3_668 ?
N1SB C2S N1SA O2SA 123.7(13) . . . . ?
N1SB C2S N1SA O3SA -57.0(18) . . . . ?
N1SB O3SB N1SB C2S -177.5(10) 3_668 . . . ?
N1SB O3SB N1SB O3SB -0.002(2) 3_668 . . 3_668 ?
N1SB O3SB N1SB O2SB -5.1(15) 3_668 . . . ?
N1SA C2S N1SB O3SB 127.0(14) . . . . ?
N1SA C2S N1SB O3SB -49.1(19) . . . 3_668 ?
N1SA C2S N1SB O2SB -46.6(16) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_12
_database_code_depnum_ccdc_archive 'CCDC 1481128'
_audit_update_record             
;
2016-05-20 deposited with the CCDC.
2016-08-26 downloaded from the CCDC.
;
_audit_creation_date             2016-04-18
_audit_creation_method           
;
Olex2 1.2
(compiled 2016.02.19 svn.r3266 for OlexSys, GUI svn.r5155)
;
_shelxl_version_number           2014-3
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         
'0.5(C152 H121 Ag2 B4 N20 O18 Zn4), 1.5(C H3 N O2), 0.75(C H4 O)'
_chemical_formula_sum            'C78.25 H68.50 Ag B2 N11.50 O12.75 Zn2'
_chemical_formula_weight         1634.17
_chemical_absolute_configuration ?
_chemical_melting_point          ?
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'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 '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'
Zn Zn 0.2839 1.4301 '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           1
_space_group_name_H-M_alt        'P 1'
_space_group_name_Hall           'P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'

_cell_length_a                   15.6943(3)
_cell_length_b                   17.8805(5)
_cell_length_c                   18.0418(4)
_cell_angle_alpha                67.658(2)
_cell_angle_beta                 78.0034(17)
_cell_angle_gamma                65.410(2)
_cell_volume                     4250.72(19)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    24020
_cell_measurement_temperature    140.0(1)
_cell_measurement_theta_max      29.0900
_cell_measurement_theta_min      3.9380
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.850
_exptl_absorpt_correction_T_max  0.747
_exptl_absorpt_correction_T_min  0.503
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.41 (Rigaku Oxford Diffraction, 2015)
Analytical numeric absorption correction using a multifaceted crystal
			model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_oxdiff_exptl_absorpt_empirical_full_min 0.523
_oxdiff_exptl_absorpt_empirical_full_max 1.520
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_colour_primary    'pale yellow'
_exptl_crystal_density_diffrn    1.277
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             1675
_exptl_crystal_size_max          0.7
_exptl_crystal_size_mid          0.5
_exptl_crystal_size_min          0.1
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0305
_diffrn_reflns_av_unetI/netI     0.0514
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.864
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            55999
_diffrn_reflns_point_group_measured_fraction_full 0.824
_diffrn_reflns_point_group_measured_fraction_max 0.678
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         29.480
_diffrn_reflns_theta_min         3.597
_diffrn_ambient_temperature      140.00(10)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.864
_diffrn_measurement_device_type  'Super Nova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'micro-focus sealed X-ray tuve'
_diffrn_source_type              'SuperNova Mo X-ray Source'
_reflns_Friedel_coverage         0.571
_reflns_Friedel_fraction_full    0.653
_reflns_Friedel_fraction_max     0.493
_reflns_number_gt                28082
_reflns_number_total             32067
_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 1.171.38.41 (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL (Sheldrick, 2015a)'
_computing_structure_solution    'SHEXTL (Sheldrick, 2015b)'
_refine_diff_density_max         2.176
_refine_diff_density_min         -0.946
_refine_diff_density_rms         0.116
_refine_ls_abs_structure_details 
;
 Flack x determined using 9588 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.011(6)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.003
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2059
_refine_ls_number_reflns         32067
_refine_ls_number_restraints     209
_refine_ls_R_factor_all          0.0716
_refine_ls_R_factor_gt           0.0614
_refine_ls_restrained_S_all      1.009
_refine_ls_shift/su_max          0.007
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0600P)²+16.9104P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1513
_refine_ls_wR_factor_ref         0.1588
_refine_special_details          SQUEEZE
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups
2. Restrained distances
 C3BA-C1G
 2.5 with sigma of 0.02
 C32-C34 = C32-C35
 1.5 with sigma of 0.02
 C34-C35
 2.5 with sigma of 0.02
 C33-C32
 1.5 with sigma of 0.02
 C34-C33
 2.5 with sigma of 0.02
 C33-C35
 2.5 with sigma of 0.02
 C34-C27
 2.5 with sigma of 0.02
 O2S-O1S
 2 with sigma of 0.02
 O0AA-C16S
 1.47 with sigma of 0.02
 O12S-O11S
 2 with sigma of 0.02
 N9S-C9S
 1.4 with sigma of 0.02
 O15S-O14S = O1AA-O18S
 2.2 with sigma of 0.02
 N10S-C10S
 1.4 with sigma of 0.02
 H26-H35A
 2.15 with sigma of 0.01
 H26-H35E
 2.15 with sigma of 0.01
 C35A-C32
 1.5 with sigma of 0.02
 O14S-C9S \\sim C9S-O15S
 with sigma of 0.02
 O18S-C10S \\sim C10S-O1AA
 with sigma of 0.02
 O18S-N10S \\sim O1AA-N10S
 with sigma of 0.02
 O11S-C6S \\sim C6S-O12S
 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
C32 \\sim C32A: within 2A with sigma of 0.04 and sigma for terminal atoms of
0.08
C35 \\sim C35A: within 2A with sigma of 0.04 and sigma for terminal atoms of
0.08
C34 \\sim C34A: within 2A with sigma of 0.04 and sigma for terminal atoms of
0.08
C33 \\sim C33A: within 2A with sigma of 0.04 and sigma for terminal atoms of
0.08
Uanis(C10) \\sim Ueq, Uanis(C11) \\sim Ueq, Uanis(C12) \\sim Ueq: with sigma of
0.008 and sigma for terminal atoms of 0.008
Uanis(C27) \\sim Ueq, Uanis(C26) \\sim Ueq, Uanis(C28) \\sim Ueq: with sigma of
0.008 and sigma for terminal atoms of 0.016
Uanis(O1S) \\sim Ueq, Uanis(O12S) \\sim Ueq, Uanis(N6S) \\sim Ueq, Uanis(C6S)
\\sim Ueq, Uanis(O11S) \\sim Ueq, Uanis(C4S) \\sim Ueq, Uanis(O8S) \\sim Ueq,
Uanis(O7S) \\sim Ueq, Uanis(N4S) \\sim Ueq, Uanis(C16S) \\sim Ueq, Uanis(O0AA)
\\sim Ueq, Uanis(N9S) \\sim Ueq, Uanis(O15S) \\sim Ueq, Uanis(O14S) \\sim Ueq,
Uanis(C10S) \\sim Ueq, Uanis(N10S) \\sim Ueq, Uanis(O1AA) \\sim Ueq,
Uanis(O18S) \\sim Ueq, Uanis(O4S) \\sim Ueq, Uanis(O3S) \\sim Ueq: with sigma
of 0.006 and sigma for terminal atoms of 0.006
Uanis(C2S) \\sim Ueq, Uanis(C9S) \\sim Ueq: with sigma of 0.008 and sigma for
terminal atoms of 0.008
Uanis(O2S) \\sim Ueq, Uanis(N1S) \\sim Ueq: with sigma of 0.006 and sigma for
terminal atoms of 0.006
Uiso(C23) = Uiso(C22A)
Uiso(C22) = Uiso(C21A)
Uiso(C21) = Uiso(C23A)
Uiso(C147) = Uiso(C1G)
Uiso(C3BA) = Uiso(C3BB)
Uiso(C0AA) = Uiso(C1H)
Uiso(C7AA) = Uiso(C74A)
Uiso(C9AA) = Uiso(C75A)
Uiso(C1BA) = Uiso(C73A)
Uiso(C0BA) = Uiso(C72A)
Uiso(C80) = Uiso(C66A)
Uiso(C79) = Uiso(C67A)
Uiso(C78) = Uiso(C68A)
Uiso(C6AA) = Uiso(C1I)
Uiso(N18) = Uiso(N18A)
4. Rigid body (RIGU) restrains
 C27, C32, C33, C34, C35
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
5. Others
 Fixed Sof: C32(0.5) N18(0.5) C0AA(0.5) H0AA(0.5) H0AB(0.5) H0AC(0.5)
 C0BA(0.5) C1BA(0.5) H1BA(0.5) H1BB(0.5) H1BC(0.5) C1G(0.5) H1GA(0.5) H1GB(0.5)
 H1GC(0.5) C3BA(0.5) H3BA(0.5) H3BB(0.5) H3BC(0.5) C6AA(0.5) C7AA(0.5)
 H7AA(0.5) H7AB(0.5) H7AC(0.5) C9AA(0.5) H9AA(0.5) H9AB(0.5) H9AC(0.5) C21(0.5)
 H21A(0.5) H21B(0.5) H21C(0.5) C21A(0.5) H21D(0.5) H21E(0.5) H21F(0.5) C23(0.5)
 H23A(0.5) H23B(0.5) H23C(0.5) C33(0.5) H33A(0.5) H33B(0.5) H33C(0.5) C34(0.5)
 H34A(0.5) H34B(0.5) H34C(0.5) C35(0.5) H35A(0.5) H35B(0.5) H35C(0.5) C78(0.5)
 H78(0.5) C79(0.5) C80(0.5) H80(0.5) N18A(0.5) C1H(0.5) H1HA(0.5) H1HB(0.5)
 H1HC(0.5) C1I(0.5) C3BB(0.5) H3BD(0.5) H3BE(0.5) H3BF(0.5) C22(0.5) H22A(0.5)
 H22B(0.5) H22C(0.5) C22A(0.5) H22D(0.5) H22E(0.5) H22F(0.5) C23A(0.5)
 H23D(0.5) H23E(0.5) H23F(0.5) C66A(0.5) H66A(0.5) C67A(0.5) C68A(0.5)
 H68A(0.5) C72A(0.5) C73A(0.5) H73A(0.5) H73B(0.5) H73C(0.5) C74A(0.5)
 H74A(0.5) H74B(0.5) H74C(0.5) C75A(0.5) H75A(0.5) H75B(0.5) H75C(0.5)
 C147(0.5) H14A(0.5) H14B(0.5) H14C(0.5) O3S(0.5) O2S(0.5) O1S(0.5) O4S(0.5)
 N2S(0.5) N1S(0.5) C1S(0.5) H1SA(0.5) H1SB(0.5) H1SC(0.5) C2S(0.5) H2SA(0.5)
 H2SB(0.5) H2SC(0.5) N4S(0.5) O8S(0.5) O7S(0.5) C4S(0.5) H4SA(0.5) H4SB(0.5)
 H4SC(0.5) N6S(0.5) O11S(0.5) O12S(0.5) C6S(0.5) H6SA(0.5) H6SB(0.5) H6SC(0.5)
 N10S(0.5) N9S(0.5) O1AA(0.5) O14S(0.5) O18S(0.5) O15S(0.5) C9S(0.5) H9SA(0.5)
 H9SB(0.5) H9SC(0.5) C10S(0.5) H10M(0.5) H10N(0.5) H10O(0.5) O0AA(0.5)
 H0AD(0.5) C16S(0.5) H16A(0.5) H16B(0.5) H16C(0.5) C32A(0.5) C35A(0.5)
 H35D(0.5) H35E(0.5) H35F(0.5) C34A(0.5) H34D(0.5) H34E(0.5) H34F(0.5)
 C33A(0.5) H33D(0.5) H33E(0.5) H33F(0.5)
6.a Aromatic/amide H refined with riding coordinates:
 C3(H3), C5(H5), C7(H7), C8(H8), C15(H15), C17(H17), C19(H19), C20(H20),
 C26(H26), C30(H30), C31(H31), C37(H37), C39(H39), C41(H41), C43(H43), C44(H44),
  C46(H46), C47(H47), C50(H50), C51(H51), C53(H53), C54(H54), C57(H57),
 C59(H59), C61(H61), C63(H63), C64(H64), C66(H66), C67(H67), C70(H70), C71(H71),
  C73(H73), C74(H74), C82(H82), C83(H83), C86(H86), C88(H88), C90(H90),
 C91(H91), C96(H96), C98(H98), C100(H100), C101(H101), C107(H107), C109(H109),
 C111(H111), C113(H113), C114(H114), C116(H116), C117(H117), C120(H120),
 C121(H121), C123(H123), C124(H124), C126(H126), C128(H128), C130(H130),
 C132(H132), C133(H133), C135(H135), C136(H136), C139(H139), C140(H140),
 C142(H142), C143(H143), C78(H78), C80(H80), C66A(H66A), C68A(H68A)
6.b Idealised Me refined as rotating group:
 C10(H10A,H10B,H10C), C11(H11A,H11B,H11C), C12(H12A,H12B,H12C), C103(H10D,H10E,
 H10F), C104(H10G,H10H,H10I), C105(H10J,H10K,H10L), C0AA(H0AA,H0AB,H0AC),
 C1BA(H1BA,H1BB,H1BC), C1G(H1GA,H1GB,H1GC), C3BA(H3BA,H3BB,H3BC), C7AA(H7AA,
 H7AB,H7AC), C9AA(H9AA,H9AB,H9AC), C21(H21A,H21B,H21C), C21A(H21D,H21E,H21F),
 C23(H23A,H23B,H23C), C33(H33A,H33B,H33C), C34(H34A,H34B,H34C), C35(H35A,H35B,
 H35C), C1H(H1HA,H1HB,H1HC), C3BB(H3BD,H3BE,H3BF), C22(H22A,H22B,H22C),
 C22A(H22D,H22E,H22F), C23A(H23D,H23E,H23F), C73A(H73A,H73B,H73C), C74A(H74A,
 H74B,H74C), C75A(H75A,H75B,H75C), C147(H14A,H14B,H14C), C1S(H1SA,H1SB,H1SC),
 C2S(H2SA,H2SB,H2SC), C4S(H4SA,H4SB,H4SC), C8S(H8SA,H8SB,H8SC), C6S(H6SA,H6SB,
 H6SC), C9S(H9SA,H9SB,H9SC), C10S(H10M,H10N,H10O), C16S(H16A,H16B,H16C),
 C35A(H35D,H35E,H35F), C34A(H34D,H34E,H34F), C33A(H33D,H33E,H33F)
6.c Idealised tetrahedral OH refined as rotating group:
 O13S(H13S), O0AA(H0AD)
;
_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
Ag1 Ag 0.36690(4) 1.92093(4) -1.18081(4) 0.03529(15) Uani 1 1 d . . . . .
Ag2 Ag -0.07672(6) 1.21684(5) 0.25252(5) 0.0518(2) Uani 1 1 d . . . . .
Zn1 Zn 0.61951(6) 1.02840(5) -0.40040(5) 0.02199(17) Uani 1 1 d . . . . .
Zn2 Zn 0.66806(6) 1.11100(5) -0.56852(5) 0.02340(18) Uani 1 1 d . . . . .
Zn3 Zn 0.46045(6) 0.34262(5) 0.93267(5) 0.02593(19) Uani 1 1 d . . . . .
Zn4 Zn 0.28198(6) 0.49293(6) 0.90617(5) 0.0279(2) Uani 1 1 d . . . . .
O1 O 0.5796(4) 1.0247(4) -0.2276(3) 0.0311(12) Uani 1 1 d . . . . .
O2 O 0.6331(4) 1.1489(3) -0.4667(3) 0.0278(12) Uani 1 1 d . . . . .
O3 O 0.6746(5) 1.2670(4) -0.7111(3) 0.0389(15) Uani 1 1 d . . . . .
O4 O 0.6563(4) 0.8794(3) -0.2432(3) 0.0299(12) Uani 1 1 d . . . . .
O5 O 0.7366(4) 0.9971(3) -0.4787(3) 0.0301(12) Uani 1 1 d . . . . .
O6 O 0.8117(4) 1.1327(4) -0.7082(3) 0.0324(13) Uani 1 1 d . . . . .
O7 O 0.4878(4) 0.9643(4) -0.2674(3) 0.0285(12) Uani 1 1 d . . . . .
O8 O 0.5600(4) 1.0655(4) -0.5093(3) 0.0346(13) Uani 1 1 d . . . . .
O9 O 0.6582(4) 1.1514(4) -0.7448(3) 0.0332(13) Uani 1 1 d . . . . .
O10 O 0.1719(5) 0.6842(4) 0.8378(6) 0.065(2) Uani 1 1 d . . . . .
O11 O 0.4211(4) 0.4711(4) 0.8614(4) 0.0334(13) Uani 1 1 d . . . . .
O12 O 0.6706(4) 0.2539(4) 0.9028(4) 0.0416(15) Uani 1 1 d . . . . .
O13 O 0.1006(5) 0.6149(6) 0.9629(5) 0.067(3) Uani 1 1 d . . . . .
O14 O 0.3558(5) 0.4093(4) 1.0071(4) 0.0439(16) Uani 1 1 d . . . . .
O15 O 0.6098(5) 0.2021(4) 1.0405(4) 0.0427(16) Uani 1 1 d . . . . .
O16 O 0.0878(5) 0.5939(4) 0.8415(5) 0.0475(17) Uani 1 1 d . . . . .
O17 O 0.3271(4) 0.3676(4) 0.8966(4) 0.0336(13) Uani 1 1 d . . . . .
O18 O 0.5822(4) 0.1580(4) 0.9370(4) 0.0360(13) Uani 1 1 d . . . . .
N1 N 0.5854(4) 1.0811(4) -0.3061(3) 0.0237(13) Uani 1 1 d . . . . .
N2 N 0.6545(5) 1.2422(4) -0.6281(4) 0.0331(16) Uani 1 1 d . . . . .
N3 N 0.6980(4) 0.9086(4) -0.3189(4) 0.0249(13) Uani 1 1 d . . . . .
N4 N 0.8015(5) 1.0748(4) -0.6308(4) 0.0272(14) Uani 1 1 d . . . . .
N5 N 0.5031(4) 0.9912(4) -0.3521(3) 0.0237(13) Uani 1 1 d . . . . .
N6 N 0.6151(5) 1.1200(5) -0.6702(4) 0.0297(15) Uani 1 1 d . . . . .
N7 N 0.0540(7) 1.1416(7) 0.1912(6) 0.061(3) Uani 1 1 d . . . . .
N8 N 0.8468(7) 0.3614(6) 0.1980(6) 0.058(2) Uani 1 1 d . . . . .
N9 N 0.4112(6) 1.7805(5) -1.1484(5) 0.0398(18) Uani 1 1 d . . . . .
N10 N 1.2459(5) 1.0248(5) -1.1521(5) 0.0406(18) Uani 1 1 d . . . . .
N11 N 0.2627(5) 0.6214(5) 0.8344(5) 0.0405(18) Uani 1 1 d . . . . .
N12 N 0.5964(5) 0.3350(4) 0.8806(4) 0.0300(14) Uani 1 1 d . . . . .
N13 N 0.1852(5) 0.5460(5) 0.9913(5) 0.044(2) Uani 1 1 d . . . . .
N14 N 0.5243(5) 0.2700(4) 1.0415(4) 0.0287(14) Uani 1 1 d . . . . .
N15 N 0.1647(5) 0.5155(4) 0.8489(4) 0.0311(15) Uani 1 1 d . . . . .
N16 N 0.4967(5) 0.2250(4) 0.9106(4) 0.0283(14) Uani 1 1 d . . . . .
N17 N -0.0777(7) 1.1808(6) 0.3908(6) 0.056(2) Uani 1 1 d . . . . .
N19 N 1.2629(7) -0.0959(8) 0.6806(7) 0.069(3) Uani 1 1 d . . . . .
N20 N 0.8635(9) -0.2898(9) 1.4894(7) 0.086(4) Uani 1 1 d . . . . .
C1 C 0.5968(5) 1.2250(5) -0.4558(5) 0.0277(16) Uani 1 1 d . . . . .
C2 C 0.5645(6) 1.2316(5) -0.3786(5) 0.0283(16) Uani 1 1 d . . . . .
C2BA C 1.0973(6) 0.7209(6) -0.4507(6) 0.041(2) Uani 1 1 d . . . . .
C3 C 0.5231(6) 1.3138(5) -0.3691(5) 0.0315(17) Uani 1 1 d . . . . .
H3 H 0.5012 1.3166 -0.3167 0.038 Uiso 1 1 calc R . . . .
C4 C 0.5123(7) 1.3906(5) -0.4312(5) 0.0356(19) Uani 1 1 d . . . . .
C5 C 0.5495(7) 1.3826(5) -0.5060(5) 0.040(2) Uani 1 1 d . . . . .
H5 H 0.5472 1.4340 -0.5498 0.048 Uiso 1 1 calc R . . . .
C6 C 0.5897(6) 1.3037(5) -0.5203(5) 0.0330(18) Uani 1 1 d . . . . .
C7 C 0.5694(6) 1.1575(5) -0.3081(5) 0.0277(16) Uani 1 1 d . . . . .
H7 H 0.5596 1.1664 -0.2578 0.033 Uiso 1 1 calc R . . . .
C8 C 0.6238(6) 1.3050(5) -0.6020(5) 0.037(2) Uani 1 1 d . . . . .
H8 H 0.6226 1.3596 -0.6398 0.045 Uiso 1 1 calc R . . . .
C9 C 0.4622(7) 1.4806(6) -0.4206(6) 0.042(2) Uani 1 1 d . . . . .
C10 C 0.4056(10) 1.4758(8) -0.3400(8) 0.072(4) Uani 1 1 d . U . . .
H10A H 0.3636 1.4455 -0.3336 0.108 Uiso 1 1 calc GR . . . .
H10B H 0.3685 1.5349 -0.3385 0.108 Uiso 1 1 calc GR . . . .
H10C H 0.4487 1.4439 -0.2964 0.108 Uiso 1 1 calc GR . . . .
C11 C 0.3909(11) 1.5407(8) -0.4861(8) 0.079(4) Uani 1 1 d . U . . .
H11A H 0.4247 1.5537 -0.5386 0.118 Uiso 1 1 calc GR . . . .
H11B H 0.3526 1.5951 -0.4749 0.118 Uiso 1 1 calc GR . . . .
H11C H 0.3502 1.5115 -0.4863 0.118 Uiso 1 1 calc GR . . . .
C12 C 0.5333(10) 1.5192(9) -0.4280(10) 0.077(4) Uani 1 1 d . U . . .
H12A H 0.5802 1.4795 -0.3881 0.115 Uiso 1 1 calc GR . . . .
H12B H 0.5018 1.5753 -0.4187 0.115 Uiso 1 1 calc GR . . . .
H12C H 0.5642 1.5280 -0.4820 0.115 Uiso 1 1 calc GR . . . .
C13 C 0.8191(5) 0.9347(5) -0.4711(4) 0.0250(15) Uani 1 1 d . . . . .
C14 C 0.8436(5) 0.8616(5) -0.4002(4) 0.0254(15) Uani 1 1 d . . . . .
C15 C 0.9309(6) 0.7943(5) -0.3961(5) 0.0303(17) Uani 1 1 d . . . . .
H15 H 0.9437 0.7452 -0.3485 0.036 Uiso 1 1 calc R . . . .
C16 C 0.9998(6) 0.7951(5) -0.4576(5) 0.0332(18) Uani 1 1 d . . . . .
C17 C 0.9772(6) 0.8681(5) -0.5274(5) 0.0348(19) Uani 1 1 d . . . . .
H17 H 1.0231 0.8708 -0.5709 0.042 Uiso 1 1 calc R . . . .
C18 C 0.8905(5) 0.9369(5) -0.5359(5) 0.0275(16) Uani 1 1 d . . . . .
C19 C 0.7799(5) 0.8517(5) -0.3282(5) 0.0272(16) Uani 1 1 d . . . . .
H19 H 0.8006 0.7988 -0.2847 0.033 Uiso 1 1 calc R . . . .
C20 C 0.8770(6) 1.0083(5) -0.6112(5) 0.0309(17) Uani 1 1 d . . . . .
H20 H 0.9290 1.0053 -0.6494 0.037 Uiso 1 1 calc R . . . .
C24 C 0.5021(6) 1.0449(6) -0.5300(5) 0.0335(18) Uani 1 1 d . . . . .
C25 C 0.4948(7) 1.0587(8) -0.6112(5) 0.052(3) Uani 1 1 d . . . . .
C26 C 0.4314(9) 1.0349(10) -0.6331(7) 0.072(3) Uani 1 1 d . U . . .
H26 H 0.4297 1.0440 -0.6882 0.086 Uiso 1 1 calc DR . . . .
C27 C 0.3708(9) 0.9987(12) -0.5780(8) 0.081(4) Uani 1 1 d D U . . .
C28 C 0.3779(9) 0.9847(10) -0.4958(7) 0.069(3) Uani 1 1 d . U . . .
C29 C 0.4403(6) 1.0073(7) -0.4726(5) 0.043(2) Uani 1 1 d . . . . .
C30 C 0.4427(6) 0.9860(6) -0.3862(5) 0.0338(18) Uani 1 1 d . . . . .
H30 H 0.3955 0.9667 -0.3525 0.041 Uiso 1 1 calc R . . . .
C31 C 0.5539(6) 1.0948(7) -0.6775(5) 0.044(2) Uani 1 1 d . . . . .
H31 H 0.5454 1.0996 -0.7300 0.053 Uiso 1 1 calc R . . . .
C32 C 0.3207(14) 0.9434(13) -0.5983(10) 0.055(5) Uiso 0.5 1 d D U P A 1
C36 C 0.5400(6) 0.9001(5) -0.1276(5) 0.0271(16) Uani 1 1 d . . . . .
C37 C 0.4619(6) 0.9487(5) -0.0886(5) 0.0271(16) Uani 1 1 d . . . . .
H37 H 0.4273 1.0077 -0.1175 0.032 Uiso 1 1 calc R . . . .
C38 C 0.4333(6) 0.9133(5) -0.0090(5) 0.0301(17) Uani 1 1 d . . . . .
C39 C 0.4858(7) 0.8262(6) 0.0320(5) 0.037(2) Uani 1 1 d . . . . .
H39 H 0.4672 0.8000 0.0860 0.044 Uiso 1 1 calc R . . . .
C40 C 0.5645(6) 0.7774(5) -0.0047(5) 0.0312(17) Uani 1 1 d . . . . .
C41 C 0.5900(6) 0.8148(5) -0.0839(4) 0.0283(16) Uani 1 1 d . . . . .
H41 H 0.6433 0.7810 -0.1091 0.034 Uiso 1 1 calc R . . . .
C42 C 0.3488(5) 0.9672(5) 0.0355(4) 0.0278(16) Uani 1 1 d . . . . .
C43 C 0.2978(7) 0.9247(7) 0.0926(6) 0.049(2) Uani 1 1 d . . . . .
H43 H 0.3143 0.8641 0.1043 0.058 Uiso 1 1 calc R . . . .
C44 C 0.2225(9) 0.9698(8) 0.1332(6) 0.060(3) Uani 1 1 d . . . . .
H44 H 0.1876 0.9405 0.1745 0.072 Uiso 1 1 calc R . . . .
C45 C 0.1972(7) 1.0619(7) 0.1121(6) 0.045(2) Uani 1 1 d . . . . .
C46 C 0.2480(8) 1.1014(8) 0.0528(7) 0.054(3) Uani 1 1 d . . . . .
H46 H 0.2323 1.1624 0.0379 0.065 Uiso 1 1 calc R . . . .
C47 C 0.3241(7) 1.0520(8) 0.0134(6) 0.049(3) Uani 1 1 d . . . . .
H47 H 0.3583 1.0801 -0.0298 0.059 Uiso 1 1 calc R . . . .
C48 C 0.1184(7) 1.1076(8) 0.1548(7) 0.054(3) Uani 1 1 d . . . . .
C49 C 0.6253(6) 0.6829(6) 0.0450(5) 0.0321(18) Uani 1 1 d . . . . .
C50 C 0.7193(7) 0.6585(6) 0.0278(6) 0.042(2) Uani 1 1 d . . . . .
H50 H 0.7451 0.6982 -0.0112 0.050 Uiso 1 1 calc R . . . .
C51 C 0.7779(7) 0.5728(6) 0.0693(6) 0.042(2) Uani 1 1 d . . . . .
H51 H 0.8441 0.5541 0.0593 0.051 Uiso 1 1 calc R . . . .
C52 C 0.7381(8) 0.5171(6) 0.1242(6) 0.044(2) Uani 1 1 d . . . . .
C53 C 0.6410(8) 0.5438(7) 0.1393(6) 0.048(2) Uani 1 1 d . . . . .
H53 H 0.6141 0.5045 0.1772 0.058 Uiso 1 1 calc R . . . .
C54 C 0.5832(8) 0.6297(6) 0.0979(5) 0.047(2) Uani 1 1 d . . . . .
H54 H 0.5168 0.6495 0.1069 0.056 Uiso 1 1 calc R . . . .
C55 C 0.7986(8) 0.4303(6) 0.1663(6) 0.047(2) Uani 1 1 d . . . . .
C56 C 0.7472(5) 1.2420(5) -0.8380(4) 0.0278(16) Uani 1 1 d . . . . .
C57 C 0.8294(6) 1.2028(5) -0.8779(4) 0.0288(17) Uani 1 1 d . . . . .
H57 H 0.8707 1.1461 -0.8499 0.035 Uiso 1 1 calc R . . . .
C58 C 0.8541(6) 1.2434(5) -0.9577(5) 0.0290(17) Uani 1 1 d . . . . .
C59 C 0.7938(6) 1.3254(5) -0.9989(5) 0.0290(17) Uani 1 1 d . . . . .
H59 H 0.8097 1.3535 -1.0532 0.035 Uiso 1 1 calc R . . . .
C60 C 0.7084(5) 1.3680(5) -0.9609(4) 0.0250(15) Uani 1 1 d . . . . .
C61 C 0.6878(6) 1.3250(5) -0.8818(5) 0.0277(16) Uani 1 1 d . . . . .
H61 H 0.6307 1.3532 -0.8560 0.033 Uiso 1 1 calc R . . . .
C62 C 0.6443(5) 1.4554(5) -1.0041(4) 0.0250(15) Uani 1 1 d . . . . .
C63 C 0.6783(6) 1.5179(5) -1.0588(5) 0.0310(17) Uani 1 1 d . . . . .
H63 H 0.7440 1.5033 -1.0703 0.037 Uiso 1 1 calc R . . . .
C64 C 0.6168(6) 1.6009(5) -1.0963(5) 0.0325(18) Uani 1 1 d . . . . .
H64 H 0.6403 1.6433 -1.1334 0.039 Uiso 1 1 calc R . . . .
C65 C 0.5208(6) 1.6225(5) -1.0799(5) 0.0305(17) Uani 1 1 d . . . . .
C66 C 0.4845(6) 1.5608(5) -1.0274(5) 0.0327(18) Uani 1 1 d . . . . .
H66 H 0.4186 1.5751 -1.0177 0.039 Uiso 1 1 calc R . . . .
C67 C 0.5471(6) 1.4782(5) -0.9900(5) 0.0306(17) Uani 1 1 d . . . . .
H67 H 0.5233 1.4356 -0.9537 0.037 Uiso 1 1 calc R . . . .
C68 C 0.4581(7) 1.7103(6) -1.1182(5) 0.0354(19) Uani 1 1 d . . . . .
C69 C 0.9435(6) 1.1979(5) -0.9980(5) 0.0292(17) Uani 1 1 d . . . . .
C70 C 0.9794(6) 1.1080(6) -0.9770(5) 0.0320(17) Uani 1 1 d . . . . .
H70 H 0.9478 1.0757 -0.9350 0.038 Uiso 1 1 calc R . . . .
C71 C 1.0601(6) 1.0633(6) -1.0153(5) 0.0326(18) Uani 1 1 d . . . . .
H71 H 1.0837 1.0016 -1.0003 0.039 Uiso 1 1 calc R . . . .
C72 C 1.1047(6) 1.1118(6) -1.0759(5) 0.0359(19) Uani 1 1 d . . . . .
C73 C 1.0746(7) 1.2004(7) -1.0955(6) 0.048(2) Uani 1 1 d . . . . .
H73 H 1.1079 1.2323 -1.1358 0.057 Uiso 1 1 calc R . . . .
C74 C 0.9937(7) 1.2430(6) -1.0548(6) 0.047(3) Uani 1 1 d . . . . .
H74 H 0.9733 1.3042 -1.0667 0.056 Uiso 1 1 calc R . . . .
C75 C 1.1855(6) 1.0648(6) -1.1187(5) 0.0366(19) Uani 1 1 d . . . . .
C76 C 0.3488(6) 0.4045(6) 1.0817(5) 0.0340(18) Uani 1 1 d . . . . .
C77 C 0.4199(6) 0.3422(6) 1.1350(5) 0.0338(18) Uani 1 1 d . . . . .
C81 C 0.2686(7) 0.4620(7) 1.1128(6) 0.047(2) Uani 1 1 d . . . . .
C82 C 0.5037(6) 0.2777(5) 1.1118(5) 0.0319(18) Uani 1 1 d . . . . .
H82 H 0.5470 0.2378 1.1520 0.038 Uiso 1 1 calc R . . . .
C83 C 0.1915(7) 0.5284(7) 1.0648(6) 0.048(3) Uani 1 1 d . . . . .
H83 H 0.1401 0.5622 1.0916 0.058 Uiso 1 1 calc R . . . .
C84 C 0.4673(6) 0.5199(5) 0.8125(5) 0.0291(16) Uani 1 1 d . . . . .
C85 C 0.5660(6) 0.4860(5) 0.7975(5) 0.0284(16) Uani 1 1 d . . . . .
C86 C 0.6114(6) 0.5400(6) 0.7444(5) 0.0344(18) Uani 1 1 d . . . . .
H86 H 0.6775 0.5154 0.7349 0.041 Uiso 1 1 calc R . . . .
C87 C 0.5644(7) 0.6288(6) 0.7043(5) 0.0367(19) Uani 1 1 d . . . . .
C88 C 0.4689(7) 0.6619(6) 0.7208(5) 0.040(2) Uani 1 1 d . . . . .
H88 H 0.4352 0.7221 0.6952 0.048 Uiso 1 1 calc R . . . .
C89 C 0.4183(6) 0.6107(5) 0.7741(5) 0.0328(18) Uani 1 1 d . . . . .
C90 C 0.3200(7) 0.6555(5) 0.7867(6) 0.040(2) Uani 1 1 d . . . . .
H90 H 0.2946 0.7159 0.7572 0.048 Uiso 1 1 calc R . . . .
C91 C 0.6263(6) 0.3954(5) 0.8326(5) 0.0301(17) Uani 1 1 d . . . . .
H91 H 0.6918 0.3795 0.8195 0.036 Uiso 1 1 calc R . . . .
C92 C 0.6172(8) 0.6855(7) 0.6454(6) 0.050(3) Uani 1 1 d . . . . .
C93 C 0.3067(6) 0.3404(5) 0.8469(5) 0.0274(16) Uani 1 1 d . . . . .
C94 C 0.2228(6) 0.3892(5) 0.8047(5) 0.0312(17) Uani 1 1 d . . . . .
C96 C 0.2055(6) 0.3604(6) 0.7492(5) 0.0360(19) Uani 1 1 d . . . . .
H96 H 0.1505 0.3952 0.7201 0.043 Uiso 1 1 calc R . . . .
C97 C 0.2642(6) 0.2843(6) 0.7345(5) 0.0348(18) Uani 1 1 d . . . . .
C98 C 0.3429(6) 0.2336(5) 0.7798(5) 0.0316(17) Uani 1 1 d . . . . .
H98 H 0.3831 0.1795 0.7728 0.038 Uiso 1 1 calc R . . . .
C99 C 0.3651(6) 0.2596(5) 0.8359(5) 0.0279(16) Uani 1 1 d . . . . .
C100 C 0.1551(6) 0.4725(6) 0.8103(6) 0.038(2) Uani 1 1 d . . . . .
H100 H 0.0990 0.4972 0.7830 0.046 Uiso 1 1 calc R . . . .
C101 C 0.4524(6) 0.2040(5) 0.8738(4) 0.0279(16) Uani 1 1 d . . . . .
H101 H 0.4799 0.1464 0.8716 0.034 Uiso 1 1 calc R . . . .
C102 C 0.2441(7) 0.2631(6) 0.6665(6) 0.042(2) Uani 1 1 d . . . . .
C103 C 0.3172(9) 0.1764(8) 0.6585(8) 0.060(3) Uani 1 1 d . . . . .
H10D H 0.3797 0.1796 0.6470 0.090 Uiso 1 1 calc GR . . . .
H10E H 0.3020 0.1654 0.6146 0.090 Uiso 1 1 calc GR . . . .
H10F H 0.3166 0.1290 0.7088 0.090 Uiso 1 1 calc GR . . . .
C104 C 0.2441(11) 0.3371(8) 0.5880(6) 0.071(4) Uani 1 1 d . . . . .
H10G H 0.2049 0.3931 0.5958 0.106 Uiso 1 1 calc GR . . . .
H10H H 0.2189 0.3308 0.5462 0.106 Uiso 1 1 calc GR . . . .
H10I H 0.3084 0.3349 0.5714 0.106 Uiso 1 1 calc GR . . . .
C105 C 0.1472(9) 0.2575(9) 0.6806(8) 0.062(3) Uani 1 1 d . . . . .
H10J H 0.1424 0.2153 0.7337 0.093 Uiso 1 1 calc GR . . . .
H10K H 0.1383 0.2388 0.6393 0.093 Uiso 1 1 calc GR . . . .
H10L H 0.0989 0.3149 0.6779 0.093 Uiso 1 1 calc GR . . . .
C106 C 0.0002(6) 0.7408(6) 0.8585(6) 0.0344(19) Uani 1 1 d . . . . .
C107 C -0.0090(6) 0.8045(6) 0.7850(5) 0.0353(19) Uani 1 1 d . . . . .
H107 H 0.0363 0.7919 0.7430 0.042 Uiso 1 1 calc R . . . .
C108 C -0.0801(6) 0.8861(5) 0.7680(5) 0.0309(17) Uani 1 1 d . . . . .
C109 C -0.1491(6) 0.9026(5) 0.8293(5) 0.0320(17) Uani 1 1 d . . . . .
H109 H -0.1991 0.9578 0.8193 0.038 Uiso 1 1 calc R . . . .
C110 C -0.1456(6) 0.8384(5) 0.9054(5) 0.0310(17) Uani 1 1 d . . . . .
C111 C -0.0702(6) 0.7580(6) 0.9182(6) 0.0372(19) Uani 1 1 d . . . . .
H111 H -0.0669 0.7139 0.9691 0.045 Uiso 1 1 calc R . . . .
C112 C -0.0818(6) 0.9546(6) 0.6892(5) 0.0312(17) Uani 1 1 d . . . . .
C113 C 0.0006(6) 0.9475(7) 0.6397(6) 0.043(2) Uani 1 1 d . . . . .
H113 H 0.0571 0.8997 0.6580 0.052 Uiso 1 1 calc R . . . .
C114 C 0.0015(7) 1.0090(7) 0.5642(6) 0.048(2) Uani 1 1 d . . . . .
H114 H 0.0581 1.0029 0.5313 0.058 Uiso 1 1 calc R . . . .
C115 C -0.0809(7) 1.0796(7) 0.5369(6) 0.041(2) Uani 1 1 d . . . . .
C116 C -0.1614(6) 1.0896(6) 0.5870(6) 0.039(2) Uani 1 1 d . . . . .
H116 H -0.2174 1.1388 0.5700 0.047 Uiso 1 1 calc R . . . .
C117 C -0.1603(6) 1.0284(6) 0.6610(5) 0.0342(18) Uani 1 1 d . . . . .
H117 H -0.2162 1.0369 0.6948 0.041 Uiso 1 1 calc R . . . .
C118 C -0.0809(7) 1.1387(7) 0.4553(6) 0.046(2) Uani 1 1 d . . . . .
C119 C -0.2190(6) 0.8563(5) 0.9715(5) 0.0309(17) Uani 1 1 d . . . . .
C120 C -0.3034(6) 0.9277(6) 0.9550(6) 0.0369(19) Uani 1 1 d . . . . .
H120 H -0.3151 0.9656 0.9012 0.044 Uiso 1 1 calc R . . . .
C121 C -0.3693(7) 0.9437(7) 1.0155(7) 0.049(2) Uani 1 1 d . . . . .
H121 H -0.4255 0.9938 1.0040 0.059 Uiso 1 1 calc R . . . .
C122 C -0.3546(7) 0.8871(9) 1.0939(6) 0.056(3) Uani 1 1 d . . . . .
C123 C -0.2717(8) 0.8176(8) 1.1117(7) 0.059(3) Uani 1 1 d . . . . .
H123 H -0.2605 0.7798 1.1655 0.070 Uiso 1 1 calc R . . . .
C124 C -0.2034(8) 0.8030(7) 1.0495(6) 0.051(2) Uani 1 1 d . . . . .
H124 H -0.1452 0.7552 1.0616 0.062 Uiso 1 1 calc R . . . .
C125 C 0.7412(6) 0.0990(5) 0.9891(5) 0.0309(17) Uani 1 1 d . . . . .
C126 C 0.8137(6) 0.0749(5) 0.9321(5) 0.0310(17) Uani 1 1 d . . . . .
H126 H 0.8066 0.1094 0.8770 0.037 Uiso 1 1 calc R . . . .
C127 C 0.8952(6) 0.0022(6) 0.9542(5) 0.0322(18) Uani 1 1 d . . . . .
C128 C 0.9049(6) -0.0504(5) 1.0330(5) 0.0332(18) Uani 1 1 d . . . . .
H128 H 0.9601 -0.1011 1.0477 0.040 Uiso 1 1 calc R . . . .
C129 C 0.8343(6) -0.0300(6) 1.0917(6) 0.0360(19) Uani 1 1 d . . . . .
C130 C 0.7540(6) 0.0438(5) 1.0689(5) 0.0337(18) Uani 1 1 d . . . . .
H130 H 0.7059 0.0575 1.1088 0.040 Uiso 1 1 calc R . . . .
C131 C 0.8446(7) -0.0859(6) 1.1788(5) 0.038(2) Uani 1 1 d . . . . .
C132 C 0.8957(8) -0.1777(7) 1.2021(6) 0.054(3) Uani 1 1 d . . . . .
H132 H 0.9263 -0.2039 1.1618 0.064 Uiso 1 1 calc R . . . .
C133 C 0.9014(9) -0.2273(7) 1.2786(7) 0.059(3) Uani 1 1 d . . . . .
H133 H 0.9373 -0.2880 1.2923 0.071 Uiso 1 1 calc R . . . .
C134 C 0.8556(8) -0.1917(7) 1.3392(6) 0.052(3) Uani 1 1 d . . . . .
C135 C 0.8043(8) -0.1030(7) 1.3189(6) 0.053(3) Uani 1 1 d . . . . .
H135 H 0.7730 -0.0779 1.3597 0.064 Uiso 1 1 calc R . . . .
C136 C 0.7989(7) -0.0508(7) 1.2384(6) 0.046(2) Uani 1 1 d . . . . .
H136 H 0.7631 0.0100 1.2246 0.055 Uiso 1 1 calc R . . . .
C137 C 0.8591(9) -0.2460(9) 1.4227(7) 0.064(3) Uani 1 1 d . . . . .
C138 C 0.9755(6) -0.0191(6) 0.8919(6) 0.0363(19) Uani 1 1 d . . . . .
C139 C 0.9871(7) 0.0478(7) 0.8234(6) 0.045(2) Uani 1 1 d . . . . .
H139 H 0.9441 0.1061 0.8154 0.054 Uiso 1 1 calc R . . . .
C140 C 1.0603(7) 0.0300(7) 0.7675(6) 0.047(2) Uani 1 1 d . . . . .
H140 H 1.0675 0.0757 0.7208 0.056 Uiso 1 1 calc R . . . .
C141 C 1.1241(7) -0.0558(7) 0.7801(6) 0.045(2) Uani 1 1 d . . . . .
C142 C 1.1130(7) -0.1224(7) 0.8481(6) 0.043(2) Uani 1 1 d . . . . .
H142 H 1.1558 -0.1808 0.8569 0.052 Uiso 1 1 calc R . . . .
C143 C 1.0385(7) -0.1021(7) 0.9029(6) 0.042(2) Uani 1 1 d . . . . .
H143 H 1.0310 -0.1475 0.9497 0.050 Uiso 1 1 calc R . . . .
C144 C 1.2008(8) -0.0763(8) 0.7227(7) 0.052(3) Uani 1 1 d . . . . .
B1 B 0.5698(6) 0.9437(6) -0.2210(5) 0.0246(17) Uani 1 1 d . . . . .
B2 B 0.7211(6) 1.1968(6) -0.7452(5) 0.0272(18) Uani 1 1 d . . . . .
B3 B 0.6462(7) 0.1827(6) 0.9654(6) 0.0301(19) Uani 1 1 d . . . . .
B4 B 0.0951(7) 0.6531(6) 0.8766(6) 0.035(2) Uani 1 1 d . . . . .
N18 N -0.483(2) 0.8853(19) 1.2095(17) 0.088(5) Uiso 0.5 1 d . . P B 1
C0AA C 0.647(2) 0.6603(18) 0.5717(18) 0.059(4) Uiso 0.5 1 d . . P C 1
H0AA H 0.6896 0.6891 0.5373 0.088 Uiso 0.5 1 calc GR . P C 1
H0AB H 0.5921 0.6782 0.5426 0.088 Uiso 0.5 1 calc GR . P C 1
H0AC H 0.6802 0.5969 0.5867 0.088 Uiso 0.5 1 calc GR . P C 1
C0BA C 0.335(2) 0.397(2) 1.330(2) 0.073(6) Uiso 0.5 1 d . . P D 1
C1BA C 0.230(2) 0.425(2) 1.366(2) 0.085(6) Uiso 0.5 1 d . . P D 1
H1BA H 0.1958 0.4865 1.3370 0.127 Uiso 0.5 1 calc GR . P D 1
H1BB H 0.2301 0.4177 1.4231 0.127 Uiso 0.5 1 calc GR . P D 1
H1BC H 0.2007 0.3889 1.3614 0.127 Uiso 0.5 1 calc GR . P D 1
C1G C 0.565(2) 0.779(2) 0.630(2) 0.085(7) Uiso 0.5 1 d D . P C 1
H1GA H 0.6003 0.8116 0.5897 0.127 Uiso 0.5 1 calc GR . P C 1
H1GB H 0.5542 0.7920 0.6795 0.127 Uiso 0.5 1 calc GR . P C 1
H1GC H 0.5039 0.7955 0.6090 0.127 Uiso 0.5 1 calc GR . P C 1
C3BA C 0.7148(16) 0.6642(16) 0.6823(15) 0.055(4) Uiso 0.5 1 d D . P C 1
H3BA H 0.7001 0.6806 0.7308 0.082 Uiso 0.5 1 calc GR . P C 1
H3BB H 0.7501 0.6973 0.6424 0.082 Uiso 0.5 1 calc GR . P C 1
H3BC H 0.7527 0.6017 0.6958 0.082 Uiso 0.5 1 calc GR . P C 1
C6AA C -0.4254(17) 0.8844(17) 1.1595(15) 0.054(4) Uiso 0.5 1 d . . P B 1
C7AA C 0.399(3) 0.462(3) 1.315(2) 0.097(8) Uiso 0.5 1 d . . P D 1
H7AA H 0.4513 0.4494 1.2754 0.146 Uiso 0.5 1 calc GR . P D 1
H7AB H 0.4236 0.4496 1.3659 0.146 Uiso 0.5 1 calc GR . P D 1
H7AC H 0.3580 0.5236 1.2954 0.146 Uiso 0.5 1 calc GR . P D 1
C9AA C 0.3820(18) 0.3049(17) 1.3873(16) 0.056(4) Uiso 0.5 1 d . . P D 1
H9AA H 0.4491 0.2826 1.3716 0.084 Uiso 0.5 1 calc GR . P D 1
H9AB H 0.3532 0.2667 1.3848 0.084 Uiso 0.5 1 calc GR . P D 1
H9AC H 0.3740 0.3061 1.4422 0.084 Uiso 0.5 1 calc GR . P D 1
C21 C 1.1192(16) 0.6919(15) -0.5246(13) 0.051(4) Uiso 0.5 1 d . . P E 1
H21A H 1.0699 0.6734 -0.5282 0.077 Uiso 0.5 1 calc GR . P E 1
H21B H 1.1798 0.6431 -0.5197 0.077 Uiso 0.5 1 calc GR . P E 1
H21C H 1.1218 0.7405 -0.5731 0.077 Uiso 0.5 1 calc GR . P E 1
C21A C 1.1062(18) 0.6468(16) -0.3746(16) 0.061(4) Uiso 0.5 1 d . . P E 1
H21D H 1.1086 0.6644 -0.3300 0.091 Uiso 0.5 1 calc GR . P E 1
H21E H 1.1640 0.5974 -0.3783 0.091 Uiso 0.5 1 calc GR . P E 1
H21F H 1.0521 0.6298 -0.3652 0.091 Uiso 0.5 1 calc GR . P E 1
C23 C 1.1708(19) 0.7559(19) -0.4531(18) 0.069(5) Uiso 0.5 1 d . . P E 1
H23A H 1.1713 0.8015 -0.5049 0.103 Uiso 0.5 1 calc GR . P E 1
H23B H 1.2326 0.7085 -0.4464 0.103 Uiso 0.5 1 calc GR . P E 1
H23C H 1.1562 0.7803 -0.4096 0.103 Uiso 0.5 1 calc GR . P E 1
C33 C 0.362(2) 0.8458(15) -0.5586(18) 0.106(11) Uiso 0.5 1 d D U P A 1
H33A H 0.4124 0.8199 -0.5940 0.159 Uiso 0.5 1 calc GR . P A 1
H33B H 0.3128 0.8220 -0.5482 0.159 Uiso 0.5 1 calc GR . P A 1
H33C H 0.3872 0.8321 -0.5077 0.159 Uiso 0.5 1 calc GR . P A 1
C34 C 0.2206(14) 0.9776(18) -0.5578(15) 0.079(8) Uiso 0.5 1 d D U P A 1
H34A H 0.2209 0.9437 -0.5005 0.119 Uiso 0.5 1 calc GR . P A 1
H34B H 0.1754 0.9714 -0.5831 0.119 Uiso 0.5 1 calc GR . P A 1
H34C H 0.2026 1.0391 -0.5645 0.119 Uiso 0.5 1 calc GR . P A 1
C35 C 0.3174(17) 0.9688(17) -0.6859(10) 0.060(6) Uiso 0.5 1 d D U P A 2
H35A H 0.3346 1.0130 -0.7311 0.089 Uiso 0.5 1 calc DGR . P A 2
H35B H 0.2653 0.9608 -0.6997 0.089 Uiso 0.5 1 calc GR . P A 2
H35C H 0.3716 0.9136 -0.6739 0.089 Uiso 0.5 1 calc GR . P A 2
C78 C 0.4053(14) 0.3312(13) 1.2159(12) 0.037(3) Uiso 0.5 1 d . . P D 1
H78 H 0.4506 0.2844 1.2514 0.044 Uiso 0.5 1 calc R . P D 1
C79 C 0.3259(15) 0.3868(14) 1.2474(13) 0.045(3) Uiso 0.5 1 d . . P D 1
C80 C 0.2559(14) 0.4427(13) 1.1961(12) 0.038(3) Uiso 0.5 1 d . . P D 1
H80 H 0.1954 0.4699 1.2182 0.046 Uiso 0.5 1 calc R . P D 1
N18A N -0.4697(19) 0.9296(19) 1.2095(17) 0.088(5) Uiso 0.5 1 d . . P B 2
C1H C 0.675(2) 0.6375(18) 0.5820(18) 0.059(4) Uiso 0.5 1 d . . P C 2
H1HA H 0.7096 0.6718 0.5425 0.088 Uiso 0.5 1 calc GR . P C 2
H1HB H 0.6318 0.6315 0.5545 0.088 Uiso 0.5 1 calc GR . P C 2
H1HC H 0.7196 0.5796 0.6099 0.088 Uiso 0.5 1 calc GR . P C 2
C1I C -0.4195(17) 0.9196(17) 1.1552(15) 0.054(4) Uiso 0.5 1 d . . P B 2
C3BB C 0.6740(18) 0.6982(17) 0.6886(14) 0.055(4) Uiso 0.5 1 d . . P C 2
H3BD H 0.7074 0.6425 0.7284 0.082 Uiso 0.5 1 calc GR . P C 2
H3BE H 0.6340 0.7402 0.7158 0.082 Uiso 0.5 1 calc GR . P C 2
H3BF H 0.7196 0.7205 0.6510 0.082 Uiso 0.5 1 calc GR . P C 2
C22 C 1.0825(18) 0.6354(16) -0.4093(16) 0.061(4) Uiso 0.5 1 d . . P E 2
H22A H 1.0573 0.6314 -0.3540 0.091 Uiso 0.5 1 calc GR . P E 2
H22B H 1.1426 0.5868 -0.4087 0.091 Uiso 0.5 1 calc GR . P E 2
H22C H 1.0380 0.6329 -0.4384 0.091 Uiso 0.5 1 calc GR . P E 2
C22A C 1.1578(19) 0.7257(19) -0.3990(18) 0.069(5) Uiso 0.5 1 d . . P E 2
H22D H 1.1709 0.7792 -0.4251 0.103 Uiso 0.5 1 calc GR . P E 2
H22E H 1.2170 0.6750 -0.3917 0.103 Uiso 0.5 1 calc GR . P E 2
H22F H 1.1248 0.7258 -0.3466 0.103 Uiso 0.5 1 calc GR . P E 2
C23A C 1.1530(16) 0.7267(15) -0.5362(14) 0.051(4) Uiso 0.5 1 d . . P E 2
H23D H 1.1157 0.7251 -0.5725 0.077 Uiso 0.5 1 calc GR . P E 2
H23E H 1.2132 0.6773 -0.5300 0.077 Uiso 0.5 1 calc GR . P E 2
H23F H 1.1641 0.7813 -0.5585 0.077 Uiso 0.5 1 calc GR . P E 2
C66A C 0.2715(14) 0.4722(13) 1.1868(12) 0.038(3) Uiso 0.5 1 d . . P D 2
H66A H 0.2221 0.5180 1.2021 0.046 Uiso 0.5 1 calc R . P D 2
C67A C 0.3454(15) 0.4162(14) 1.2373(13) 0.045(3) Uiso 0.5 1 d . . P D 2
C68A C 0.4236(14) 0.3526(13) 1.2070(12) 0.037(3) Uiso 0.5 1 d . . P D 2
H68A H 0.4780 0.3176 1.2369 0.044 Uiso 0.5 1 calc R . P D 2
C72A C 0.354(2) 0.424(2) 1.320(2) 0.073(6) Uiso 0.5 1 d . . P D 2
C73A C 0.257(2) 0.465(2) 1.354(2) 0.085(6) Uiso 0.5 1 d . . P D 2
H73A H 0.2618 0.4697 1.4056 0.127 Uiso 0.5 1 calc GR . P D 2
H73B H 0.2206 0.4289 1.3631 0.127 Uiso 0.5 1 calc GR . P D 2
H73C H 0.2255 0.5233 1.3169 0.127 Uiso 0.5 1 calc GR . P D 2
C74A C 0.441(3) 0.467(3) 1.295(2) 0.097(8) Uiso 0.5 1 d . . P D 2
H74A H 0.4850 0.4460 1.2533 0.146 Uiso 0.5 1 calc GR . P D 2
H74B H 0.4747 0.4483 1.3426 0.146 Uiso 0.5 1 calc GR . P D 2
H74C H 0.4123 0.5306 1.2746 0.146 Uiso 0.5 1 calc GR . P D 2
C75A C 0.3891(18) 0.3384(17) 1.3811(16) 0.056(4) Uiso 0.5 1 d . . P D 2
H75A H 0.3870 0.3458 1.4326 0.084 Uiso 0.5 1 calc GR . P D 2
H75B H 0.4539 0.3061 1.3659 0.084 Uiso 0.5 1 calc GR . P D 2
H75C H 0.3497 0.3060 1.3861 0.084 Uiso 0.5 1 calc GR . P D 2
C147 C 0.542(2) 0.780(2) 0.600(2) 0.085(7) Uiso 0.5 1 d . . P C 2
H14A H 0.5735 0.8207 0.5730 0.127 Uiso 0.5 1 calc GR . P C 2
H14B H 0.4939 0.8009 0.6399 0.127 Uiso 0.5 1 calc GR . P C 2
H14C H 0.5116 0.7747 0.5610 0.127 Uiso 0.5 1 calc GR . P C 2
O3S O 1.0037(14) 0.6091(12) 0.1929(12) 0.077(5) Uani 0.5 1 d . U P . .
O2S O 0.7923(15) 0.3844(12) 0.6608(13) 0.083(5) Uani 0.5 1 d D U P . .
O1S O 0.893(2) 0.277(2) 0.720(2) 0.169(13) Uani 0.5 1 d D U P . .
O4S O 0.873(2) 0.6077(18) 0.2113(16) 0.117(8) Uani 0.5 1 d . U P . .
N2S N 0.9546(14) 0.5723(14) 0.2118(12) 0.059(5) Uani 0.5 1 d . . P . .
N1S N 0.8180(18) 0.3120(18) 0.6874(15) 0.077(6) Uani 0.5 1 d . U P . .
C1S C 0.7582(15) 0.2611(14) 0.6998(14) 0.050(5) Uani 0.5 1 d . . P . .
H1SA H 0.7382 0.2420 0.7568 0.075 Uiso 0.5 1 calc GR . P . .
H1SB H 0.7943 0.2100 0.6828 0.075 Uiso 0.5 1 calc GR . P . .
H1SC H 0.7029 0.2978 0.6681 0.075 Uiso 0.5 1 calc GR . P . .
C2S C 0.991(3) 0.475(2) 0.238(2) 0.093(10) Uani 0.5 1 d . U P . .
H2SA H 0.9887 0.4568 0.1944 0.140 Uiso 0.5 1 calc GR . P . .
H2SB H 0.9516 0.4539 0.2846 0.140 Uiso 0.5 1 calc GR . P . .
H2SC H 1.0556 0.4515 0.2536 0.140 Uiso 0.5 1 calc GR . P . .
N4S N 0.633(3) 0.562(2) 0.317(2) 0.106(9) Uani 0.5 1 d . U P . .
O8S O 0.694(2) 0.495(2) 0.3294(18) 0.129(9) Uani 0.5 1 d . U P . .
O7S O 0.560(3) 0.574(2) 0.321(2) 0.157(12) Uani 0.5 1 d . U P . .
C4S C 0.663(4) 0.640(4) 0.257(4) 0.18(2) Uani 0.5 1 d . U P . .
H4SA H 0.7313 0.6203 0.2520 0.270 Uiso 0.5 1 calc GR . P . .
H4SB H 0.6364 0.6886 0.2781 0.270 Uiso 0.5 1 calc GR . P . .
H4SC H 0.6387 0.6587 0.2043 0.270 Uiso 0.5 1 calc GR . P . .
O13S O 0.9199(5) 0.6266(5) -0.2174(5) 0.0569(19) Uani 1 1 d . . . . .
H13S H 0.9619 0.6417 -0.2125 0.085 Uiso 1 1 calc GR . . . .
C8S C 0.8530(8) 0.6336(9) -0.1549(7) 0.062(3) Uani 1 1 d . . . . .
H8SA H 0.7960 0.6327 -0.1682 0.092 Uiso 1 1 calc GR . . . .
H8SB H 0.8382 0.6884 -0.1457 0.092 Uiso 1 1 calc GR . . . .
H8SC H 0.8771 0.5845 -0.1061 0.092 Uiso 1 1 calc GR . . . .
N6S N 1.0297(18) 0.4227(17) 0.0226(15) 0.075(6) Uani 0.5 1 d . U P . .
O11S O 0.9828(18) 0.4277(17) -0.0154(15) 0.108(8) Uani 0.5 1 d D U P . .
O12S O 1.0084(17) 0.4771(16) 0.0514(15) 0.108(7) Uani 0.5 1 d D U P . .
C6S C 1.111(3) 0.369(3) 0.029(3) 0.129(14) Uani 0.5 1 d D U P . .
H6SA H 1.1264 0.3404 -0.0122 0.194 Uiso 0.5 1 calc GR . P . .
H6SB H 1.1176 0.3244 0.0821 0.194 Uiso 0.5 1 calc GR . P . .
H6SC H 1.1547 0.3980 0.0206 0.194 Uiso 0.5 1 calc GR . P . .
N10S N 0.959(2) 0.5235(19) 0.4487(15) 0.094(8) Uani 0.5 1 d D U P . .
N9S N 0.271(2) 0.751(2) 0.030(2) 0.109(9) Uani 0.5 1 d D U P . .
O1AA O 1.001(2) 0.550(2) 0.3916(17) 0.147(11) Uani 0.5 1 d D U P . .
O14S O 0.344(3) 0.716(3) 0.064(3) 0.200(17) Uani 0.5 1 d D U P . .
O18S O 0.974(3) 0.486(3) 0.5186(18) 0.22(2) Uani 0.5 1 d D U P . .
O15S O 0.246(3) 0.832(2) -0.011(3) 0.197(16) Uani 0.5 1 d D U P . .
C9S C 0.226(3) 0.702(3) 0.026(3) 0.129(15) Uani 0.5 1 d D U P . .
H9SA H 0.2715 0.6439 0.0289 0.194 Uiso 0.5 1 calc GR . P . .
H9SB H 0.1952 0.7300 -0.0250 0.194 Uiso 0.5 1 calc GR . P . .
H9SC H 0.1788 0.6984 0.0707 0.194 Uiso 0.5 1 calc GR . P . .
C10S C 0.869(2) 0.544(3) 0.436(2) 0.114(12) Uani 0.5 1 d D U P . .
H10M H 0.8284 0.5970 0.4486 0.170 Uiso 0.5 1 calc GR . P . .
H10N H 0.8487 0.4957 0.4710 0.170 Uiso 0.5 1 calc GR . P . .
H10O H 0.8635 0.5529 0.3799 0.170 Uiso 0.5 1 calc GR . P . .
O0AA O 0.3170(16) 1.2261(14) 0.0765(14) 0.093(6) Uani 0.5 1 d D U P . .
H0AD H 0.2905 1.2569 0.1063 0.140 Uiso 0.5 1 calc GR . P . .
C16S C 0.395(2) 1.1476(19) 0.118(2) 0.093(9) Uani 0.5 1 d D U P . .
H16A H 0.4313 1.1157 0.0809 0.140 Uiso 0.5 1 calc GR . P . .
H16B H 0.3702 1.1101 0.1643 0.140 Uiso 0.5 1 calc GR . P . .
H16C H 0.4364 1.1652 0.1365 0.140 Uiso 0.5 1 calc GR . P . .
C32A C 0.284(2) 1.0020(19) -0.6038(16) 0.066(6) Uiso 0.5 1 d . U P A 2
C35A C 0.2917(18) 1.0108(17) -0.6875(12) 0.057(6) Uiso 0.5 1 d D U P A 1
H35D H 0.2387 1.0051 -0.7022 0.086 Uiso 0.5 1 calc GR . P A 1
H35E H 0.3452 0.9977 -0.7260 0.086 Uiso 0.5 1 calc DGR . P A 1
H35F H 0.2738 1.0706 -0.6882 0.086 Uiso 0.5 1 calc GR . P A 1
C34A C 0.188(3) 1.062(3) -0.583(2) 0.107(12) Uiso 0.5 1 d . U P A 2
H34D H 0.1754 1.0434 -0.5248 0.160 Uiso 0.5 1 calc GR . P A 2
H34E H 0.1405 1.0606 -0.6091 0.160 Uiso 0.5 1 calc GR . P A 2
H34F H 0.1871 1.1218 -0.6019 0.160 Uiso 0.5 1 calc GR . P A 2
C33A C 0.280(3) 0.920(3) -0.550(2) 0.107(11) Uiso 0.5 1 d . U P A 2
H33D H 0.3267 0.8730 -0.5679 0.160 Uiso 0.5 1 calc GR . P A 2
H33E H 0.2171 0.9205 -0.5487 0.160 Uiso 0.5 1 calc GR . P A 2
H33F H 0.2929 0.9121 -0.4958 0.160 Uiso 0.5 1 calc GR . 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
Ag1 O7 2.390(5) 1_564 ?
Ag1 N9 2.174(7) . ?
Ag1 N10 2.170(8) 1_465 ?
Ag2 O6 2.587(6) 1_456 ?
Ag2 N7 2.266(10) . ?
Ag2 N8 2.250(9) 1_465 ?
Ag2 N17 2.325(10) . ?
Zn1 Zn2 2.9210(11) . ?
Zn1 O2 2.106(5) . ?
Zn1 O5 2.086(5) . ?
Zn1 O8 2.105(6) . ?
Zn1 N1 2.119(6) . ?
Zn1 N3 2.104(6) . ?
Zn1 N5 2.109(6) . ?
Zn2 O2 2.087(5) . ?
Zn2 O5 2.080(5) . ?
Zn2 O8 2.101(6) . ?
Zn2 N2 2.113(7) . ?
Zn2 N4 2.125(6) . ?
Zn2 N6 2.094(7) . ?
Zn3 Zn4 2.9346(12) . ?
Zn3 O11 2.054(5) . ?
Zn3 O14 2.143(6) . ?
Zn3 O17 2.138(6) . ?
Zn3 N12 2.116(7) . ?
Zn3 N14 2.084(7) . ?
Zn3 N16 2.110(7) . ?
Zn4 O11 2.091(6) . ?
Zn4 O14 2.064(6) . ?
Zn4 O17 2.116(6) . ?
Zn4 N11 2.089(8) . ?
Zn4 N13 2.123(8) . ?
Zn4 N15 2.116(7) . ?
O1 N1 1.402(8) . ?
O1 B1 1.478(10) . ?
O2 C1 1.313(9) . ?
O3 N2 1.398(8) . ?
O3 B2 1.458(10) . ?
O4 N3 1.392(8) . ?
O4 B1 1.466(10) . ?
O5 C13 1.301(9) . ?
O6 Ag2 2.587(6) 1_654 ?
O6 N4 1.413(8) . ?
O6 B2 1.496(11) . ?
O7 Ag1 2.390(5) 1_546 ?
O7 N5 1.416(8) . ?
O7 B1 1.521(10) . ?
O8 C24 1.275(10) . ?
O9 N6 1.396(8) . ?
O9 B2 1.514(12) . ?
O10 N11 1.408(10) . ?
O10 B4 1.469(13) . ?
O11 C84 1.319(9) . ?
O12 N12 1.402(9) . ?
O12 B3 1.474(11) . ?
O13 N13 1.409(10) . ?
O13 B4 1.448(13) . ?
O14 C76 1.299(10) . ?
O15 N14 1.387(9) . ?
O15 B3 1.468(11) . ?
O16 N15 1.398(9) . ?
O16 B4 1.477(12) . ?
O17 C93 1.311(10) . ?
O18 N16 1.399(8) . ?
O18 B3 1.489(12) . ?
N1 C7 1.269(10) . ?
N2 C8 1.255(11) . ?
N3 C19 1.291(10) . ?
N4 C20 1.274(10) . ?
N5 C30 1.283(11) . ?
N6 C31 1.266(12) . ?
N7 C48 1.157(14) . ?
N8 Ag2 2.250(9) 1_645 ?
N8 C55 1.134(13) . ?
N9 C68 1.137(11) . ?
N10 Ag1 2.170(7) 1_645 ?
N10 C75 1.140(11) . ?
N11 C90 1.287(12) . ?
N12 C91 1.295(10) . ?
N13 C83 1.257(12) . ?
N14 C82 1.287(11) . ?
N15 C100 1.283(11) . ?
N16 C101 1.289(11) . ?
N17 C118 1.124(13) . ?
N19 C144 1.123(14) . ?
N20 C137 1.158(15) . ?
C1 C2 1.411(10) . ?
C1 C6 1.423(11) . ?
C2 C3 1.401(11) . ?
C2 C7 1.434(11) . ?
C2BA C16 1.542(11) . ?
C2BA C21 1.53(2) . ?
C2BA C21A 1.48(3) . ?
C2BA C23 1.51(3) . ?
C2BA C22 1.52(3) . ?
C2BA C22A 1.51(3) . ?
C2BA C23A 1.60(2) . ?
C3 H3 0.9500 . ?
C3 C4 1.372(12) . ?
C4 C5 1.391(12) . ?
C4 C9 1.536(11) . ?
C5 H5 0.9500 . ?
C5 C6 1.386(11) . ?
C6 C8 1.453(11) . ?
C7 H7 0.9500 . ?
C8 H8 0.9500 . ?
C9 C10 1.530(15) . ?
C9 C11 1.544(16) . ?
C9 C12 1.500(17) . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
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 C14 1.418(10) . ?
C13 C18 1.443(10) . ?
C14 C15 1.390(11) . ?
C14 C19 1.466(10) . ?
C15 H15 0.9500 . ?
C15 C16 1.380(11) . ?
C16 C17 1.402(12) . ?
C17 H17 0.9500 . ?
C17 C18 1.392(11) . ?
C18 C20 1.448(11) . ?
C19 H19 0.9500 . ?
C20 H20 0.9500 . ?
C24 C25 1.410(12) . ?
C24 C29 1.435(12) . ?
C25 C26 1.405(15) . ?
C25 C31 1.469(12) . ?
C26 H26 0.9500 . ?
C26 C27 1.394(17) . ?
C27 C28 1.428(18) . ?
C27 C32 1.66(3) . ?
C27 C32A 1.50(3) . ?
C28 C29 1.389(15) . ?
C29 C30 1.462(12) . ?
C30 H30 0.9500 . ?
C31 H31 0.9500 . ?
C32 C33 1.51(2) . ?
C32 C34 1.56(2) . ?
C32 C35A 1.62(2) . ?
C36 C37 1.404(11) . ?
C36 C41 1.382(11) . ?
C36 B1 1.626(11) . ?
C37 H37 0.9500 . ?
C37 C38 1.393(11) . ?
C38 C39 1.401(12) . ?
C38 C42 1.554(11) . ?
C39 H39 0.9500 . ?
C39 C40 1.389(12) . ?
C40 C41 1.383(11) . ?
C40 C49 1.558(11) . ?
C41 H41 0.9500 . ?
C42 C43 1.358(12) . ?
C42 C47 1.313(14) . ?
C43 H43 0.9500 . ?
C43 C44 1.371(15) . ?
C44 H44 0.9500 . ?
C44 C45 1.434(16) . ?
C45 C46 1.349(16) . ?
C45 C48 1.425(14) . ?
C46 H46 0.9500 . ?
C46 C47 1.400(14) . ?
C47 H47 0.9500 . ?
C49 C50 1.357(13) . ?
C49 C54 1.350(13) . ?
C50 H50 0.9500 . ?
C50 C51 1.413(13) . ?
C51 H51 0.9500 . ?
C51 C52 1.369(14) . ?
C52 C53 1.394(15) . ?
C52 C55 1.438(13) . ?
C53 H53 0.9500 . ?
C53 C54 1.411(13) . ?
C54 H54 0.9500 . ?
C56 C57 1.385(10) . ?
C56 C61 1.400(11) . ?
C56 B2 1.608(11) . ?
C57 H57 0.9500 . ?
C57 C58 1.399(10) . ?
C58 C59 1.381(11) . ?
C58 C69 1.495(11) . ?
C59 H59 0.9500 . ?
C59 C60 1.419(10) . ?
C60 C61 1.383(10) . ?
C60 C62 1.467(10) . ?
C61 H61 0.9500 . ?
C62 C63 1.396(11) . ?
C62 C67 1.400(11) . ?
C63 H63 0.9500 . ?
C63 C64 1.381(11) . ?
C64 H64 0.9500 . ?
C64 C65 1.387(12) . ?
C65 C66 1.394(11) . ?
C65 C68 1.444(11) . ?
C66 H66 0.9500 . ?
C66 C67 1.383(12) . ?
C67 H67 0.9500 . ?
C69 C70 1.384(11) . ?
C69 C74 1.374(12) . ?
C70 H70 0.9500 . ?
C70 C71 1.391(11) . ?
C71 H71 0.9500 . ?
C71 C72 1.380(12) . ?
C72 C73 1.371(13) . ?
C72 C75 1.453(11) . ?
C73 H73 0.9500 . ?
C73 C74 1.401(12) . ?
C74 H74 0.9500 . ?
C76 C77 1.417(12) . ?
C76 C81 1.423(12) . ?
C77 C82 1.453(12) . ?
C77 C78 1.38(2) . ?
C77 C68A 1.40(2) . ?
C81 C83 1.443(13) . ?
C81 C80 1.40(2) . ?
C81 C66A 1.43(2) . ?
C82 H82 0.9500 . ?
C83 H83 0.9500 . ?
C84 C85 1.417(12) . ?
C84 C89 1.426(11) . ?
C85 C86 1.395(11) . ?
C85 C91 1.454(11) . ?
C86 H86 0.9500 . ?
C86 C87 1.400(12) . ?
C87 C88 1.376(14) . ?
C87 C92 1.537(12) . ?
C88 H88 0.9500 . ?
C88 C89 1.418(12) . ?
C89 C90 1.428(13) . ?
C90 H90 0.9500 . ?
C91 H91 0.9500 . ?
C92 C0AA 1.49(3) . ?
C92 C1G 1.46(3) . ?
C92 C3BA 1.64(2) . ?
C92 C1H 1.59(3) . ?
C92 C3BB 1.43(3) . ?
C92 C147 1.61(4) . ?
C93 C94 1.425(12) . ?
C93 C99 1.419(11) . ?
C94 C96 1.401(12) . ?
C94 C100 1.452(12) . ?
C96 H96 0.9500 . ?
C96 C97 1.378(12) . ?
C97 C98 1.393(12) . ?
C97 C102 1.536(12) . ?
C98 H98 0.9500 . ?
C98 C99 1.414(11) . ?
C99 C101 1.439(11) . ?
C100 H100 0.9500 . ?
C101 H101 0.9500 . ?
C102 C103 1.536(14) . ?
C102 C104 1.528(15) . ?
C102 C105 1.527(16) . ?
C103 H10D 0.9800 . ?
C103 H10E 0.9800 . ?
C103 H10F 0.9800 . ?
C104 H10G 0.9800 . ?
C104 H10H 0.9800 . ?
C104 H10I 0.9800 . ?
C105 H10J 0.9800 . ?
C105 H10K 0.9800 . ?
C105 H10L 0.9800 . ?
C106 C107 1.367(13) . ?
C106 C111 1.398(13) . ?
C106 B4 1.629(13) . ?
C107 H107 0.9500 . ?
C107 C108 1.385(12) . ?
C108 C109 1.402(12) . ?
C108 C112 1.479(12) . ?
C109 H109 0.9500 . ?
C109 C110 1.410(12) . ?
C110 C111 1.401(12) . ?
C110 C119 1.505(12) . ?
C111 H111 0.9500 . ?
C112 C113 1.399(12) . ?
C112 C117 1.384(12) . ?
C113 H113 0.9500 . ?
C113 C114 1.389(14) . ?
C114 H114 0.9500 . ?
C114 C115 1.394(14) . ?
C115 C116 1.380(13) . ?
C115 C118 1.450(14) . ?
C116 H116 0.9500 . ?
C116 C117 1.365(13) . ?
C117 H117 0.9500 . ?
C119 C120 1.393(12) . ?
C119 C124 1.370(13) . ?
C120 H120 0.9500 . ?
C120 C121 1.367(14) . ?
C121 H121 0.9500 . ?
C121 C122 1.389(15) . ?
C122 C123 1.365(16) . ?
C122 C6AA 1.45(3) . ?
C122 C1I 1.46(3) . ?
C123 H123 0.9500 . ?
C123 C124 1.403(15) . ?
C124 H124 0.9500 . ?
C125 C126 1.407(11) . ?
C125 C130 1.400(12) . ?
C125 B3 1.602(12) . ?
C126 H126 0.9500 . ?
C126 C127 1.386(12) . ?
C127 C128 1.371(12) . ?
C127 C138 1.528(12) . ?
C128 H128 0.9500 . ?
C128 C129 1.397(12) . ?
C129 C130 1.386(12) . ?
C129 C131 1.506(13) . ?
C130 H130 0.9500 . ?
C131 C132 1.426(13) . ?
C131 C136 1.373(13) . ?
C132 H132 0.9500 . ?
C132 C133 1.324(15) . ?
C133 H133 0.9500 . ?
C133 C134 1.393(16) . ?
C134 C135 1.383(15) . ?
C134 C137 1.446(16) . ?
C135 H135 0.9500 . ?
C135 C136 1.394(14) . ?
C136 H136 0.9500 . ?
C138 C139 1.399(14) . ?
C138 C143 1.362(13) . ?
C139 H139 0.9500 . ?
C139 C140 1.377(14) . ?
C140 H140 0.9500 . ?
C140 C141 1.400(15) . ?
C141 C142 1.388(14) . ?
C141 C144 1.435(14) . ?
C142 H142 0.9500 . ?
C142 C143 1.384(13) . ?
C143 H143 0.9500 . ?
N18 C6AA 1.14(3) . ?
C0AA H0AA 0.9800 . ?
C0AA H0AB 0.9800 . ?
C0AA H0AC 0.9800 . ?
C0BA C1BA 1.58(4) . ?
C0BA C7AA 1.75(5) . ?
C0BA C9AA 1.53(4) . ?
C0BA C79 1.61(4) . ?
C1BA H1BA 0.9800 . ?
C1BA H1BB 0.9800 . ?
C1BA H1BC 0.9800 . ?
C1G H1GA 0.9800 . ?
C1G H1GB 0.9800 . ?
C1G H1GC 0.9800 . ?
C3BA H3BA 0.9800 . ?
C3BA H3BB 0.9800 . ?
C3BA H3BC 0.9800 . ?
C7AA H7AA 0.9809 . ?
C7AA H7AB 0.9809 . ?
C7AA H7AC 0.9809 . ?
C9AA H9AA 0.9802 . ?
C9AA H9AB 0.9802 . ?
C9AA H9AC 0.9802 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C21A H21D 0.9800 . ?
C21A H21E 0.9800 . ?
C21A H21F 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C33 H33A 0.9816 . ?
C33 H33B 0.9815 . ?
C33 H33C 0.9816 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C35 C32A 1.70(3) . ?
C78 H78 0.9500 . ?
C78 C79 1.40(3) . ?
C79 C80 1.37(3) . ?
C80 H80 0.9500 . ?
N18A C1I 1.14(3) . ?
C1H H1HA 0.9800 . ?
C1H H1HB 0.9800 . ?
C1H H1HC 0.9800 . ?
C3BB H3BD 0.9800 . ?
C3BB H3BE 0.9800 . ?
C3BB H3BF 0.9800 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C22A H22D 0.9800 . ?
C22A H22E 0.9800 . ?
C22A H22F 0.9800 . ?
C23A H23D 0.9800 . ?
C23A H23E 0.9800 . ?
C23A H23F 0.9800 . ?
C66A H66A 0.9500 . ?
C66A C67A 1.40(3) . ?
C67A C68A 1.46(3) . ?
C67A C72A 1.58(4) . ?
C68A H68A 0.9500 . ?
C72A C73A 1.51(4) . ?
C72A C74A 1.73(5) . ?
C72A C75A 1.46(4) . ?
C73A H73A 0.9800 . ?
C73A H73B 0.9800 . ?
C73A H73C 0.9800 . ?
C74A H74A 0.9911 . ?
C74A H74B 0.9912 . ?
C74A H74C 0.9911 . ?
C75A H75A 0.9802 . ?
C75A H75B 0.9802 . ?
C75A H75C 0.9802 . ?
C147 H14A 0.9801 . ?
C147 H14B 0.9801 . ?
C147 H14C 0.9801 . ?
O3S N2S 1.13(3) . ?
O2S N1S 1.12(3) . ?
O1S N1S 1.23(3) . ?
O4S N2S 1.18(3) . ?
N2S C2S 1.49(4) . ?
N1S C1S 1.49(3) . ?
C1S H1SA 0.9800 . ?
C1S H1SB 0.9800 . ?
C1S H1SC 0.9800 . ?
C2S H2SA 0.9800 . ?
C2S H2SB 0.9800 . ?
C2S H2SC 0.9800 . ?
N4S O8S 1.16(4) . ?
N4S O7S 1.06(4) . ?
N4S C4S 1.58(6) . ?
C4S H4SA 0.9894 . ?
C4S H4SB 0.9897 . ?
C4S H4SC 0.9894 . ?
O13S H13S 0.8400 . ?
O13S C8S 1.378(13) . ?
C8S H8SA 0.9800 . ?
C8S H8SB 0.9800 . ?
C8S H8SC 0.9800 . ?
N6S O11S 1.06(3) . ?
N6S O12S 1.17(3) . ?
N6S C6S 1.24(5) . ?
C6S H6SA 0.9832 . ?
C6S H6SB 0.9833 . ?
C6S H6SC 0.9833 . ?
N10S O1AA 1.15(2) . ?
N10S O18S 1.20(2) . ?
N10S C10S 1.36(2) . ?
N9S O14S 1.22(4) . ?
N9S O15S 1.27(4) . ?
N9S C9S 1.36(2) . ?
C9S H9SA 0.9993 . ?
C9S H9SB 0.9988 . ?
C9S H9SC 0.9987 . ?
C10S H10M 0.9800 . ?
C10S H10N 0.9800 . ?
C10S H10O 0.9800 . ?
O0AA H0AD 0.8771 . ?
O0AA C16S 1.48(2) . ?
C16S H16A 0.9800 . ?
C16S H16B 0.9800 . ?
C16S H16C 0.9800 . ?
C32A C34A 1.51(5) . ?
C32A C33A 1.43(4) . ?
C35A H35D 0.9800 . ?
C35A H35E 0.9800 . ?
C35A H35F 0.9800 . ?
C34A H34D 0.9800 . ?
C34A H34E 0.9800 . ?
C34A H34F 0.9800 . ?
C33A H33D 0.9800 . ?
C33A H33E 0.9800 . ?
C33A H33F 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
N9 Ag1 O7 108.3(3) . 1_564 ?
N10 Ag1 O7 115.7(3) 1_465 1_564 ?
N10 Ag1 N9 136.0(3) 1_465 . ?
N7 Ag2 O6 106.7(3) . 1_456 ?
N7 Ag2 N17 117.1(4) . . ?
N8 Ag2 O6 111.9(3) 1_465 1_456 ?
N8 Ag2 N7 122.0(4) 1_465 . ?
N8 Ag2 N17 109.2(4) 1_465 . ?
N17 Ag2 O6 83.0(3) . 1_456 ?
O2 Zn1 Zn2 45.58(14) . . ?
O2 Zn1 N1 81.5(2) . . ?
O2 Zn1 N5 133.4(2) . . ?
O5 Zn1 Zn2 45.39(14) . . ?
O5 Zn1 O2 76.2(2) . . ?
O5 Zn1 O8 76.8(2) . . ?
O5 Zn1 N1 135.1(2) . . ?
O5 Zn1 N3 83.5(2) . . ?
O5 Zn1 N5 137.8(2) . . ?
O8 Zn1 Zn2 45.95(15) . . ?
O8 Zn1 O2 76.5(2) . . ?
O8 Zn1 N1 134.4(2) . . ?
O8 Zn1 N5 82.2(2) . . ?
N1 Zn1 Zn2 127.07(17) . . ?
N3 Zn1 Zn2 128.84(17) . . ?
N3 Zn1 O2 137.3(2) . . ?
N3 Zn1 O8 134.5(3) . . ?
N3 Zn1 N1 87.5(2) . . ?
N3 Zn1 N5 85.8(2) . . ?
N5 Zn1 Zn2 128.16(17) . . ?
N5 Zn1 N1 84.8(2) . . ?
O2 Zn2 Zn1 46.12(14) . . ?
O2 Zn2 O8 77.0(2) . . ?
O2 Zn2 N2 83.0(2) . . ?
O2 Zn2 N4 127.9(2) . . ?
O2 Zn2 N6 144.3(2) . . ?
O5 Zn2 Zn1 45.56(14) . . ?
O5 Zn2 O2 76.7(2) . . ?
O5 Zn2 O8 77.1(2) . . ?
O5 Zn2 N2 144.0(3) . . ?
O5 Zn2 N4 82.0(2) . . ?
O5 Zn2 N6 126.5(3) . . ?
O8 Zn2 Zn1 46.07(15) . . ?
O8 Zn2 N2 126.9(3) . . ?
O8 Zn2 N4 142.3(3) . . ?
N2 Zn2 Zn1 128.38(18) . . ?
N2 Zn2 N4 87.6(3) . . ?
N4 Zn2 Zn1 127.12(17) . . ?
N6 Zn2 Zn1 127.55(18) . . ?
N6 Zn2 O8 82.4(2) . . ?
N6 Zn2 N2 86.6(3) . . ?
N6 Zn2 N4 85.4(2) . . ?
O11 Zn3 Zn4 45.43(16) . . ?
O11 Zn3 O14 76.8(2) . . ?
O11 Zn3 O17 78.3(2) . . ?
O11 Zn3 N12 84.1(2) . . ?
O11 Zn3 N14 134.6(3) . . ?
O11 Zn3 N16 134.0(2) . . ?
O14 Zn3 Zn4 44.68(16) . . ?
O17 Zn3 Zn4 46.08(15) . . ?
O17 Zn3 O14 73.3(2) . . ?
N12 Zn3 Zn4 129.49(18) . . ?
N12 Zn3 O14 137.7(3) . . ?
N12 Zn3 O17 138.8(3) . . ?
N14 Zn3 Zn4 126.08(18) . . ?
N14 Zn3 O14 81.4(2) . . ?
N14 Zn3 O17 131.9(3) . . ?
N14 Zn3 N12 86.1(3) . . ?
N14 Zn3 N16 88.6(3) . . ?
N16 Zn3 Zn4 128.05(19) . . ?
N16 Zn3 O14 135.4(3) . . ?
N16 Zn3 O17 82.1(2) . . ?
N16 Zn3 N12 84.1(3) . . ?
O11 Zn4 Zn3 44.41(15) . . ?
O11 Zn4 O17 77.9(2) . . ?
O11 Zn4 N13 139.7(3) . . ?
O11 Zn4 N15 129.4(3) . . ?
O14 Zn4 Zn3 46.89(16) . . ?
O14 Zn4 O11 77.7(2) . . ?
O14 Zn4 O17 75.3(2) . . ?
O14 Zn4 N11 133.1(3) . . ?
O14 Zn4 N13 82.1(3) . . ?
O14 Zn4 N15 140.3(3) . . ?
O17 Zn4 Zn3 46.69(16) . . ?
O17 Zn4 N13 129.6(3) . . ?
O17 Zn4 N15 82.6(2) . . ?
N11 Zn4 Zn3 126.7(2) . . ?
N11 Zn4 O11 82.4(3) . . ?
N11 Zn4 O17 140.4(3) . . ?
N11 Zn4 N13 86.6(3) . . ?
N11 Zn4 N15 83.9(3) . . ?
N13 Zn4 Zn3 129.0(2) . . ?
N15 Zn4 Zn3 128.46(18) . . ?
N15 Zn4 N13 87.3(3) . . ?
N1 O1 B1 115.5(6) . . ?
Zn2 O2 Zn1 88.3(2) . . ?
C1 O2 Zn1 132.7(5) . . ?
C1 O2 Zn2 133.4(5) . . ?
N2 O3 B2 116.4(6) . . ?
N3 O4 B1 116.0(5) . . ?
Zn2 O5 Zn1 89.05(19) . . ?
C13 O5 Zn1 134.3(5) . . ?
C13 O5 Zn2 136.5(5) . . ?
N4 O6 Ag2 124.6(4) . 1_654 ?
N4 O6 B2 114.4(5) . . ?
B2 O6 Ag2 106.1(4) . 1_654 ?
N5 O7 Ag1 131.8(4) . 1_546 ?
N5 O7 B1 115.5(5) . . ?
B1 O7 Ag1 111.8(4) . 1_546 ?
Zn2 O8 Zn1 88.0(2) . . ?
C24 O8 Zn1 133.7(5) . . ?
C24 O8 Zn2 135.4(5) . . ?
N6 O9 B2 115.2(6) . . ?
N11 O10 B4 117.8(7) . . ?
Zn3 O11 Zn4 90.2(2) . . ?
C84 O11 Zn3 134.0(5) . . ?
C84 O11 Zn4 135.6(5) . . ?
N12 O12 B3 115.6(6) . . ?
N13 O13 B4 116.5(7) . . ?
Zn4 O14 Zn3 88.4(2) . . ?
C76 O14 Zn3 134.9(5) . . ?
C76 O14 Zn4 136.2(6) . . ?
N14 O15 B3 118.7(6) . . ?
N15 O16 B4 116.4(6) . . ?
Zn4 O17 Zn3 87.2(2) . . ?
C93 O17 Zn3 130.0(5) . . ?
C93 O17 Zn4 131.7(5) . . ?
N16 O18 B3 115.5(6) . . ?
O1 N1 Zn1 117.3(4) . . ?
C7 N1 Zn1 130.4(5) . . ?
C7 N1 O1 112.3(6) . . ?
O3 N2 Zn2 116.8(5) . . ?
C8 N2 Zn2 130.1(6) . . ?
C8 N2 O3 112.8(7) . . ?
O4 N3 Zn1 118.2(4) . . ?
C19 N3 Zn1 130.6(5) . . ?
C19 N3 O4 111.1(6) . . ?
O6 N4 Zn2 116.7(4) . . ?
C20 N4 Zn2 131.6(5) . . ?
C20 N4 O6 111.7(6) . . ?
O7 N5 Zn1 117.0(4) . . ?
C30 N5 Zn1 131.0(5) . . ?
C30 N5 O7 111.9(6) . . ?
O9 N6 Zn2 117.5(5) . . ?
C31 N6 Zn2 131.5(6) . . ?
C31 N6 O9 110.7(7) . . ?
C48 N7 Ag2 175.1(10) . . ?
C55 N8 Ag2 168.6(9) . 1_645 ?
C68 N9 Ag1 153.8(8) . . ?
C75 N10 Ag1 163.2(8) . 1_645 ?
O10 N11 Zn4 116.4(6) . . ?
C90 N11 Zn4 131.6(6) . . ?
C90 N11 O10 112.0(7) . . ?
O12 N12 Zn3 118.1(5) . . ?
C91 N12 Zn3 130.6(5) . . ?
C91 N12 O12 111.2(6) . . ?
O13 N13 Zn4 117.2(5) . . ?
C83 N13 Zn4 130.5(7) . . ?
C83 N13 O13 112.2(7) . . ?
O15 N14 Zn3 116.7(5) . . ?
C82 N14 Zn3 133.0(6) . . ?
C82 N14 O15 110.2(6) . . ?
O16 N15 Zn4 118.0(5) . . ?
C100 N15 Zn4 130.0(6) . . ?
C100 N15 O16 111.5(7) . . ?
O18 N16 Zn3 117.9(5) . . ?
C101 N16 Zn3 129.9(5) . . ?
C101 N16 O18 112.3(6) . . ?
C118 N17 Ag2 155.5(10) . . ?
O2 C1 C2 120.9(7) . . ?
O2 C1 C6 121.9(7) . . ?
C2 C1 C6 117.2(7) . . ?
C1 C2 C7 123.0(7) . . ?
C3 C2 C1 119.7(7) . . ?
C3 C2 C7 117.3(7) . . ?
C16 C2BA C23A 111.6(10) . . ?
C21 C2BA C16 108.8(11) . . ?
C21A C2BA C16 113.3(12) . . ?
C21A C2BA C21 112.0(15) . . ?
C21A C2BA C23 106.8(16) . . ?
C23 C2BA C16 109.0(13) . . ?
C23 C2BA C21 106.6(15) . . ?
C22 C2BA C16 107.5(12) . . ?
C22 C2BA C23A 112.9(15) . . ?
C22A C2BA C16 111.2(13) . . ?
C22A C2BA C22 107.3(16) . . ?
C22A C2BA C23A 106.3(15) . . ?
C2 C3 H3 118.1 . . ?
C4 C3 C2 123.8(7) . . ?
C4 C3 H3 118.1 . . ?
C3 C4 C5 115.7(7) . . ?
C3 C4 C9 123.2(7) . . ?
C5 C4 C9 121.1(8) . . ?
C4 C5 H5 118.2 . . ?
C6 C5 C4 123.7(8) . . ?
C6 C5 H5 118.2 . . ?
C1 C6 C8 122.4(7) . . ?
C5 C6 C1 119.8(7) . . ?
C5 C6 C8 117.8(7) . . ?
N1 C7 C2 126.5(7) . . ?
N1 C7 H7 116.8 . . ?
C2 C7 H7 116.8 . . ?
N2 C8 C6 127.3(8) . . ?
N2 C8 H8 116.3 . . ?
C6 C8 H8 116.4 . . ?
C4 C9 C11 109.4(8) . . ?
C10 C9 C4 112.1(8) . . ?
C10 C9 C11 106.3(10) . . ?
C12 C9 C4 109.3(9) . . ?
C12 C9 C10 110.1(10) . . ?
C12 C9 C11 109.6(11) . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C9 C11 H11A 109.5 . . ?
C9 C11 H11B 109.5 . . ?
C9 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C9 C12 H12A 109.5 . . ?
C9 C12 H12B 109.5 . . ?
C9 C12 H12C 109.4 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
O5 C13 C14 122.6(6) . . ?
O5 C13 C18 120.9(6) . . ?
C14 C13 C18 116.5(7) . . ?
C13 C14 C19 122.9(6) . . ?
C15 C14 C13 120.7(7) . . ?
C15 C14 C19 116.4(7) . . ?
C14 C15 H15 118.2 . . ?
C16 C15 C14 123.5(7) . . ?
C16 C15 H15 118.2 . . ?
C15 C16 C2BA 122.6(7) . . ?
C15 C16 C17 116.3(7) . . ?
C17 C16 C2BA 121.1(8) . . ?
C16 C17 H17 118.5 . . ?
C18 C17 C16 123.0(7) . . ?
C18 C17 H17 118.5 . . ?
C13 C18 C20 123.0(7) . . ?
C17 C18 C13 119.9(7) . . ?
C17 C18 C20 117.1(7) . . ?
N3 C19 C14 125.7(7) . . ?
N3 C19 H19 117.2 . . ?
C14 C19 H19 117.2 . . ?
N4 C20 C18 125.8(7) . . ?
N4 C20 H20 117.1 . . ?
C18 C20 H20 117.1 . . ?
O8 C24 C25 121.4(8) . . ?
O8 C24 C29 122.2(8) . . ?
C25 C24 C29 116.4(8) . . ?
C24 C25 C31 123.6(8) . . ?
C26 C25 C24 120.9(9) . . ?
C26 C25 C31 115.4(9) . . ?
C25 C26 H26 118.3 . . ?
C27 C26 C25 123.3(11) . . ?
C27 C26 H26 118.3 . . ?
C26 C27 C28 115.8(11) . . ?
C26 C27 C32 122.7(13) . . ?
C26 C27 C32A 121.3(15) . . ?
C28 C27 C32 118.2(12) . . ?
C28 C27 C32A 119.9(14) . . ?
C29 C28 C27 121.9(11) . . ?
C24 C29 C30 122.4(8) . . ?
C28 C29 C24 121.7(9) . . ?
C28 C29 C30 115.8(9) . . ?
N5 C30 C29 125.4(7) . . ?
N5 C30 H30 117.3 . . ?
C29 C30 H30 117.3 . . ?
N6 C31 C25 125.0(8) . . ?
N6 C31 H31 117.5 . . ?
C25 C31 H31 117.5 . . ?
C27 C32 C35A 96.0(15) . . ?
C33 C32 C27 115(2) . . ?
C33 C32 C34 107.4(17) . . ?
C33 C32 C35A 136.8(19) . . ?
C34 C32 C27 100.0(14) . . ?
C34 C32 C35A 94.8(16) . . ?
C37 C36 B1 120.5(7) . . ?
C41 C36 C37 117.8(7) . . ?
C41 C36 B1 121.6(7) . . ?
C36 C37 H37 118.9 . . ?
C38 C37 C36 122.3(7) . . ?
C38 C37 H37 118.9 . . ?
C37 C38 C39 117.5(7) . . ?
C37 C38 C42 122.8(7) . . ?
C39 C38 C42 119.7(7) . . ?
C38 C39 H39 119.3 . . ?
C40 C39 C38 121.3(7) . . ?
C40 C39 H39 119.3 . . ?
C39 C40 C49 119.7(7) . . ?
C41 C40 C39 119.3(7) . . ?
C41 C40 C49 120.9(7) . . ?
C36 C41 C40 121.8(8) . . ?
C36 C41 H41 119.1 . . ?
C40 C41 H41 119.1 . . ?
C43 C42 C38 117.7(8) . . ?
C47 C42 C38 120.1(7) . . ?
C47 C42 C43 121.9(8) . . ?
C42 C43 H43 120.2 . . ?
C42 C43 C44 119.7(10) . . ?
C44 C43 H43 120.2 . . ?
C43 C44 H44 120.6 . . ?
C43 C44 C45 118.9(10) . . ?
C45 C44 H44 120.6 . . ?
C46 C45 C44 119.0(9) . . ?
C46 C45 C48 123.0(11) . . ?
C48 C45 C44 118.0(10) . . ?
C45 C46 H46 120.2 . . ?
C45 C46 C47 119.5(11) . . ?
C47 C46 H46 120.2 . . ?
C42 C47 C46 120.8(10) . . ?
C42 C47 H47 119.6 . . ?
C46 C47 H47 119.6 . . ?
N7 C48 C45 177.3(15) . . ?
C50 C49 C40 115.8(8) . . ?
C54 C49 C40 119.9(8) . . ?
C54 C49 C50 124.2(9) . . ?
C49 C50 H50 120.8 . . ?
C49 C50 C51 118.4(9) . . ?
C51 C50 H50 120.8 . . ?
C50 C51 H51 120.4 . . ?
C52 C51 C50 119.1(9) . . ?
C52 C51 H51 120.5 . . ?
C51 C52 C53 121.0(9) . . ?
C51 C52 C55 118.5(10) . . ?
C53 C52 C55 120.5(9) . . ?
C52 C53 H53 120.3 . . ?
C52 C53 C54 119.4(10) . . ?
C54 C53 H53 120.3 . . ?
C49 C54 C53 117.8(10) . . ?
C49 C54 H54 121.1 . . ?
C53 C54 H54 121.1 . . ?
N8 C55 C52 178.4(12) . . ?
C57 C56 C61 116.8(7) . . ?
C57 C56 B2 122.5(7) . . ?
C61 C56 B2 120.7(7) . . ?
C56 C57 H57 118.7 . . ?
C56 C57 C58 122.6(7) . . ?
C58 C57 H57 118.7 . . ?
C57 C58 C69 120.4(7) . . ?
C59 C58 C57 118.9(7) . . ?
C59 C58 C69 120.6(7) . . ?
C58 C59 H59 119.7 . . ?
C58 C59 C60 120.5(7) . . ?
C60 C59 H59 119.7 . . ?
C59 C60 C62 120.9(7) . . ?
C61 C60 C59 118.1(7) . . ?
C61 C60 C62 121.1(7) . . ?
C56 C61 H61 118.5 . . ?
C60 C61 C56 123.0(7) . . ?
C60 C61 H61 118.5 . . ?
C63 C62 C60 121.2(7) . . ?
C63 C62 C67 118.5(7) . . ?
C67 C62 C60 120.3(7) . . ?
C62 C63 H63 119.9 . . ?
C64 C63 C62 120.2(8) . . ?
C64 C63 H63 119.9 . . ?
C63 C64 H64 119.9 . . ?
C63 C64 C65 120.1(8) . . ?
C65 C64 H64 119.9 . . ?
C64 C65 C66 121.0(7) . . ?
C64 C65 C68 119.0(8) . . ?
C66 C65 C68 119.9(8) . . ?
C65 C66 H66 121.0 . . ?
C67 C66 C65 118.1(8) . . ?
C67 C66 H66 121.0 . . ?
C62 C67 H67 119.0 . . ?
C66 C67 C62 122.0(8) . . ?
C66 C67 H67 119.0 . . ?
N9 C68 C65 177.6(10) . . ?
C70 C69 C58 120.4(7) . . ?
C74 C69 C58 121.5(7) . . ?
C74 C69 C70 118.1(8) . . ?
C69 C70 H70 118.9 . . ?
C69 C70 C71 122.3(8) . . ?
C71 C70 H70 118.9 . . ?
C70 C71 H71 121.2 . . ?
C72 C71 C70 117.6(8) . . ?
C72 C71 H71 121.2 . . ?
C71 C72 C75 117.0(8) . . ?
C73 C72 C71 121.9(8) . . ?
C73 C72 C75 121.1(8) . . ?
C72 C73 H73 120.6 . . ?
C72 C73 C74 118.7(9) . . ?
C74 C73 H73 120.6 . . ?
C69 C74 C73 121.1(9) . . ?
C69 C74 H74 119.4 . . ?
C73 C74 H74 119.4 . . ?
N10 C75 C72 175.8(10) . . ?
O14 C76 C77 121.6(7) . . ?
O14 C76 C81 120.8(8) . . ?
C77 C76 C81 117.5(8) . . ?
C76 C77 C82 123.2(7) . . ?
C78 C77 C76 120.3(11) . . ?
C78 C77 C82 115.8(11) . . ?
C68A C77 C76 120.2(11) . . ?
C68A C77 C82 115.0(11) . . ?
C76 C81 C83 123.0(8) . . ?
C76 C81 C66A 120.2(11) . . ?
C80 C81 C76 118.0(11) . . ?
C80 C81 C83 117.9(11) . . ?
C66A C81 C83 114.9(11) . . ?
N14 C82 C77 125.5(7) . . ?
N14 C82 H82 117.2 . . ?
C77 C82 H82 117.2 . . ?
N13 C83 C81 126.7(9) . . ?
N13 C83 H83 116.6 . . ?
C81 C83 H83 116.6 . . ?
O11 C84 C85 122.4(7) . . ?
O11 C84 C89 120.1(7) . . ?
C85 C84 C89 117.5(7) . . ?
C84 C85 C91 124.4(7) . . ?
C86 C85 C84 120.2(7) . . ?
C86 C85 C91 115.4(7) . . ?
C85 C86 H86 118.4 . . ?
C85 C86 C87 123.2(8) . . ?
C87 C86 H86 118.4 . . ?
C86 C87 C92 121.4(9) . . ?
C88 C87 C86 116.4(8) . . ?
C88 C87 C92 122.3(8) . . ?
C87 C88 H88 118.3 . . ?
C87 C88 C89 123.4(8) . . ?
C89 C88 H88 118.3 . . ?
C84 C89 C90 124.2(8) . . ?
C88 C89 C84 119.3(8) . . ?
C88 C89 C90 116.5(8) . . ?
N11 C90 C89 125.9(8) . . ?
N11 C90 H90 117.0 . . ?
C89 C90 H90 117.1 . . ?
N12 C91 C85 124.3(7) . . ?
N12 C91 H91 117.8 . . ?
C85 C91 H91 117.8 . . ?
C87 C92 C3BA 110.4(11) . . ?
C87 C92 C1H 106.4(13) . . ?
C87 C92 C147 108.7(15) . . ?
C0AA C92 C87 108.5(13) . . ?
C0AA C92 C3BA 105.0(16) . . ?
C1G C92 C87 113.3(16) . . ?
C1G C92 C0AA 113.7(19) . . ?
C1G C92 C3BA 105.5(15) . . ?
C1H C92 C147 109.9(18) . . ?
C3BB C92 C87 109.8(12) . . ?
C3BB C92 C1H 114.0(16) . . ?
C3BB C92 C147 107.9(17) . . ?
O17 C93 C94 121.3(7) . . ?
O17 C93 C99 121.3(7) . . ?
C99 C93 C94 117.4(7) . . ?
C93 C94 C100 124.2(8) . . ?
C96 C94 C93 119.7(7) . . ?
C96 C94 C100 116.0(8) . . ?
C94 C96 H96 118.2 . . ?
C97 C96 C94 123.5(8) . . ?
C97 C96 H96 118.2 . . ?
C96 C97 C98 116.7(8) . . ?
C96 C97 C102 119.4(8) . . ?
C98 C97 C102 123.7(8) . . ?
C97 C98 H98 118.7 . . ?
C97 C98 C99 122.6(7) . . ?
C99 C98 H98 118.7 . . ?
C93 C99 C101 123.4(7) . . ?
C98 C99 C93 119.8(7) . . ?
C98 C99 C101 116.5(7) . . ?
N15 C100 C94 125.5(8) . . ?
N15 C100 H100 117.3 . . ?
C94 C100 H100 117.3 . . ?
N16 C101 C99 126.2(7) . . ?
N16 C101 H101 116.9 . . ?
C99 C101 H101 116.9 . . ?
C97 C102 C103 112.0(8) . . ?
C104 C102 C97 108.4(9) . . ?
C104 C102 C103 109.7(9) . . ?
C105 C102 C97 110.9(8) . . ?
C105 C102 C103 108.2(9) . . ?
C105 C102 C104 107.4(10) . . ?
C102 C103 H10D 109.5 . . ?
C102 C103 H10E 109.5 . . ?
C102 C103 H10F 109.5 . . ?
H10D C103 H10E 109.5 . . ?
H10D C103 H10F 109.5 . . ?
H10E C103 H10F 109.5 . . ?
C102 C104 H10G 109.5 . . ?
C102 C104 H10H 109.5 . . ?
C102 C104 H10I 109.5 . . ?
H10G C104 H10H 109.5 . . ?
H10G C104 H10I 109.5 . . ?
H10H C104 H10I 109.5 . . ?
C102 C105 H10J 109.5 . . ?
C102 C105 H10K 109.5 . . ?
C102 C105 H10L 109.5 . . ?
H10J C105 H10K 109.5 . . ?
H10J C105 H10L 109.5 . . ?
H10K C105 H10L 109.5 . . ?
C107 C106 C111 117.3(8) . . ?
C107 C106 B4 120.3(8) . . ?
C111 C106 B4 122.1(8) . . ?
C106 C107 H107 117.9 . . ?
C106 C107 C108 124.1(8) . . ?
C108 C107 H107 117.9 . . ?
C107 C108 C109 117.5(8) . . ?
C107 C108 C112 121.4(7) . . ?
C109 C108 C112 121.0(7) . . ?
C108 C109 H109 119.5 . . ?
C108 C109 C110 121.1(8) . . ?
C110 C109 H109 119.5 . . ?
C109 C110 C119 121.1(7) . . ?
C111 C110 C109 117.8(8) . . ?
C111 C110 C119 121.0(8) . . ?
C106 C111 C110 122.0(8) . . ?
C106 C111 H111 119.0 . . ?
C110 C111 H111 119.0 . . ?
C113 C112 C108 119.4(8) . . ?
C117 C112 C108 124.1(7) . . ?
C117 C112 C113 116.5(8) . . ?
C112 C113 H113 119.3 . . ?
C114 C113 C112 121.3(9) . . ?
C114 C113 H113 119.4 . . ?
C113 C114 H114 120.1 . . ?
C113 C114 C115 119.8(9) . . ?
C115 C114 H114 120.1 . . ?
C114 C115 C118 119.1(9) . . ?
C116 C115 C114 119.3(9) . . ?
C116 C115 C118 121.6(9) . . ?
C115 C116 H116 120.2 . . ?
C117 C116 C115 119.7(9) . . ?
C117 C116 H116 120.2 . . ?
C112 C117 H117 118.3 . . ?
C116 C117 C112 123.3(8) . . ?
C116 C117 H117 118.3 . . ?
N17 C118 C115 176.3(12) . . ?
C120 C119 C110 120.9(8) . . ?
C124 C119 C110 120.3(8) . . ?
C124 C119 C120 118.8(9) . . ?
C119 C120 H120 119.8 . . ?
C121 C120 C119 120.3(9) . . ?
C121 C120 H120 119.8 . . ?
C120 C121 H121 119.7 . . ?
C120 C121 C122 120.5(10) . . ?
C122 C121 H121 119.8 . . ?
C121 C122 C6AA 125.9(14) . . ?
C121 C122 C1I 115.3(14) . . ?
C123 C122 C121 120.1(10) . . ?
C123 C122 C6AA 113.1(13) . . ?
C123 C122 C1I 122.5(13) . . ?
C122 C123 H123 120.5 . . ?
C122 C123 C124 119.0(10) . . ?
C124 C123 H123 120.5 . . ?
C119 C124 C123 121.2(10) . . ?
C119 C124 H124 119.4 . . ?
C123 C124 H124 119.4 . . ?
C126 C125 B3 122.8(7) . . ?
C130 C125 C126 116.6(7) . . ?
C130 C125 B3 120.6(7) . . ?
C125 C126 H126 119.2 . . ?
C127 C126 C125 121.7(8) . . ?
C127 C126 H126 119.2 . . ?
C126 C127 C138 120.6(8) . . ?
C128 C127 C126 119.9(8) . . ?
C128 C127 C138 119.5(8) . . ?
C127 C128 H128 119.7 . . ?
C127 C128 C129 120.6(8) . . ?
C129 C128 H128 119.7 . . ?
C128 C129 C131 121.4(8) . . ?
C130 C129 C128 118.8(8) . . ?
C130 C129 C131 119.8(8) . . ?
C125 C130 H130 118.8 . . ?
C129 C130 C125 122.4(8) . . ?
C129 C130 H130 118.8 . . ?
C132 C131 C129 121.5(8) . . ?
C136 C131 C129 120.7(8) . . ?
C136 C131 C132 117.6(9) . . ?
C131 C132 H132 119.3 . . ?
C133 C132 C131 121.4(10) . . ?
C133 C132 H132 119.3 . . ?
C132 C133 H133 119.5 . . ?
C132 C133 C134 121.0(10) . . ?
C134 C133 H133 119.5 . . ?
C133 C134 C137 121.2(11) . . ?
C135 C134 C133 119.2(10) . . ?
C135 C134 C137 119.6(11) . . ?
C134 C135 H135 120.1 . . ?
C134 C135 C136 119.7(10) . . ?
C136 C135 H135 120.1 . . ?
C131 C136 C135 120.9(9) . . ?
C131 C136 H136 119.5 . . ?
C135 C136 H136 119.5 . . ?
N20 C137 C134 178.9(14) . . ?
C139 C138 C127 119.8(8) . . ?
C143 C138 C127 121.3(8) . . ?
C143 C138 C139 118.9(9) . . ?
C138 C139 H139 119.7 . . ?
C140 C139 C138 120.6(10) . . ?
C140 C139 H139 119.7 . . ?
C139 C140 H140 120.3 . . ?
C139 C140 C141 119.5(9) . . ?
C141 C140 H140 120.2 . . ?
C140 C141 C144 120.7(10) . . ?
C142 C141 C140 120.1(9) . . ?
C142 C141 C144 119.2(10) . . ?
C141 C142 H142 120.6 . . ?
C143 C142 C141 118.8(9) . . ?
C143 C142 H142 120.6 . . ?
C138 C143 C142 122.1(10) . . ?
C138 C143 H143 118.9 . . ?
C142 C143 H143 118.9 . . ?
N19 C144 C141 176.6(15) . . ?
O1 B1 O7 110.5(6) . . ?
O1 B1 C36 107.1(6) . . ?
O4 B1 O1 113.9(7) . . ?
O4 B1 O7 111.8(6) . . ?
O4 B1 C36 108.0(6) . . ?
O7 B1 C36 104.9(6) . . ?
O3 B2 O6 112.8(7) . . ?
O3 B2 O9 113.4(7) . . ?
O3 B2 C56 106.1(6) . . ?
O6 B2 O9 111.3(6) . . ?
O6 B2 C56 106.4(6) . . ?
O9 B2 C56 106.2(7) . . ?
O12 B3 O18 112.3(7) . . ?
O12 B3 C125 108.1(7) . . ?
O15 B3 O12 111.9(7) . . ?
O15 B3 O18 112.3(7) . . ?
O15 B3 C125 103.9(7) . . ?
O18 B3 C125 107.8(7) . . ?
O10 B4 O16 112.6(8) . . ?
O10 B4 C106 104.6(7) . . ?
O13 B4 O10 112.1(9) . . ?
O13 B4 O16 111.6(8) . . ?
O13 B4 C106 107.4(7) . . ?
O16 B4 C106 108.0(7) . . ?
C92 C0AA H0AA 109.4 . . ?
C92 C0AA H0AB 109.5 . . ?
C92 C0AA H0AC 109.5 . . ?
H0AA C0AA H0AB 109.5 . . ?
H0AA C0AA H0AC 109.5 . . ?
H0AB C0AA H0AC 109.5 . . ?
C1BA C0BA C7AA 119(3) . . ?
C1BA C0BA C79 103(2) . . ?
C9AA C0BA C1BA 103(3) . . ?
C9AA C0BA C7AA 112(2) . . ?
C9AA C0BA C79 107(2) . . ?
C79 C0BA C7AA 112(2) . . ?
C0BA C1BA H1BA 109.6 . . ?
C0BA C1BA H1BB 109.4 . . ?
C0BA C1BA H1BC 109.4 . . ?
H1BA C1BA H1BB 109.5 . . ?
H1BA C1BA H1BC 109.5 . . ?
H1BB C1BA H1BC 109.5 . . ?
C92 C1G H1GA 109.5 . . ?
C92 C1G H1GB 109.4 . . ?
C92 C1G H1GC 109.4 . . ?
H1GA C1G H1GB 109.5 . . ?
H1GA C1G H1GC 109.5 . . ?
H1GB C1G H1GC 109.5 . . ?
C92 C3BA H3BA 109.4 . . ?
C92 C3BA H3BB 109.5 . . ?
C92 C3BA H3BC 109.5 . . ?
H3BA C3BA H3BB 109.5 . . ?
H3BA C3BA H3BC 109.5 . . ?
H3BB C3BA H3BC 109.5 . . ?
N18 C6AA C122 177(3) . . ?
C0BA C7AA H7AA 109.5 . . ?
C0BA C7AA H7AB 109.6 . . ?
C0BA C7AA H7AC 109.6 . . ?
H7AA C7AA H7AB 109.4 . . ?
H7AA C7AA H7AC 109.4 . . ?
H7AB C7AA H7AC 109.4 . . ?
C0BA C9AA H9AA 109.6 . . ?
C0BA C9AA H9AB 109.5 . . ?
C0BA C9AA H9AC 109.3 . . ?
H9AA C9AA H9AB 109.5 . . ?
H9AA C9AA H9AC 109.5 . . ?
H9AB C9AA H9AC 109.5 . . ?
C2BA C21 H21A 109.5 . . ?
C2BA C21 H21B 109.5 . . ?
C2BA C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C2BA C21A H21D 109.5 . . ?
C2BA C21A H21E 109.5 . . ?
C2BA C21A H21F 109.4 . . ?
H21D C21A H21E 109.5 . . ?
H21D C21A H21F 109.5 . . ?
H21E C21A H21F 109.5 . . ?
C2BA C23 H23A 109.5 . . ?
C2BA C23 H23B 109.4 . . ?
C2BA C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C32 C33 H33A 109.7 . . ?
C32 C33 H33B 109.5 . . ?
C32 C33 H33C 109.7 . . ?
H33A C33 H33B 109.3 . . ?
H33A C33 H33C 109.3 . . ?
H33B C33 H33C 109.3 . . ?
C32 C34 H34A 109.5 . . ?
C32 C34 H34B 109.4 . . ?
C32 C34 H34C 109.5 . . ?
H34A C34 H34B 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
H35A C35 H35B 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C32A C35 H35A 109.5 . . ?
C32A C35 H35B 109.5 . . ?
C32A C35 H35C 109.4 . . ?
C77 C78 H78 118.9 . . ?
C77 C78 C79 122.2(18) . . ?
C79 C78 H78 118.9 . . ?
C78 C79 C0BA 118(2) . . ?
C80 C79 C0BA 124(2) . . ?
C80 C79 C78 115.9(19) . . ?
C81 C80 H80 118.3 . . ?
C79 C80 C81 123.5(18) . . ?
C79 C80 H80 118.3 . . ?
C92 C1H H1HA 109.4 . . ?
C92 C1H H1HB 109.5 . . ?
C92 C1H H1HC 109.5 . . ?
H1HA C1H H1HB 109.5 . . ?
H1HA C1H H1HC 109.5 . . ?
H1HB C1H H1HC 109.5 . . ?
N18A C1I C122 167(3) . . ?
C92 C3BB H3BD 109.5 . . ?
C92 C3BB H3BE 109.5 . . ?
C92 C3BB H3BF 109.5 . . ?
H3BD C3BB H3BE 109.5 . . ?
H3BD C3BB H3BF 109.5 . . ?
H3BE C3BB H3BF 109.5 . . ?
C2BA C22 H22A 109.4 . . ?
C2BA C22 H22B 109.5 . . ?
C2BA C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C2BA C22A H22D 109.5 . . ?
C2BA C22A H22E 109.4 . . ?
C2BA C22A H22F 109.5 . . ?
H22D C22A H22E 109.5 . . ?
H22D C22A H22F 109.5 . . ?
H22E C22A H22F 109.5 . . ?
C2BA C23A H23D 109.5 . . ?
C2BA C23A H23E 109.5 . . ?
C2BA C23A H23F 109.5 . . ?
H23D C23A H23E 109.5 . . ?
H23D C23A H23F 109.5 . . ?
H23E C23A H23F 109.5 . . ?
C81 C66A H66A 119.3 . . ?
C67A C66A C81 121.4(17) . . ?
C67A C66A H66A 119.3 . . ?
C66A C67A C68A 116.8(19) . . ?
C66A C67A C72A 124(2) . . ?
C68A C67A C72A 119(2) . . ?
C77 C68A C67A 121.3(17) . . ?
C77 C68A H68A 119.4 . . ?
C67A C68A H68A 119.4 . . ?
C67A C72A C74A 102(2) . . ?
C73A C72A C67A 109(2) . . ?
C73A C72A C74A 124(3) . . ?
C75A C72A C67A 112(3) . . ?
C75A C72A C73A 102(3) . . ?
C75A C72A C74A 108(3) . . ?
C72A C73A H73A 109.5 . . ?
C72A C73A H73B 109.5 . . ?
C72A C73A H73C 109.4 . . ?
H73A C73A H73B 109.5 . . ?
H73A C73A H73C 109.5 . . ?
H73B C73A H73C 109.5 . . ?
C72A C74A H74A 110.4 . . ?
C72A C74A H74B 110.5 . . ?
C72A C74A H74C 110.4 . . ?
H74A C74A H74B 108.5 . . ?
H74A C74A H74C 108.5 . . ?
H74B C74A H74C 108.5 . . ?
C72A C75A H75A 109.6 . . ?
C72A C75A H75B 109.4 . . ?
C72A C75A H75C 109.5 . . ?
H75A C75A H75B 109.4 . . ?
H75A C75A H75C 109.5 . . ?
H75B C75A H75C 109.5 . . ?
C92 C147 H14A 109.4 . . ?
C92 C147 H14B 109.5 . . ?
C92 C147 H14C 109.5 . . ?
H14A C147 H14B 109.5 . . ?
H14A C147 H14C 109.5 . . ?
H14B C147 H14C 109.5 . . ?
O3S N2S O4S 123(3) . . ?
O3S N2S C2S 122(2) . . ?
O4S N2S C2S 116(3) . . ?
O2S N1S O1S 115(3) . . ?
O2S N1S C1S 123(2) . . ?
O1S N1S C1S 120(3) . . ?
N1S C1S H1SA 109.4 . . ?
N1S C1S H1SB 109.5 . . ?
N1S C1S H1SC 109.5 . . ?
H1SA C1S H1SB 109.5 . . ?
H1SA C1S H1SC 109.5 . . ?
H1SB C1S H1SC 109.5 . . ?
N2S C2S H2SA 109.5 . . ?
N2S C2S H2SB 109.5 . . ?
N2S C2S H2SC 109.5 . . ?
H2SA C2S H2SB 109.5 . . ?
H2SA C2S H2SC 109.5 . . ?
H2SB C2S H2SC 109.5 . . ?
O8S N4S C4S 113(4) . . ?
O7S N4S O8S 126(5) . . ?
O7S N4S C4S 116(4) . . ?
N4S C4S H4SA 110.3 . . ?
N4S C4S H4SB 110.6 . . ?
N4S C4S H4SC 110.2 . . ?
H4SA C4S H4SB 108.6 . . ?
H4SA C4S H4SC 108.6 . . ?
H4SB C4S H4SC 108.5 . . ?
C8S O13S H13S 109.5 . . ?
O13S C8S H8SA 109.5 . . ?
O13S C8S H8SB 109.4 . . ?
O13S C8S H8SC 109.5 . . ?
H8SA C8S H8SB 109.5 . . ?
H8SA C8S H8SC 109.5 . . ?
H8SB C8S H8SC 109.5 . . ?
O11S N6S O12S 119(3) . . ?
O11S N6S C6S 122(3) . . ?
O12S N6S C6S 118(3) . . ?
N6S C6S H6SA 109.8 . . ?
N6S C6S H6SB 109.9 . . ?
N6S C6S H6SC 109.9 . . ?
H6SA C6S H6SB 109.0 . . ?
H6SA C6S H6SC 109.1 . . ?
H6SB C6S H6SC 109.1 . . ?
O1AA N10S O18S 136(4) . . ?
O1AA N10S C10S 113(2) . . ?
O18S N10S C10S 111(2) . . ?
O14S N9S O15S 118(4) . . ?
O14S N9S C9S 121(3) . . ?
O15S N9S C9S 120(3) . . ?
N9S C9S H9SA 111.8 . . ?
N9S C9S H9SB 111.5 . . ?
N9S C9S H9SC 111.5 . . ?
H9SA C9S H9SB 107.2 . . ?
H9SA C9S H9SC 107.3 . . ?
H9SB C9S H9SC 107.3 . . ?
N10S C10S H10M 109.4 . . ?
N10S C10S H10N 109.5 . . ?
N10S C10S H10O 109.4 . . ?
H10M C10S H10N 109.5 . . ?
H10M C10S H10O 109.5 . . ?
H10N C10S H10O 109.5 . . ?
C16S O0AA H0AD 113.2 . . ?
O0AA C16S H16A 109.3 . . ?
O0AA C16S H16B 109.2 . . ?
O0AA C16S H16C 109.9 . . ?
H16A C16S H16B 109.5 . . ?
H16A C16S H16C 109.5 . . ?
H16B C16S H16C 109.5 . . ?
C27 C32A C35 106.5(19) . . ?
C27 C32A C34A 120(3) . . ?
C34A C32A C35 127(3) . . ?
C33A C32A C27 100(2) . . ?
C33A C32A C35 94(2) . . ?
C33A C32A C34A 99(3) . . ?
C32 C35A H35D 109.4 . . ?
C32 C35A H35E 109.5 . . ?
C32 C35A H35F 109.5 . . ?
H35D C35A H35E 109.5 . . ?
H35D C35A H35F 109.5 . . ?
H35E C35A H35F 109.5 . . ?
C32A C34A H34D 109.5 . . ?
C32A C34A H34E 109.5 . . ?
C32A C34A H34F 109.4 . . ?
H34D C34A H34E 109.5 . . ?
H34D C34A H34F 109.5 . . ?
H34E C34A H34F 109.5 . . ?
C32A C33A H33D 109.5 . . ?
C32A C33A H33E 109.5 . . ?
C32A C33A H33F 109.4 . . ?
H33D C33A H33E 109.5 . . ?
H33D C33A H33F 109.5 . . ?
H33E C33A H33F 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
Ag1 O7 N5 Zn1 177.4(3) 1_546 . . . ?
Ag1 O7 N5 C30 -4.4(9) 1_546 . . . ?
Ag1 O7 B1 O1 -115.9(5) 1_546 . . . ?
Ag1 O7 B1 O4 116.0(5) 1_546 . . . ?
Ag1 O7 B1 C36 -0.8(7) 1_546 . . . ?
Ag2 O6 N4 Zn2 115.5(4) 1_654 . . . ?
Ag2 O6 N4 C20 -64.7(8) 1_654 . . . ?
Ag2 O6 B2 O3 -65.5(6) 1_654 . . . ?
Ag2 O6 B2 O9 165.6(4) 1_654 . . . ?
Ag2 O6 B2 C56 50.4(7) 1_654 . . . ?
Zn1 O2 C1 C2 23.2(12) . . . . ?
Zn1 O2 C1 C6 -157.9(6) . . . . ?
Zn1 O5 C13 C14 8.1(12) . . . . ?
Zn1 O5 C13 C18 -172.2(6) . . . . ?
Zn1 O8 C24 C25 -160.7(8) . . . . ?
Zn1 O8 C24 C29 20.0(14) . . . . ?
Zn1 N1 C7 C2 4.4(13) . . . . ?
Zn1 N3 C19 C14 5.5(13) . . . . ?
Zn1 N5 C30 C29 -0.9(14) . . . . ?
Zn2 O2 C1 C2 168.2(6) . . . . ?
Zn2 O2 C1 C6 -13.0(12) . . . . ?
Zn2 O5 C13 C14 -177.4(6) . . . . ?
Zn2 O5 C13 C18 2.2(12) . . . . ?
Zn2 O8 C24 C25 -6.6(15) . . . . ?
Zn2 O8 C24 C29 174.1(7) . . . . ?
Zn2 N2 C8 C6 1.3(16) . . . . ?
Zn2 N4 C20 C18 -0.6(13) . . . . ?
Zn2 N6 C31 C25 7.1(16) . . . . ?
Zn3 O11 C84 C85 1.8(12) . . . . ?
Zn3 O11 C84 C89 -176.6(6) . . . . ?
Zn3 O14 C76 C77 -2.3(15) . . . . ?
Zn3 O14 C76 C81 177.9(8) . . . . ?
Zn3 O17 C93 C94 -153.5(6) . . . . ?
Zn3 O17 C93 C99 29.3(10) . . . . ?
Zn3 N12 C91 C85 -5.7(13) . . . . ?
Zn3 N14 C82 C77 4.3(14) . . . . ?
Zn3 N16 C101 C99 1.8(12) . . . . ?
Zn4 O11 C84 C85 175.5(6) . . . . ?
Zn4 O11 C84 C89 -2.9(12) . . . . ?
Zn4 O14 C76 C77 -172.2(7) . . . . ?
Zn4 O14 C76 C81 8.0(15) . . . . ?
Zn4 O17 C93 C94 -21.9(11) . . . . ?
Zn4 O17 C93 C99 160.9(6) . . . . ?
Zn4 N11 C90 C89 -3.7(16) . . . . ?
Zn4 N13 C83 C81 -2.5(19) . . . . ?
Zn4 N15 C100 C94 7.6(14) . . . . ?
O1 N1 C7 C2 -176.2(7) . . . . ?
O2 C1 C2 C3 -177.8(8) . . . . ?
O2 C1 C2 C7 0.3(13) . . . . ?
O2 C1 C6 C5 179.1(9) . . . . ?
O2 C1 C6 C8 -1.3(14) . . . . ?
O3 N2 C8 C6 175.1(9) . . . . ?
O4 N3 C19 C14 -179.2(7) . . . . ?
O5 C13 C14 C15 176.6(8) . . . . ?
O5 C13 C14 C19 -2.7(13) . . . . ?
O5 C13 C18 C17 -177.9(8) . . . . ?
O5 C13 C18 C20 2.1(13) . . . . ?
O6 N4 C20 C18 179.6(8) . . . . ?
O7 N5 C30 C29 -178.7(8) . . . . ?
O8 C24 C25 C26 179.4(11) . . . . ?
O8 C24 C25 C31 1.9(17) . . . . ?
O8 C24 C29 C28 -179.6(11) . . . . ?
O8 C24 C29 C30 -3.2(15) . . . . ?
O9 N6 C31 C25 -179.5(10) . . . . ?
O10 N11 C90 C89 175.5(9) . . . . ?
O11 C84 C85 C86 179.1(8) . . . . ?
O11 C84 C85 C91 0.8(12) . . . . ?
O11 C84 C89 C88 -179.1(8) . . . . ?
O11 C84 C89 C90 2.3(13) . . . . ?
O12 N12 C91 C85 178.4(7) . . . . ?
O13 N13 C83 C81 -179.7(11) . . . . ?
O14 C76 C77 C82 -2.0(14) . . . . ?
O14 C76 C77 C78 -171.8(12) . . . . ?
O14 C76 C77 C68A 162.8(12) . . . . ?
O14 C76 C81 C83 -0.3(17) . . . . ?
O14 C76 C81 C80 167.3(13) . . . . ?
O14 C76 C81 C66A -163.6(13) . . . . ?
O15 N14 C82 C77 179.6(8) . . . . ?
O16 N15 C100 C94 179.1(8) . . . . ?
O17 C93 C94 C96 176.8(8) . . . . ?
O17 C93 C94 C100 2.0(13) . . . . ?
O17 C93 C99 C98 -177.8(7) . . . . ?
O17 C93 C99 C101 -3.5(12) . . . . ?
O18 N16 C101 C99 -176.6(7) . . . . ?
N1 O1 B1 O4 73.7(8) . . . . ?
N1 O1 B1 O7 -53.2(8) . . . . ?
N1 O1 B1 C36 -167.0(6) . . . . ?
N2 O3 B2 O6 -57.0(9) . . . . ?
N2 O3 B2 O9 70.7(9) . . . . ?
N2 O3 B2 C56 -173.1(7) . . . . ?
N3 O4 B1 O1 -54.5(9) . . . . ?
N3 O4 B1 O7 71.7(8) . . . . ?
N3 O4 B1 C36 -173.3(6) . . . . ?
N4 O6 B2 O3 75.7(8) . . . . ?
N4 O6 B2 O9 -53.1(8) . . . . ?
N4 O6 B2 C56 -168.4(6) . . . . ?
N5 O7 B1 O1 73.8(8) . . . . ?
N5 O7 B1 O4 -54.3(8) . . . . ?
N5 O7 B1 C36 -171.0(6) . . . . ?
N6 O9 B2 O3 -53.8(9) . . . . ?
N6 O9 B2 O6 74.6(7) . . . . ?
N6 O9 B2 C56 -169.9(6) . . . . ?
N11 O10 B4 O13 71.9(11) . . . . ?
N11 O10 B4 O16 -55.1(12) . . . . ?
N11 O10 B4 C106 -172.1(8) . . . . ?
N12 O12 B3 O15 -60.2(10) . . . . ?
N12 O12 B3 O18 67.1(9) . . . . ?
N12 O12 B3 C125 -174.0(7) . . . . ?
N13 O13 B4 O10 -55.8(12) . . . . ?
N13 O13 B4 O16 71.6(11) . . . . ?
N13 O13 B4 C106 -170.2(8) . . . . ?
N14 O15 B3 O12 66.5(10) . . . . ?
N14 O15 B3 O18 -60.9(9) . . . . ?
N14 O15 B3 C125 -177.1(7) . . . . ?
N15 O16 B4 O10 63.1(10) . . . . ?
N15 O16 B4 O13 -64.1(10) . . . . ?
N15 O16 B4 C106 178.1(7) . . . . ?
N16 O18 B3 O12 -58.5(9) . . . . ?
N16 O18 B3 O15 68.6(8) . . . . ?
N16 O18 B3 C125 -177.6(6) . . . . ?
C1 C2 C3 C4 -0.8(14) . . . . ?
C1 C2 C7 N1 -14.0(14) . . . . ?
C1 C6 C8 N2 7.0(16) . . . . ?
C2 C1 C6 C5 -2.1(13) . . . . ?
C2 C1 C6 C8 177.6(8) . . . . ?
C2 C3 C4 C5 -2.9(14) . . . . ?
C2 C3 C4 C9 176.7(9) . . . . ?
C2BA C16 C17 C18 -179.3(9) . . . . ?
C3 C2 C7 N1 164.2(8) . . . . ?
C3 C4 C5 C6 4.2(15) . . . . ?
C3 C4 C9 C10 -14.2(15) . . . . ?
C3 C4 C9 C11 -131.8(11) . . . . ?
C3 C4 C9 C12 108.1(12) . . . . ?
C4 C5 C6 C1 -1.8(16) . . . . ?
C4 C5 C6 C8 178.6(10) . . . . ?
C5 C4 C9 C10 165.3(11) . . . . ?
C5 C4 C9 C11 47.7(14) . . . . ?
C5 C4 C9 C12 -72.4(13) . . . . ?
C5 C6 C8 N2 -173.3(10) . . . . ?
C6 C1 C2 C3 3.3(12) . . . . ?
C6 C1 C2 C7 -178.6(8) . . . . ?
C7 C2 C3 C4 -179.0(9) . . . . ?
C9 C4 C5 C6 -175.4(10) . . . . ?
C13 C14 C15 C16 2.8(13) . . . . ?
C13 C14 C19 N3 -4.0(13) . . . . ?
C13 C18 C20 N4 -2.9(14) . . . . ?
C14 C13 C18 C17 1.8(12) . . . . ?
C14 C13 C18 C20 -178.2(8) . . . . ?
C14 C15 C16 C2BA 178.0(8) . . . . ?
C14 C15 C16 C17 -1.2(14) . . . . ?
C15 C14 C19 N3 176.6(8) . . . . ?
C15 C16 C17 C18 -0.1(14) . . . . ?
C16 C17 C18 C13 -0.2(14) . . . . ?
C16 C17 C18 C20 179.8(9) . . . . ?
C17 C18 C20 N4 177.1(9) . . . . ?
C18 C13 C14 C15 -3.0(12) . . . . ?
C18 C13 C14 C19 177.7(7) . . . . ?
C19 C14 C15 C16 -177.8(8) . . . . ?
C24 C25 C26 C27 2(2) . . . . ?
C24 C25 C31 N6 -2.4(18) . . . . ?
C24 C29 C30 N5 -6.0(16) . . . . ?
C25 C24 C29 C28 1.0(16) . . . . ?
C25 C24 C29 C30 177.4(10) . . . . ?
C25 C26 C27 C28 -1(2) . . . . ?
C25 C26 C27 C32 -160.6(14) . . . . ?
C25 C26 C27 C32A 159.1(18) . . . . ?
C26 C25 C31 N6 180.0(12) . . . . ?
C26 C27 C28 C29 1(2) . . . . ?
C26 C27 C32 C33 105(2) . . . . ?
C26 C27 C32 C34 -140.2(18) . . . . ?
C26 C27 C32 C35A -44(2) . . . . ?
C26 C27 C32A C35 48(3) . . . . ?
C26 C27 C32A C34A -107(3) . . . . ?
C26 C27 C32A C33A 146(2) . . . . ?
C27 C28 C29 C24 -1(2) . . . . ?
C27 C28 C29 C30 -177.7(13) . . . . ?
C28 C27 C32 C33 -54(2) . . . . ?
C28 C27 C32 C34 61.1(19) . . . . ?
C28 C27 C32 C35A 157.1(16) . . . . ?
C28 C27 C32A C35 -152.4(17) . . . . ?
C28 C27 C32A C34A 53(3) . . . . ?
C28 C27 C32A C33A -55(3) . . . . ?
C28 C29 C30 N5 170.6(11) . . . . ?
C29 C24 C25 C26 -1.2(17) . . . . ?
C29 C24 C25 C31 -178.7(10) . . . . ?
C31 C25 C26 C27 179.2(14) . . . . ?
C32 C27 C28 C29 161.3(14) . . . . ?
C32 C27 C32A C35 -55.3(19) . . . . ?
C32 C27 C32A C34A 150(4) . . . . ?
C32 C27 C32A C33A 42(2) . . . . ?
C36 C37 C38 C39 0.1(13) . . . . ?
C36 C37 C38 C42 178.2(8) . . . . ?
C37 C36 C41 C40 0.5(13) . . . . ?
C37 C36 B1 O1 53.6(10) . . . . ?
C37 C36 B1 O4 176.7(7) . . . . ?
C37 C36 B1 O7 -63.9(9) . . . . ?
C37 C38 C39 C40 1.3(14) . . . . ?
C37 C38 C42 C43 148.1(9) . . . . ?
C37 C38 C42 C47 -26.6(13) . . . . ?
C38 C39 C40 C41 -1.8(14) . . . . ?
C38 C39 C40 C49 175.4(8) . . . . ?
C38 C42 C43 C44 -179.8(10) . . . . ?
C38 C42 C47 C46 179.8(9) . . . . ?
C39 C38 C42 C43 -33.9(12) . . . . ?
C39 C38 C42 C47 151.4(9) . . . . ?
C39 C40 C41 C36 0.9(13) . . . . ?
C39 C40 C49 C50 -142.7(9) . . . . ?
C39 C40 C49 C54 40.7(12) . . . . ?
C40 C49 C50 C51 -178.4(8) . . . . ?
C40 C49 C54 C53 177.8(8) . . . . ?
C41 C36 C37 C38 -1.0(13) . . . . ?
C41 C36 B1 O1 -126.4(8) . . . . ?
C41 C36 B1 O4 -3.3(11) . . . . ?
C41 C36 B1 O7 116.1(8) . . . . ?
C41 C40 C49 C50 34.5(12) . . . . ?
C41 C40 C49 C54 -142.1(9) . . . . ?
C42 C38 C39 C40 -176.8(8) . . . . ?
C42 C43 C44 C45 2.2(17) . . . . ?
C43 C42 C47 C46 5.4(16) . . . . ?
C43 C44 C45 C46 0.3(17) . . . . ?
C43 C44 C45 C48 179.7(10) . . . . ?
C44 C45 C46 C47 -0.2(17) . . . . ?
C45 C46 C47 C42 -2.6(18) . . . . ?
C47 C42 C43 C44 -5.2(16) . . . . ?
C48 C45 C46 C47 -179.6(10) . . . . ?
C49 C40 C41 C36 -176.3(8) . . . . ?
C49 C50 C51 C52 1.1(14) . . . . ?
C50 C49 C54 C53 1.5(15) . . . . ?
C50 C51 C52 C53 0.1(15) . . . . ?
C50 C51 C52 C55 -179.6(9) . . . . ?
C51 C52 C53 C54 -0.5(16) . . . . ?
C52 C53 C54 C49 -0.3(15) . . . . ?
C54 C49 C50 C51 -2.0(14) . . . . ?
C55 C52 C53 C54 179.2(10) . . . . ?
C56 C57 C58 C59 -0.8(13) . . . . ?
C56 C57 C58 C69 -179.7(8) . . . . ?
C57 C56 C61 C60 -0.5(13) . . . . ?
C57 C56 B2 O3 143.2(8) . . . . ?
C57 C56 B2 O6 22.8(11) . . . . ?
C57 C56 B2 O9 -95.8(9) . . . . ?
C57 C58 C59 C60 0.2(13) . . . . ?
C57 C58 C69 C70 31.3(13) . . . . ?
C57 C58 C69 C74 -146.8(10) . . . . ?
C58 C59 C60 C61 0.1(12) . . . . ?
C58 C59 C60 C62 179.5(8) . . . . ?
C58 C69 C70 C71 177.2(8) . . . . ?
C58 C69 C74 C73 -176.4(10) . . . . ?
C59 C58 C69 C70 -147.6(9) . . . . ?
C59 C58 C69 C74 34.4(13) . . . . ?
C59 C60 C61 C56 0.0(13) . . . . ?
C59 C60 C62 C63 -36.7(11) . . . . ?
C59 C60 C62 C67 144.5(8) . . . . ?
C60 C62 C63 C64 -177.3(7) . . . . ?
C60 C62 C67 C66 177.7(8) . . . . ?
C61 C56 C57 C58 0.9(13) . . . . ?
C61 C56 B2 O3 -35.1(11) . . . . ?
C61 C56 B2 O6 -155.5(8) . . . . ?
C61 C56 B2 O9 85.9(9) . . . . ?
C61 C60 C62 C63 142.7(8) . . . . ?
C61 C60 C62 C67 -36.2(11) . . . . ?
C62 C60 C61 C56 -179.3(8) . . . . ?
C62 C63 C64 C65 -0.1(13) . . . . ?
C63 C62 C67 C66 -1.2(12) . . . . ?
C63 C64 C65 C66 -1.8(13) . . . . ?
C63 C64 C65 C68 178.4(8) . . . . ?
C64 C65 C66 C67 2.2(13) . . . . ?
C65 C66 C67 C62 -0.7(13) . . . . ?
C67 C62 C63 C64 1.6(12) . . . . ?
C68 C65 C66 C67 -178.0(8) . . . . ?
C69 C58 C59 C60 179.1(8) . . . . ?
C69 C70 C71 C72 0.2(13) . . . . ?
C70 C69 C74 C73 5.5(15) . . . . ?
C70 C71 C72 C73 3.6(14) . . . . ?
C70 C71 C72 C75 -176.3(8) . . . . ?
C71 C72 C73 C74 -2.8(16) . . . . ?
C72 C73 C74 C69 -1.9(17) . . . . ?
C74 C69 C70 C71 -4.7(14) . . . . ?
C75 C72 C73 C74 177.1(10) . . . . ?
C76 C77 C82 N14 1.1(15) . . . . ?
C76 C77 C78 C79 -8(2) . . . . ?
C76 C77 C68A C67A 13(2) . . . . ?
C76 C81 C83 N13 -2(2) . . . . ?
C76 C81 C80 C79 18(3) . . . . ?
C76 C81 C66A C67A -11(3) . . . . ?
C77 C76 C81 C83 179.9(10) . . . . ?
C77 C76 C81 C80 -12.5(17) . . . . ?
C77 C76 C81 C66A 16.6(17) . . . . ?
C77 C78 C79 C0BA -154(2) . . . . ?
C77 C78 C79 C80 11(3) . . . . ?
C81 C76 C77 C82 177.8(9) . . . . ?
C81 C76 C77 C78 8.1(16) . . . . ?
C81 C76 C77 C68A -17.4(16) . . . . ?
C81 C66A C67A C68A 6(3) . . . . ?
C81 C66A C67A C72A 179(2) . . . . ?
C82 C77 C78 C79 -178.1(16) . . . . ?
C82 C77 C68A C67A 178.8(15) . . . . ?
C83 C81 C80 C79 -174.1(18) . . . . ?
C83 C81 C66A C67A -175.8(17) . . . . ?
C84 C85 C86 C87 0.8(13) . . . . ?
C84 C85 C91 N12 1.3(13) . . . . ?
C84 C89 C90 N11 0.9(15) . . . . ?
C85 C84 C89 C88 2.4(12) . . . . ?
C85 C84 C89 C90 -176.2(8) . . . . ?
C85 C86 C87 C88 1.0(13) . . . . ?
C85 C86 C87 C92 -179.2(9) . . . . ?
C86 C85 C91 N12 -177.1(8) . . . . ?
C86 C87 C88 C89 -1.0(14) . . . . ?
C86 C87 C92 C0AA 71.2(16) . . . . ?
C86 C87 C92 C1G -161.4(16) . . . . ?
C86 C87 C92 C3BA -43.4(15) . . . . ?
C86 C87 C92 C1H 53.5(15) . . . . ?
C86 C87 C92 C3BB -70.3(16) . . . . ?
C86 C87 C92 C147 171.8(15) . . . . ?
C87 C88 C89 C84 -0.7(14) . . . . ?
C87 C88 C89 C90 178.0(9) . . . . ?
C88 C87 C92 C0AA -109.0(15) . . . . ?
C88 C87 C92 C1G 18.4(19) . . . . ?
C88 C87 C92 C3BA 136.4(13) . . . . ?
C88 C87 C92 C1H -126.7(14) . . . . ?
C88 C87 C92 C3BB 109.5(15) . . . . ?
C88 C87 C92 C147 -8.4(18) . . . . ?
C88 C89 C90 N11 -177.8(9) . . . . ?
C89 C84 C85 C86 -2.5(12) . . . . ?
C89 C84 C85 C91 179.3(8) . . . . ?
C91 C85 C86 C87 179.2(8) . . . . ?
C92 C87 C88 C89 179.2(9) . . . . ?
C93 C94 C96 C97 2.6(14) . . . . ?
C93 C94 C100 N15 5.0(15) . . . . ?
C93 C99 C101 N16 -12.5(12) . . . . ?
C94 C93 C99 C98 4.9(11) . . . . ?
C94 C93 C99 C101 179.2(7) . . . . ?
C94 C96 C97 C98 1.8(14) . . . . ?
C94 C96 C97 C102 -174.0(9) . . . . ?
C96 C94 C100 N15 -170.0(9) . . . . ?
C96 C97 C98 C99 -2.8(13) . . . . ?
C96 C97 C102 C103 179.4(10) . . . . ?
C96 C97 C102 C104 58.2(13) . . . . ?
C96 C97 C102 C105 -59.6(12) . . . . ?
C97 C98 C99 C93 -0.6(12) . . . . ?
C97 C98 C99 C101 -175.3(8) . . . . ?
C98 C97 C102 C103 3.9(14) . . . . ?
C98 C97 C102 C104 -117.3(11) . . . . ?
C98 C97 C102 C105 125.0(10) . . . . ?
C98 C99 C101 N16 162.0(8) . . . . ?
C99 C93 C94 C96 -5.9(12) . . . . ?
C99 C93 C94 C100 179.3(8) . . . . ?
C100 C94 C96 C97 177.9(9) . . . . ?
C102 C97 C98 C99 172.8(8) . . . . ?
C106 C107 C108 C109 -3.0(13) . . . . ?
C106 C107 C108 C112 174.9(8) . . . . ?
C107 C106 C111 C110 -2.8(13) . . . . ?
C107 C106 B4 O10 40.0(11) . . . . ?
C107 C106 B4 O13 159.3(9) . . . . ?
C107 C106 B4 O16 -80.2(11) . . . . ?
C107 C108 C109 C110 0.4(12) . . . . ?
C107 C108 C112 C113 -18.7(12) . . . . ?
C107 C108 C112 C117 163.3(8) . . . . ?
C108 C109 C110 C111 0.8(12) . . . . ?
C108 C109 C110 C119 179.3(8) . . . . ?
C108 C112 C113 C114 178.0(9) . . . . ?
C108 C112 C117 C116 -177.8(9) . . . . ?
C109 C108 C112 C113 159.2(9) . . . . ?
C109 C108 C112 C117 -18.9(13) . . . . ?
C109 C110 C111 C106 0.4(13) . . . . ?
C109 C110 C119 C120 15.2(12) . . . . ?
C109 C110 C119 C124 -164.0(9) . . . . ?
C110 C119 C120 C121 -179.5(9) . . . . ?
C110 C119 C124 C123 -178.8(10) . . . . ?
C111 C106 C107 C108 4.1(14) . . . . ?
C111 C106 B4 O10 -133.8(9) . . . . ?
C111 C106 B4 O13 -14.5(12) . . . . ?
C111 C106 B4 O16 106.0(10) . . . . ?
C111 C110 C119 C120 -166.3(8) . . . . ?
C111 C110 C119 C124 14.5(13) . . . . ?
C112 C108 C109 C110 -177.5(7) . . . . ?
C112 C113 C114 C115 0.3(16) . . . . ?
C113 C112 C117 C116 4.1(13) . . . . ?
C113 C114 C115 C116 3.1(16) . . . . ?
C113 C114 C115 C118 -174.4(10) . . . . ?
C114 C115 C116 C117 -2.9(15) . . . . ?
C115 C116 C117 C112 -0.8(15) . . . . ?
C117 C112 C113 C114 -3.8(14) . . . . ?
C118 C115 C116 C117 174.6(9) . . . . ?
C119 C110 C111 C106 -178.2(8) . . . . ?
C119 C120 C121 C122 -2.5(16) . . . . ?
C120 C119 C124 C123 2.1(16) . . . . ?
C120 C121 C122 C123 3.7(18) . . . . ?
C120 C121 C122 C6AA -164.8(16) . . . . ?
C120 C121 C122 C1I 167.8(14) . . . . ?
C121 C122 C123 C124 -2.0(19) . . . . ?
C121 C122 C1I N18A 141(12) . . . . ?
C122 C123 C124 C119 -0.9(19) . . . . ?
C123 C122 C1I N18A -55(13) . . . . ?
C124 C119 C120 C121 -0.4(14) . . . . ?
C125 C126 C127 C128 2.7(13) . . . . ?
C125 C126 C127 C138 -176.0(8) . . . . ?
C126 C125 C130 C129 1.2(13) . . . . ?
C126 C125 B3 O12 -40.0(11) . . . . ?
C126 C125 B3 O15 -158.9(8) . . . . ?
C126 C125 B3 O18 81.7(10) . . . . ?
C126 C127 C128 C129 -1.8(13) . . . . ?
C126 C127 C138 C139 27.0(12) . . . . ?
C126 C127 C138 C143 -155.3(9) . . . . ?
C127 C128 C129 C130 0.6(13) . . . . ?
C127 C128 C129 C131 -178.8(8) . . . . ?
C127 C138 C139 C140 178.6(9) . . . . ?
C127 C138 C143 C142 -178.4(9) . . . . ?
C128 C127 C138 C139 -151.7(9) . . . . ?
C128 C127 C138 C143 26.0(13) . . . . ?
C128 C129 C130 C125 -0.4(13) . . . . ?
C128 C129 C131 C132 -32.1(14) . . . . ?
C128 C129 C131 C136 152.7(10) . . . . ?
C129 C131 C132 C133 -177.2(11) . . . . ?
C129 C131 C136 C135 176.8(10) . . . . ?
C130 C125 C126 C127 -2.4(13) . . . . ?
C130 C125 B3 O12 142.4(8) . . . . ?
C130 C125 B3 O15 23.5(11) . . . . ?
C130 C125 B3 O18 -95.9(9) . . . . ?
C130 C129 C131 C132 148.5(10) . . . . ?
C130 C129 C131 C136 -26.7(14) . . . . ?
C131 C129 C130 C125 179.1(8) . . . . ?
C131 C132 C133 C134 2(2) . . . . ?
C132 C131 C136 C135 1.4(16) . . . . ?
C132 C133 C134 C135 -1(2) . . . . ?
C132 C133 C134 C137 178.0(12) . . . . ?
C133 C134 C135 C136 0.3(18) . . . . ?
C134 C135 C136 C131 -0.7(17) . . . . ?
C136 C131 C132 C133 -1.9(18) . . . . ?
C137 C134 C135 C136 -178.5(11) . . . . ?
C138 C127 C128 C129 176.9(8) . . . . ?
C138 C139 C140 C141 -0.7(15) . . . . ?
C139 C138 C143 C142 -0.7(15) . . . . ?
C139 C140 C141 C142 0.5(15) . . . . ?
C139 C140 C141 C144 179.7(10) . . . . ?
C140 C141 C142 C143 -0.3(15) . . . . ?
C141 C142 C143 C138 0.4(15) . . . . ?
C143 C138 C139 C140 0.8(14) . . . . ?
C144 C141 C142 C143 -179.6(10) . . . . ?
B1 O1 N1 Zn1 -17.5(8) . . . . ?
B1 O1 N1 C7 162.9(7) . . . . ?
B1 O4 N3 Zn1 -13.3(8) . . . . ?
B1 O4 N3 C19 170.7(7) . . . . ?
B1 O7 N5 Zn1 -14.8(7) . . . . ?
B1 O7 N5 C30 163.4(7) . . . . ?
B1 C36 C37 C38 179.0(8) . . . . ?
B1 C36 C41 C40 -179.6(8) . . . . ?
B2 O3 N2 Zn2 -12.4(9) . . . . ?
B2 O3 N2 C8 172.9(8) . . . . ?
B2 O6 N4 Zn2 -17.6(8) . . . . ?
B2 O6 N4 C20 162.3(7) . . . . ?
B2 O9 N6 Zn2 -15.2(8) . . . . ?
B2 O9 N6 C31 170.4(8) . . . . ?
B2 C56 C57 C58 -177.5(8) . . . . ?
B2 C56 C61 C60 177.9(8) . . . . ?
B3 O12 N12 Zn3 -4.0(9) . . . . ?
B3 O12 N12 C91 172.5(7) . . . . ?
B3 O15 N14 Zn3 -3.6(9) . . . . ?
B3 O15 N14 C82 -179.8(8) . . . . ?
B3 O18 N16 Zn3 -10.3(8) . . . . ?
B3 O18 N16 C101 168.3(7) . . . . ?
B3 C125 C126 C127 179.9(8) . . . . ?
B3 C125 C130 C129 178.9(8) . . . . ?
B4 O10 N11 Zn4 -12.7(11) . . . . ?
B4 O10 N11 C90 167.9(9) . . . . ?
B4 O13 N13 Zn4 -10.8(12) . . . . ?
B4 O13 N13 C83 166.8(10) . . . . ?
B4 O16 N15 Zn4 -1.4(10) . . . . ?
B4 O16 N15 C100 -174.0(8) . . . . ?
B4 C106 C107 C108 -169.9(8) . . . . ?
B4 C106 C111 C110 171.2(8) . . . . ?
C0BA C79 C80 C81 147(2) . . . . ?
C1BA C0BA C79 C78 -155(2) . . . . ?
C1BA C0BA C79 C80 41(3) . . . . ?
C6AA C122 C123 C124 167.8(15) . . . . ?
C6AA C122 C1I N18A 20(11) . . . . ?
C7AA C0BA C79 C78 75(3) . . . . ?
C7AA C0BA C79 C80 -88(3) . . . . ?
C9AA C0BA C79 C78 -47(3) . . . . ?
C9AA C0BA C79 C80 149(2) . . . . ?
C21 C2BA C16 C15 129.7(12) . . . . ?
C21 C2BA C16 C17 -51.2(15) . . . . ?
C21A C2BA C16 C15 4.4(17) . . . . ?
C21A C2BA C16 C17 -176.5(14) . . . . ?
C23 C2BA C16 C15 -114.4(15) . . . . ?
C23 C2BA C16 C17 64.7(16) . . . . ?
C78 C77 C82 N14 171.3(12) . . . . ?
C78 C77 C68A C67A -84(4) . . . . ?
C78 C79 C80 C81 -17(3) . . . . ?
C80 C81 C83 N13 -169.7(14) . . . . ?
C80 C81 C66A C67A 81(3) . . . . ?
C1I C122 C123 C124 -164.9(16) . . . . ?
C22 C2BA C16 C15 41.6(16) . . . . ?
C22 C2BA C16 C17 -139.3(13) . . . . ?
C22A C2BA C16 C15 -75.5(16) . . . . ?
C22A C2BA C16 C17 103.6(15) . . . . ?
C23A C2BA C16 C15 165.9(12) . . . . ?
C23A C2BA C16 C17 -14.9(15) . . . . ?
C66A C81 C83 N13 162.0(14) . . . . ?
C66A C81 C80 C79 -84(3) . . . . ?
C66A C67A C68A C77 -7(3) . . . . ?
C66A C67A C72A C73A 28(4) . . . . ?
C66A C67A C72A C74A -105(3) . . . . ?
C66A C67A C72A C75A 140(3) . . . . ?
C68A C77 C82 N14 -164.4(12) . . . . ?
C68A C77 C78 C79 89(4) . . . . ?
C68A C67A C72A C73A -158(2) . . . . ?
C68A C67A C72A C74A 68(3) . . . . ?
C68A C67A C72A C75A -46(3) . . . . ?
C72A C67A C68A C77 179(2) . . . . ?
C32A C27 C28 C29 -159.6(18) . . . . ?
C32A C27 C32 C33 -156(3) . . . . ?
C32A C27 C32 C34 -41(2) . . . . ?
C32A C27 C32 C35A 55(2) . . . . ?


loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.203 -0.216 0.258 182 20 ' '
2 0.051 0.261 0.429 232 23 ' '
3 -0.076 0.460 0.747 67 13 ' '
4 0.615 0.786 0.392 61 8 ' '
_platon_squeeze_details          ?
_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_13
_database_code_depnum_ccdc_archive 'CCDC 1481129'
_audit_update_record             
;
2016-05-20 deposited with the CCDC.
2016-08-26 downloaded from the CCDC.
;
_vrf_THETM01_13                  
;
PROBLEM: The value of sin(theta_max)/wavelength is less than 0.575
            Calculated sin(theta_max)/wavelength =    0.5613
RESPONSE: Despite the use of a high-intensity laboratory source, few 
reflections at high angles were observed. Nevertheless, 
the quality of the data is clearly sufficient to establish the connectivity 
of the structure. 
;

_audit_creation_date             2016-04-15
_audit_creation_method           
;
Olex2 1.2
(compiled 2016.02.19 svn.r3266 for OlexSys, GUI svn.r5155)
;
_shelxl_version_number           2014-3
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         
'C118 H64 Ag3 B4 Co4 N22 O18, C6 H4 Cl2, C H3 O'
_chemical_formula_sum            'C125 H71 Ag3 B4 Cl2 Co4 N22 O19'
_chemical_formula_weight         2858.50
_chemical_absolute_configuration ?
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0030 0.0020 '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 -0.9190 1.0610 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0010 0.0010 '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'
Co Co 0.3550 0.9320 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0060 0.0030 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0110 0.0060 '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           33
_space_group_name_H-M_alt        'P n a 21'
_space_group_name_Hall           'P 2c -2n'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z+1/2'
'x+1/2, -y+1/2, z'
'-x+1/2, y+1/2, z+1/2'

_cell_length_a                   40.6211(2)
_cell_length_b                   14.72200(10)
_cell_length_c                   34.9798(3)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     20918.8(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    37196
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      1.50
_cell_measurement_theta_min      22.75
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.626
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.396
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'CrysAlisPro 1.171.38.41 (Rigaku Oxford Diffraction, 2015) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm.'
_exptl_crystal_colour            'orange clear'
_exptl_crystal_colour_primary    'orange clear'
_exptl_crystal_density_diffrn    0.908
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             5720
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.02
_exptl_special_details           
;
 ?
;
_oxdiff_exptl_absorpt_empirical_full_min 0.633
_oxdiff_exptl_absorpt_empirical_full_max 1.823
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
- B-factor correction
;
_diffrn_source                   synchrotron
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.69710
_diffrn_radiation_monochromator  synchrotron
_diffrn_measurement_device       'abstract diffractometer'
_diffrn_measurement_device_type  
'dectris-CrysAlisPro-abstract goniometer imported dectris images'
_diffrn_detector                 'CCD plate'
_diffrn_reflns_number            89199
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  ?
_diffrn_reflns_av_unetI/netI     0.0223
_diffrn_reflns_Laue_measured_fraction_full 0.680
_diffrn_reflns_Laue_measured_fraction_max 0.829
_diffrn_reflns_limit_h_max       45
_diffrn_reflns_limit_h_min       -43
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       38
_diffrn_reflns_limit_l_min       -38
_diffrn_reflns_point_group_measured_fraction_full 0.680
_diffrn_reflns_point_group_measured_fraction_max 0.831
_diffrn_reflns_theta_full        24.725
_diffrn_reflns_theta_max         23.036
_diffrn_reflns_theta_min         1.507
_diffrn_ambient_temperature      120.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.680
_diffrn_measured_fraction_theta_max 0.829
_diffrn_measurement_method       'phi and omega scans'
_reflns_Friedel_coverage         0.965
_reflns_Friedel_fraction_full    0.681
_reflns_Friedel_fraction_max     0.832
_reflns_number_gt                21882
_reflns_number_total             25055
_reflns_special_details          
;
 Data were apparently pre-merged, so _diffrn_reflns_number
 etc. will have to be added later.
 
 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 1.171.38.41 (Rigaku Oxford Diffraction, 2015)'
_computing_data_collection       
'CrysAlisPro 1.171.38.41 (Rigaku Oxford Diffraction, 2015)'
_computing_data_reduction        
'CrysAlisPro 1.171.38.41 (Rigaku Oxford Diffraction, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL2014 (Sheldrick, 2015)'
_computing_structure_solution    Sir2014
_refine_diff_density_max         0.950
_refine_diff_density_min         -0.745
_refine_diff_density_rms         0.090
_refine_ls_abs_structure_details 
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.31(3)
_refine_ls_extinction_coef       0.00062(5)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.065
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1558
_refine_ls_number_reflns         25055
_refine_ls_number_restraints     397
_refine_ls_R_factor_all          0.0947
_refine_ls_R_factor_gt           0.0877
_refine_ls_restrained_S_all      1.290
_refine_ls_shift/su_max          0.013
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0500P)²+100.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2011
_refine_ls_wR_factor_ref         0.2042
_refine_special_details          SQUEEZE
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.69(3) 0.31(3)
2. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
3. Restrained distances
 O2S-C14S
 1.4 with sigma of 0.02
 O1S-C13S
 1.4 with sigma of 0.02
 O1S-Ag2 \\sim Ag2-O2S
 with sigma of 0.02
4. Uiso/Uaniso restraints and constraints
Uanis(Ag2) \\sim Ueq: with sigma of 0.002 and sigma for terminal atoms of 0.002
Uanis(C3S) \\sim Ueq, Uanis(C5S) \\sim Ueq, Uanis(C45) \\sim Ueq, Uanis(C66)
\\sim Ueq, Uanis(C74) \\sim Ueq, Uanis(N20) \\sim Ueq: with sigma of 0.006 and
sigma for terminal atoms of 0.006
Uanis(C11S) \\sim Ueq, Uanis(N21) \\sim Ueq, Uanis(C89) \\sim Ueq, Uanis(C59)
\\sim Ueq, Uanis(C8) \\sim Ueq: with sigma of 0.006 and sigma for terminal
atoms of 0.006
Uanis(C70) \\sim Ueq, Uanis(C73) \\sim Ueq, Uanis(C87) \\sim Ueq, Uanis(C88)
\\sim Ueq, Uanis(C1A) \\sim Ueq, Uanis(C48) \\sim Ueq: with sigma of 0.006 and
sigma for terminal atoms of 0.006
Uanis(C104) = Uanis(C106) = Uanis(C105) = Uanis(C107) = Uanis(C109) =
Uanis(C108)
Uanis(C53) = Uanis(C54) = Uanis(C55) = Uanis(C56) = Uanis(C57) = Uanis(C58) =
Uanis(C59)
5. Rigid body (RIGU) restrains
 C114, C115, C113, C116, N19
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C2AA, C1A, C101, C100
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C102, C103, C99, C1A, N22
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C51, C50, C49, C46
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C8S, C9S, C10S, C11S, C12S, C7S
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C1S, C2S, C3S, C4S, C5S, C6S
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C52, C46, C47, C48, C49, C50, N7
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C26, C27, C28, C30, N10
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C41, C42, C43, C45, N11
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C69, C70, C71, C74, N20, C68
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C56, C59, C57, C58, C55
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C83, C84, C85, C78, C88
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C47, C46, C51
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
6. Others
 Fixed Sof: Cl3S(0.5) Cl4S(0.5) C11S(0.5) H11S(0.5) C12S(0.5) H12S(0.5)
 C7S(0.5) C8S(0.5) C9S(0.5) H9S(0.5) C10S(0.5) H10S(0.5) Cl1S(0.5) Cl2S(0.5)
 C3S(0.5) H3S(0.5) C2S(0.5) C1S(0.5) C6S(0.5) H6S(0.5) C5S(0.5) H5S(0.5)
 C4S(0.5) H4S(0.5) O1S(0.5) O2S(0.5) C13S(0.5) H13A(0.5) H13B(0.5) H13C(0.5)
 C14S(0.5) H14A(0.5) H14B(0.5) H14C(0.5)
 Fixed Uiso: C13S(0.1) C14S(0.1)
7.a Aromatic/amide H refined with riding coordinates:
 C3(H3), C5(H5), C7(H7), C8(H8), C10(H10), C11(H11), C13(H13), C14(H14),
 C18(H18), C20(H20), C22(H22), C23(H23), C25(H25), C29(H29), C28(H28), C26(H26),
  C33(H33), C35(H35), C37(H37), C38(H38), C40(H40), C41(H41), C43(H43),
 C44(H44), C51(H51), C50(H50), C48(H48), C47(H47), C54(H54), C55(H55), C57(H57),
  C58(H58), C62(H62), C64(H64), C66(H66), C67(H67), C69(H69), C70(H70),
 C72(H72), C73(H73), C77(H77), C79(H79), C81(H81), C82(H82), C84(H84), C85(H85),
  C87(H87), C88(H88), C92(H92), C94(H94), C96(H96), C97(H97), C99(H99),
 C100(H100), C1A(H1A), C2AA(H2AA), C104(H104), C105(H105), C107(H107),
 C108(H108), C111(H111), C112(H112), C114(H114), C115(H115), C11S(H11S),
 C12S(H12S), C9S(H9S), C10S(H10S), C3S(H3S), C6S(H6S), C5S(H5S), C4S(H4S)
7.b Fitted hexagon refined as free rotating group:
 C25(C24,C29,C28,C27,C26), C51(C50,C49,C48,C47,C46), C103(C104,C105,C106,C107,
 C108), C11S(C12S,C7S,C8S,C9S,C10S), C3S(C2S,C1S,C6S,C5S,C4S)
7.c Idealised Me refined as rotating group:
 C13S(H13A,H13B,H13C), C14S(H14A,H14B,H14C)
;
_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
Ag1 Ag 0.15723(5) -0.28706(17) -0.87041(6) 0.1699(11) Uani 1 1 d . . . . .
Ag2 Ag -0.12844(8) -1.0101(2) -1.20573(10) 0.2670(16) Uani 1 1 d D U . . .
Ag3 Ag -0.07017(5) -2.17738(15) -1.01361(6) 0.1543(9) Uani 1 1 d . . . . .
Co1 Co 0.12599(4) -0.29201(14) -1.28426(7) 0.0733(6) Uani 1 1 d . . . . .
Co2 Co 0.07614(4) -0.43454(14) -1.26981(7) 0.0723(6) Uani 1 1 d . . . . .
Co3 Co -0.33184(4) -1.56327(14) -1.11355(7) 0.0711(6) Uani 1 1 d . . . . .
Co4 Co -0.38070(4) -1.70819(13) -1.09630(7) 0.0680(6) Uani 1 1 d . . . . .
O1 O 0.1453(2) -0.1057(7) -1.3123(4) 0.095(4) Uani 1 1 d . . . . .
O2 O 0.0746(2) -0.3010(7) -1.2870(3) 0.080(3) Uani 1 1 d . . . . .
O3 O 0.0057(2) -0.4984(7) -1.2622(4) 0.096(4) Uani 1 1 d . . . . .
N22 N -0.1216(5) -2.1505(19) -1.0384(9) 0.221(13) Uani 1 1 d . U . . .
O4 O 0.1885(3) -0.2231(7) -1.3206(4) 0.101(4) Uani 1 1 d . . . . .
O5 O 0.1153(2) -0.4181(7) -1.3075(4) 0.083(3) Uani 1 1 d . . . . .
O6 O 0.0435(2) -0.6122(7) -1.2881(4) 0.088(3) Uani 1 1 d . . . . .
O7 O 0.1788(2) -0.1595(7) -1.2580(4) 0.086(3) Uani 1 1 d . . . . .
O8 O 0.1129(2) -0.3715(7) -1.2376(4) 0.075(3) Uani 1 1 d . . . . .
O9 O 0.0444(2) -0.5736(7) -1.2190(4) 0.086(3) Uani 1 1 d . . . . .
O10 O -0.3024(3) -1.3785(8) -1.1015(4) 0.112(5) Uani 1 1 d . . . . .
O11 O -0.3713(2) -1.5785(7) -1.0752(3) 0.075(3) Uani 1 1 d . . . . .
O12 O -0.4409(2) -1.7786(6) -1.0541(3) 0.074(3) Uani 1 1 d . . . . .
O13 O -0.3003(2) -1.4302(7) -1.1663(4) 0.091(4) Uani 1 1 d . . . . .
O14 O -0.3681(2) -1.6361(7) -1.1449(3) 0.072(3) Uani 1 1 d . . . . .
O15 O -0.4331(2) -1.8411(7) -1.1190(4) 0.081(3) Uani 1 1 d . . . . .
O16 O -0.2623(2) -1.4922(7) -1.1199(4) 0.093(4) Uani 1 1 d . . . . .
O17 O -0.3293(2) -1.6959(7) -1.0922(4) 0.080(3) Uani 1 1 d . . . . .
O18 O -0.3990(2) -1.8927(6) -1.0676(3) 0.076(3) Uani 1 1 d . . . . .
N1 N 0.1191(3) -0.1629(9) -1.3053(4) 0.081(4) Uani 1 1 d . . . . .
N2 N 0.0241(2) -0.4250(8) -1.2718(5) 0.092(5) Uani 1 1 d . . . . .
N3 N 0.1663(3) -0.2977(10) -1.3201(5) 0.084(4) Uani 1 1 d . . . . .
N4 N 0.0708(3) -0.5555(9) -1.2977(4) 0.078(4) Uani 1 1 d . . . . .
N5 N 0.1575(3) -0.2326(9) -1.2450(6) 0.091(5) Uani 1 1 d . . . . .
N6 N 0.0679(3) -0.5053(8) -1.2195(4) 0.067(3) Uani 1 1 d . . . . .
N7 N 0.2969(5) 0.1814(15) -1.3398(7) 0.175(10) Uani 1 1 d . U . . .
N8 N -0.0891(4) -0.9245(12) -1.2200(7) 0.152(8) Uani 1 1 d . . . . .
N9 N -0.1241(4) 0.1735(13) -1.3646(6) 0.133(7) Uani 1 1 d . . . . .
N10 N 0.2615(4) -0.9246(17) -1.4607(9) 0.195(12) Uani 1 1 d . U . . .
N11 N 0.1632(5) -0.3352(16) -0.9300(6) 0.153(9) Uani 1 1 d . U . . .
N12 N -0.3249(3) -1.4995(9) -1.1639(5) 0.083(4) Uani 1 1 d . . . . .
N13 N -0.4137(2) -1.7722(8) -1.1338(4) 0.065(3) Uani 1 1 d . . . . .
N14 N -0.3286(3) -1.4336(9) -1.0892(5) 0.084(4) Uani 1 1 d . . . . .
N15 N -0.4200(3) -1.7039(10) -1.0579(4) 0.074(4) Uani 1 1 d . . . . .
N16 N -0.2804(3) -1.5699(9) -1.1106(4) 0.075(4) Uani 1 1 d . . . . .
N17 N -0.3712(2) -1.8349(7) -1.0761(4) 0.072(4) Uani 1 1 d . . . . .
N18 N -0.1630(7) -1.0896(19) -1.1742(9) 0.242(16) Uani 1 1 d . . . . .
N19 N -0.5384(3) -2.2107(11) -1.0293(5) 0.107(5) Uani 1 1 d . U . . .
N20 N -0.4992(7) -1.1156(19) -0.8737(8) 0.189(9) Uani 1 1 d . U . . .
N21 N -0.4311(5) -1.6576(15) -1.4539(7) 0.143(7) Uani 1 1 d . U . . .
C1 C 0.0510(3) -0.2436(11) -1.2977(5) 0.078(5) Uani 1 1 d . . . . .
C2 C 0.0581(3) -0.1551(10) -1.3111(5) 0.073(5) Uani 1 1 d . . . . .
C3 C 0.0328(4) -0.0927(11) -1.3215(6) 0.090(6) Uani 1 1 d . . . . .
H3 H 0.0383 -0.0324 -1.3306 0.108 Uiso 1 1 calc R . . . .
C4 C 0.0001(4) -0.1196(12) -1.3185(5) 0.083(5) Uani 1 1 d . . . . .
C5 C -0.0066(3) -0.2065(11) -1.3045(6) 0.090(6) Uani 1 1 d . . . . .
H5 H -0.0295 -0.2248 -1.3021 0.108 Uiso 1 1 calc R . . . .
C6 C 0.0163(3) -0.2651(10) -1.2946(5) 0.079(5) Uani 1 1 d . . . . .
C7 C 0.0923(4) -0.1225(11) -1.3129(6) 0.087(5) Uani 1 1 d . . . . .
H7 H 0.0948 -0.0601 -1.3213 0.104 Uiso 1 1 calc R . . . .
C8 C 0.0054(4) -0.3515(11) -1.2810(5) 0.075(4) Uani 1 1 d . U . . .
H8 H -0.0182 -0.3585 -1.2779 0.090 Uiso 1 1 calc R . . . .
C9 C -0.0260(3) -0.0546(12) -1.3283(6) 0.090(6) Uani 1 1 d . . . . .
C10 C -0.0222(3) 0.0072(11) -1.3561(6) 0.087(6) Uani 1 1 d . . . . .
H10 H -0.0014 0.0106 -1.3696 0.105 Uiso 1 1 calc R . . . .
C11 C -0.0484(4) 0.0685(12) -1.3663(6) 0.101(6) Uani 1 1 d . . . . .
H11 H -0.0460 0.1107 -1.3874 0.121 Uiso 1 1 calc R . . . .
C12 C -0.0775(4) 0.0651(14) -1.3447(6) 0.094(6) Uani 1 1 d . . . . .
C13 C -0.0827(4) 0.0073(13) -1.3160(6) 0.098(6) Uani 1 1 d . . . . .
H13 H -0.1034 0.0076 -1.3021 0.118 Uiso 1 1 calc R . . . .
C14 C -0.0566(5) -0.0565(13) -1.3061(6) 0.107(6) Uani 1 1 d . . . . .
H14 H -0.0594 -0.0993 -1.2853 0.128 Uiso 1 1 calc R . . . .
C15 C -0.1037(4) 0.1255(14) -1.3547(6) 0.105(7) Uani 1 1 d . . . . .
C16 C 0.1304(4) -0.4727(11) -1.3307(5) 0.078(5) Uani 1 1 d . . . . .
C17 C 0.1187(3) -0.5611(12) -1.3384(5) 0.078(5) Uani 1 1 d . . . . .
C18 C 0.1364(4) -0.6244(12) -1.3595(6) 0.099(6) Uani 1 1 d . . . . .
H18 H 0.1275 -0.6849 -1.3636 0.119 Uiso 1 1 calc R . . . .
C19 C 0.1682(3) -0.5995(14) -1.3757(6) 0.094(6) Uani 1 1 d . . . . .
C20 C 0.1794(3) -0.5133(13) -1.3683(6) 0.096(6) Uani 1 1 d . . . . .
H20 H 0.2008 -0.4971 -1.3787 0.115 Uiso 1 1 calc R . . . .
C21 C 0.1629(3) -0.4467(12) -1.3472(6) 0.080(5) Uani 1 1 d . . . . .
C22 C 0.1774(4) -0.3631(13) -1.3422(6) 0.097(6) Uani 1 1 d . . . . .
H22 H 0.1975 -0.3514 -1.3562 0.116 Uiso 1 1 calc R . . . .
C23 C 0.0894(4) -0.6023(14) -1.3231(6) 0.107(7) Uani 1 1 d . . . . .
H23 H 0.0831 -0.6631 -1.3309 0.128 Uiso 1 1 calc R . . . .
C25 C 0.1733(2) -0.7402(10) -1.4171(5) 0.164(13) Uani 1 1 d . . . . .
H25 H 0.1495 -0.7430 -1.4186 0.197 Uiso 1 1 calc R . . . .
C24 C 0.1884(3) -0.6713(9) -1.3963(5) 0.116(8) Uani 1 1 d G . . . .
C29 C 0.2226(3) -0.6672(9) -1.3942(4) 0.124(8) Uani 1 1 d G . . . .
H29 H 0.2331 -0.6192 -1.3797 0.149 Uiso 1 1 calc R . . . .
C28 C 0.2416(2) -0.7320(10) -1.4128(5) 0.149(10) Uani 1 1 d G U . . .
H28 H 0.2654 -0.7292 -1.4113 0.178 Uiso 1 1 calc R . . . .
C27 C 0.2265(3) -0.8009(9) -1.4336(5) 0.143(9) Uani 1 1 d G U . . .
C26 C 0.1924(3) -0.8050(10) -1.4357(5) 0.172(12) Uani 1 1 d G U . . .
H26 H 0.1818 -0.8530 -1.4502 0.207 Uiso 1 1 calc R . . . .
C30 C 0.2486(5) -0.8770(19) -1.4439(10) 0.174(12) Uani 1 1 d . U . . .
C31 C 0.1199(3) -0.3719(9) -1.2010(6) 0.065(4) Uani 1 1 d . . . . .
C32 C 0.1441(3) -0.3093(11) -1.1854(5) 0.073(4) Uani 1 1 d . . . . .
C33 C 0.1516(3) -0.3114(10) -1.1470(6) 0.074(5) Uani 1 1 d . . . . .
H33 H 0.1684 -0.2703 -1.1376 0.089 Uiso 1 1 calc R . . . .
C34 C 0.1366(4) -0.3684(10) -1.1211(6) 0.088(6) Uani 1 1 d . . . . .
C35 C 0.1130(3) -0.4282(11) -1.1365(6) 0.087(6) Uani 1 1 d . . . . .
H35 H 0.1017 -0.4689 -1.1190 0.105 Uiso 1 1 calc R . . . .
C36 C 0.1047(4) -0.4327(11) -1.1755(5) 0.075(5) Uani 1 1 d . . . . .
C37 C 0.1619(3) -0.2463(12) -1.2071(6) 0.078(5) Uani 1 1 d . . . . .
H37 H 0.1785 -0.2102 -1.1941 0.093 Uiso 1 1 calc R . . . .
C38 C 0.0802(3) -0.5006(9) -1.1861(5) 0.066(4) Uani 1 1 d . . . . .
H38 H 0.0730 -0.5439 -1.1669 0.079 Uiso 1 1 calc R . . . .
C39 C 0.1434(4) -0.3710(11) -1.0800(6) 0.082(5) Uani 1 1 d . . . . .
C40 C 0.1758(4) -0.3490(11) -1.0671(7) 0.093(6) Uani 1 1 d . . . . .
H40 H 0.1933 -0.3361 -1.0852 0.111 Uiso 1 1 calc R . . . .
C41 C 0.1822(5) -0.3463(12) -1.0258(6) 0.099(5) Uani 1 1 d . U . . .
H41 H 0.2045 -0.3365 -1.0168 0.119 Uiso 1 1 calc R . . . .
C42 C 0.1583(5) -0.3569(13) -1.0008(7) 0.108(5) Uani 1 1 d . U . . .
C43 C 0.1237(5) -0.3820(11) -1.0154(7) 0.100(6) Uani 1 1 d . U . . .
H43 H 0.1059 -0.3952 -0.9979 0.120 Uiso 1 1 calc R . . . .
C44 C 0.1192(5) -0.3850(12) -1.0545(6) 0.089(5) Uani 1 1 d . . . . .
H44 H 0.0973 -0.3981 -1.0641 0.106 Uiso 1 1 calc R . . . .
C45 C 0.1630(6) -0.3481(17) -0.9627(8) 0.125(7) Uani 1 1 d . U . . .
C51 C 0.2263(3) -0.0380(9) -1.2791(3) 0.109(6) Uani 1 1 d . U . . .
H51 H 0.2251 -0.0654 -1.2539 0.131 Uiso 1 1 calc R . . . .
C50 C 0.2498(3) 0.0284(9) -1.2867(4) 0.119(6) Uani 1 1 d G U . . .
H50 H 0.2649 0.0473 -1.2668 0.142 Uiso 1 1 calc R . . . .
C49 C 0.2515(3) 0.0676(9) -1.3228(4) 0.117(7) Uani 1 1 d G U . . .
C48 C 0.2298(4) 0.0406(10) -1.3513(3) 0.132(6) Uani 1 1 d G U . . .
H48 H 0.2310 0.0680 -1.3765 0.159 Uiso 1 1 calc R . . . .
C47 C 0.2063(3) -0.0258(10) -1.3437(3) 0.158(11) Uani 1 1 d G U . . .
H47 H 0.1911 -0.0447 -1.3636 0.190 Uiso 1 1 calc R . . . .
C46 C 0.2046(2) -0.0650(7) -1.3076(4) 0.085(4) Uani 1 1 d G U . . .
C52 C 0.2768(5) 0.1292(16) -1.3333(7) 0.135(8) Uani 1 1 d . U . . .
C53 C -0.0009(5) -0.6605(14) -1.2447(6) 0.103(2) Uani 1 1 d . . . . .
C54 C -0.0133(4) -0.7162(12) -1.2734(6) 0.103(2) Uani 1 1 d . . . . .
H54 H -0.0047 -0.7056 -1.2989 0.124 Uiso 1 1 calc R . . . .
C55 C -0.0373(4) -0.7876(12) -1.2698(6) 0.103(2) Uani 1 1 d . U . . .
H55 H -0.0457 -0.8219 -1.2914 0.124 Uiso 1 1 calc R . . . .
C56 C -0.0472(5) -0.8023(14) -1.2332(6) 0.103(2) Uani 1 1 d . U . . .
C57 C -0.0362(4) -0.7541(13) -1.2067(6) 0.103(2) Uani 1 1 d . U . . .
H57 H -0.0447 -0.7664 -1.1812 0.124 Uiso 1 1 calc R . . . .
C58 C -0.0120(4) -0.6810(13) -1.2101(6) 0.103(2) Uani 1 1 d . U . . .
H58 H -0.0043 -0.6484 -1.1877 0.124 Uiso 1 1 calc R . . . .
C59 C -0.0715(5) -0.8672(14) -1.2270(6) 0.103(2) Uani 1 1 d . U . . .
C60 C -0.3865(3) -1.5202(11) -1.0516(5) 0.074(5) Uani 1 1 d . . . . .
C61 C -0.3745(4) -1.4346(12) -1.0452(5) 0.080(5) Uani 1 1 d . . . . .
C62 C -0.3913(3) -1.3750(10) -1.0187(5) 0.081(5) Uani 1 1 d . . . . .
H62 H -0.3825 -1.3148 -1.0140 0.097 Uiso 1 1 calc R . . . .
C63 C -0.4198(3) -1.4025(11) -0.9999(5) 0.074(5) Uani 1 1 d . . . . .
C64 C -0.4319(3) -1.4868(10) -1.0099(6) 0.082(5) Uani 1 1 d . . . . .
H64 H -0.4532 -1.5047 -0.9999 0.099 Uiso 1 1 calc R . . . .
C65 C -0.4155(3) -1.5471(11) -1.0334(5) 0.077(5) Uani 1 1 d . . . . .
C66 C -0.3450(4) -1.3972(12) -1.0639(5) 0.073(4) Uani 1 1 d . U . . .
H66 H -0.3376 -1.3379 -1.0554 0.088 Uiso 1 1 calc R . . . .
C67 C -0.4308(3) -1.6404(11) -1.0387(6) 0.079(5) Uani 1 1 d . . . . .
H67 H -0.4514 -1.6512 -1.0255 0.095 Uiso 1 1 calc R . . . .
C68 C -0.4359(3) -1.3371(10) -0.9745(5) 0.069(4) Uani 1 1 d . U . . .
C69 C -0.4198(4) -1.2824(12) -0.9529(5) 0.088(5) Uani 1 1 d . U . . .
H69 H -0.3960 -1.2811 -0.9554 0.106 Uiso 1 1 calc R . . . .
C70 C -0.4341(5) -1.2245(14) -0.9258(6) 0.106(5) Uani 1 1 d . U . . .
H70 H -0.4208 -1.1882 -0.9085 0.127 Uiso 1 1 calc R . . . .
C71 C -0.4666(6) -1.2218(15) -0.9248(7) 0.112(6) Uani 1 1 d . U . . .
C72 C -0.4857(5) -1.2705(13) -0.9471(7) 0.106(6) Uani 1 1 d . . . . .
H72 H -0.5094 -1.2656 -0.9450 0.127 Uiso 1 1 calc R . . . .
C73 C -0.4715(5) -1.3302(15) -0.9742(6) 0.106(6) Uani 1 1 d . U . . .
H73 H -0.4850 -1.3650 -0.9917 0.127 Uiso 1 1 calc R . . . .
C74 C -0.4856(7) -1.162(2) -0.8953(9) 0.155(8) Uani 1 1 d . U . . .
C75 C -0.3776(3) -1.6359(10) -1.1826(5) 0.068(4) Uani 1 1 d . . . . .
C76 C -0.3634(3) -1.5731(8) -1.2075(5) 0.057(4) Uani 1 1 d . . . . .
C77 C -0.3734(3) -1.5758(10) -1.2470(5) 0.066(4) Uani 1 1 d . . . . .
H77 H -0.3636 -1.5328 -1.2647 0.079 Uiso 1 1 calc R . . . .
C78 C -0.3955(4) -1.6349(10) -1.2604(5) 0.070(4) Uani 1 1 d . U . . .
C79 C -0.4099(3) -1.6951(11) -1.2303(5) 0.075(5) Uani 1 1 d . . . . .
H79 H -0.4260 -1.7397 -1.2385 0.090 Uiso 1 1 calc R . . . .
C80 C -0.4024(3) -1.6926(9) -1.1927(5) 0.059(4) Uani 1 1 d . . . . .
C81 C -0.3371(3) -1.5107(11) -1.1972(6) 0.080(5) Uani 1 1 d . . . . .
H81 H -0.3278 -1.4741 -1.2177 0.095 Uiso 1 1 calc R . . . .
C82 C -0.4187(3) -1.7597(9) -1.1695(5) 0.062(4) Uani 1 1 d . . . . .
H82 H -0.4347 -1.7985 -1.1819 0.075 Uiso 1 1 calc R . . . .
C83 C -0.4040(4) -1.6382(10) -1.2994(5) 0.071(4) Uani 1 1 d . U . . .
C84 C -0.3811(4) -1.6185(12) -1.3275(6) 0.090(5) Uani 1 1 d . U . . .
H84 H -0.3590 -1.6025 -1.3195 0.108 Uiso 1 1 calc R . . . .
C85 C -0.3880(4) -1.6204(11) -1.3676(6) 0.086(5) Uani 1 1 d . U . . .
H85 H -0.3717 -1.6042 -1.3867 0.104 Uiso 1 1 calc R . . . .
C86 C -0.4202(5) -1.6474(11) -1.3774(6) 0.100(6) Uani 1 1 d . . . . .
C87 C -0.4451(4) -1.6676(11) -1.3514(5) 0.081(5) Uani 1 1 d . U . . .
H87 H -0.4670 -1.6834 -1.3603 0.097 Uiso 1 1 calc R . . . .
C88 C -0.4381(4) -1.6646(11) -1.3132(5) 0.076(4) Uani 1 1 d . U . . .
H88 H -0.4551 -1.6794 -1.2948 0.091 Uiso 1 1 calc R . . . .
C89 C -0.4250(5) -1.6547(16) -1.4197(7) 0.114(7) Uani 1 1 d . U . . .
C90 C -0.3061(4) -1.7531(13) -1.0862(5) 0.086(5) Uani 1 1 d . . . . .
C91 C -0.2718(3) -1.7272(13) -1.0935(6) 0.091(6) Uani 1 1 d . . . . .
C92 C -0.2472(4) -1.7938(13) -1.0856(7) 0.108(7) Uani 1 1 d . . . . .
H92 H -0.2244 -1.7746 -1.0880 0.130 Uiso 1 1 calc R . . . .
C93 C -0.2523(3) -1.8799(12) -1.0751(6) 0.091(6) Uani 1 1 d . . . . .
C94 C -0.2866(3) -1.9005(11) -1.0688(5) 0.075(5) Uani 1 1 d . . . . .
H94 H -0.2922 -1.9612 -1.0601 0.089 Uiso 1 1 calc R . . . .
C95 C -0.3110(3) -1.8424(12) -1.0741(6) 0.087(6) Uani 1 1 d . . . . .
C96 C -0.2622(3) -1.6350(10) -1.1030(6) 0.085(6) Uani 1 1 d . . . . .
H96 H -0.2387 -1.6229 -1.1034 0.102 Uiso 1 1 calc R . . . .
C97 C -0.3439(3) -1.8817(11) -1.0685(5) 0.078(5) Uani 1 1 d . . . . .
H97 H -0.3458 -1.9434 -1.0590 0.093 Uiso 1 1 calc R . . . .
C98 C -0.2251(4) -1.9442(12) -1.0688(6) 0.088(5) Uani 1 1 d . . . . .
C99 C -0.1972(4) -1.9349(17) -1.0889(8) 0.141(9) Uani 1 1 d . U . . .
H99 H -0.1962 -1.8882 -1.1084 0.169 Uiso 1 1 calc R . . . .
C100 C -0.1686(5) -1.9918(16) -1.0827(7) 0.126(7) Uani 1 1 d . U . . .
H100 H -0.1486 -1.9821 -1.0972 0.152 Uiso 1 1 calc R . . . .
C101 C -0.1704(5) -2.0554(17) -1.0575(7) 0.128(8) Uani 1 1 d . U . . .
C102 C -0.1433(6) -2.1100(19) -1.0498(12) 0.207(15) Uani 1 1 d . U . . .
C1A C -0.2000(5) -2.0711(16) -1.0369(7) 0.125(6) Uani 1 1 d . U . . .
H1A H -0.2015 -2.1195 -1.0182 0.150 Uiso 1 1 calc R . . . .
C2AA C -0.2279(5) -2.0127(17) -1.0447(7) 0.130(8) Uani 1 1 d . U . . .
H2AA H -0.2488 -2.0241 -1.0321 0.156 Uiso 1 1 calc R . . . .
C103 C -0.2554(3) -1.3336(8) -1.1420(4) 0.095(6) Uani 1 1 d . U . . .
C104 C -0.2445(4) -1.2733(10) -1.1142(3) 0.160(5) Uani 1 1 d G . . . .
H104 H -0.2523 -1.2788 -1.0881 0.192 Uiso 1 1 calc R . . . .
C105 C -0.2223(4) -1.2051(11) -1.1237(4) 0.160(5) Uani 1 1 d G . . . .
H105 H -0.2147 -1.1630 -1.1043 0.192 Uiso 1 1 calc R . . . .
C106 C -0.2111(4) -1.1972(10) -1.1611(4) 0.160(5) Uani 1 1 d G . . . .
C107 C -0.2220(4) -1.2575(11) -1.1889(3) 0.160(5) Uani 1 1 d G . . . .
H107 H -0.2142 -1.2519 -1.2150 0.192 Uiso 1 1 calc R . . . .
C108 C -0.2442(3) -1.3257(10) -1.1793(4) 0.160(5) Uani 1 1 d G . . . .
H108 H -0.2518 -1.3677 -1.1988 0.192 Uiso 1 1 calc R . . . .
C109 C -0.1841(6) -1.1422(18) -1.1687(8) 0.160(5) Uani 1 1 d . . . . .
C110 C -0.4570(3) -1.9390(11) -1.0676(5) 0.080(5) Uani 1 1 d . . . . .
C111 C -0.4553(4) -1.9830(13) -1.0323(6) 0.097(6) Uani 1 1 d . . . . .
H111 H -0.4393 -1.9637 -1.0135 0.116 Uiso 1 1 calc R . . . .
C112 C -0.4756(4) -2.0513(13) -1.0245(6) 0.104(6) Uani 1 1 d . . . . .
H112 H -0.4727 -2.0833 -1.0004 0.124 Uiso 1 1 calc R . . . .
C113 C -0.4987(4) -2.0773(11) -1.0470(6) 0.087(5) Uani 1 1 d . U . . .
C114 C -0.5006(4) -2.0388(11) -1.0829(6) 0.091(5) Uani 1 1 d . U . . .
H114 H -0.5172 -2.0607 -1.1006 0.109 Uiso 1 1 calc R . . . .
C115 C -0.4799(3) -1.9707(11) -1.0944(6) 0.089(5) Uani 1 1 d . U . . .
H115 H -0.4810 -1.9455 -1.1200 0.107 Uiso 1 1 calc R . . . .
C116 C -0.5213(4) -2.1531(13) -1.0360(6) 0.103(6) Uani 1 1 d . U . . .
B1 B 0.1780(4) -0.1440(14) -1.2966(7) 0.075(5) Uani 1 1 d . . . . .
B2 B 0.0247(4) -0.5813(13) -1.2521(7) 0.083(6) Uani 1 1 d . . . . .
B3 B -0.2814(4) -1.4151(13) -1.1308(6) 0.072(5) Uani 1 1 d . . . . .
B4 B -0.4303(4) -1.8610(12) -1.0773(6) 0.066(5) Uani 1 1 d . . . . .
Cl3S Cl -0.3369(2) -1.8905(10) -1.1654(4) 0.145(5) Uani 0.5 1 d . . P . .
Cl4S Cl -0.2721(3) -2.0202(7) -1.1600(3) 0.124(4) Uani 0.5 1 d . . P . .
C11S C -0.2683(5) -1.7199(10) -1.1960(5) 0.076(7) Uani 0.5 1 d . U P . .
H11S H -0.2672 -1.6567 -1.2038 0.091 Uiso 0.5 1 calc R . P . .
C12S C -0.2981(4) -1.7562(12) -1.1837(5) 0.068(6) Uani 0.5 1 d G U P . .
H12S H -0.3176 -1.7184 -1.1828 0.082 Uiso 0.5 1 calc R . P . .
C7S C -0.2998(4) -1.8467(13) -1.1725(5) 0.059(6) Uani 0.5 1 d G U P . .
C8S C -0.2718(5) -1.9008(10) -1.1737(6) 0.077(7) Uani 0.5 1 d G U P . .
C9S C -0.2420(4) -1.8645(13) -1.1861(6) 0.091(9) Uani 0.5 1 d G U P . .
H9S H -0.2225 -1.9022 -1.1869 0.109 Uiso 0.5 1 calc R . P . .
C10S C -0.2403(4) -1.7740(14) -1.1972(6) 0.090(9) Uani 0.5 1 d G U P . .
H10S H -0.2196 -1.7486 -1.2059 0.108 Uiso 0.5 1 calc R . P . .
Cl1S Cl -0.3564(3) -1.8472(10) -1.2550(4) 0.143(5) Uani 0.5 1 d . . P . .
Cl2S Cl -0.3008(3) -1.7436(8) -1.2960(3) 0.121(4) Uani 0.5 1 d . . P . .
C3S C -0.2675(5) -1.9021(16) -1.2890(7) 0.104(9) Uani 0.5 1 d . U P . .
H3S H -0.2497 -1.8700 -1.3015 0.124 Uiso 0.5 1 calc R . P . .
C2S C -0.2967(6) -1.8569(11) -1.2805(6) 0.091(8) Uani 0.5 1 d G U P . .
C1S C -0.3222(4) -1.9029(14) -1.2625(6) 0.072(6) Uani 0.5 1 d G U P . .
C6S C -0.3187(4) -1.9941(14) -1.2531(5) 0.075(7) Uani 0.5 1 d G U P . .
H6S H -0.3365 -2.0262 -1.2406 0.090 Uiso 0.5 1 calc R . P . .
C5S C -0.2896(5) -2.0393(12) -1.2617(6) 0.090(8) Uani 0.5 1 d G U P . .
H5S H -0.2871 -2.1030 -1.2551 0.108 Uiso 0.5 1 calc R . P . .
C4S C -0.2640(4) -1.9933(16) -1.2796(7) 0.110(11) Uani 0.5 1 d G U P . .
H4S H -0.2437 -2.0248 -1.2856 0.132 Uiso 0.5 1 calc R . P . .
O1S O -0.1070(4) -1.2365(11) -1.2400(5) 0.057(4) Uiso 0.5 1 d D . P . .
O2S O -0.1422(6) -0.7806(14) -1.1599(6) 0.092(6) Uiso 0.5 1 d D . P . .
C13S C -0.0906(8) -1.280(2) -1.2654(9) 0.100 Uiso 0.5 1 d D . P . .
H13A H -0.0976 -1.2599 -1.2909 0.150 Uiso 0.5 1 calc GR . P . .
H13B H -0.0945 -1.3450 -1.2627 0.150 Uiso 0.5 1 calc GR . P . .
H13C H -0.0670 -1.2669 -1.2622 0.150 Uiso 0.5 1 calc GR . P . .
C14S C -0.1614(8) -0.718(2) -1.1434(10) 0.100 Uiso 0.5 1 d D . P . .
H14A H -0.1599 -0.6611 -1.1577 0.150 Uiso 0.5 1 calc GR . P . .
H14B H -0.1540 -0.7081 -1.1170 0.150 Uiso 0.5 1 calc GR . P . .
H14C H -0.1842 -0.7396 -1.1433 0.150 Uiso 0.5 1 calc GR . 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
Ag1 N7 2.201(17) 4_545 ?
Ag1 N9 2.156(16) 2 ?
Ag1 N11 2.21(2) . ?
Ag2 N8 2.096(16) . ?
Ag2 N18 2.14(2) . ?
Ag3 N22 2.30(2) . ?
Ag3 N19 2.164(13) 3_505 ?
Ag3 N21 2.11(2) 4_445 ?
Co1 Co2 2.960(3) . ?
Co1 O2 2.096(8) . ?
Co1 O5 2.073(11) . ?
Co1 O8 2.077(12) . ?
Co1 N1 2.057(13) . ?
Co1 N3 2.063(13) . ?
Co1 N5 2.071(16) . ?
Co2 O2 2.057(11) . ?
Co2 O5 2.082(10) . ?
Co2 O8 2.087(11) . ?
Co2 N2 2.120(10) . ?
Co2 N4 2.043(14) . ?
Co2 N6 2.072(13) . ?
Co3 Co4 2.976(2) . ?
Co3 O11 2.104(10) . ?
Co3 O14 2.125(11) . ?
Co3 O17 2.093(11) . ?
Co3 N12 2.016(17) . ?
Co3 N14 2.094(14) . ?
Co3 N16 2.094(11) . ?
Co4 O11 2.082(10) . ?
Co4 O14 2.068(11) . ?
Co4 O17 2.102(8) . ?
Co4 N13 2.098(13) . ?
Co4 N15 2.087(13) . ?
Co4 N17 2.031(11) . ?
O1 N1 1.382(14) . ?
O1 B1 1.54(2) . ?
O2 C1 1.330(17) . ?
O3 N2 1.357(15) . ?
O3 B2 1.49(2) . ?
N22 C102 1.14(3) . ?
O4 N3 1.419(15) . ?
O4 B1 1.50(2) . ?
O5 C16 1.295(17) . ?
O6 N4 1.428(14) . ?
O6 B2 1.54(2) . ?
O7 N5 1.452(15) . ?
O7 B1 1.37(2) . ?
O8 C31 1.312(19) . ?
O9 N6 1.388(14) . ?
O9 B2 1.41(2) . ?
O10 N14 1.405(14) . ?
O10 B3 1.44(2) . ?
O11 C60 1.340(19) . ?
O12 N15 1.395(14) . ?
O12 B4 1.52(2) . ?
O13 N12 1.432(15) . ?
O13 B3 1.48(2) . ?
O14 C75 1.376(19) . ?
O15 N13 1.384(15) . ?
O15 B4 1.49(2) . ?
O16 N16 1.399(14) . ?
O16 B3 1.42(2) . ?
O17 C90 1.279(19) . ?
O18 N17 1.446(13) . ?
O18 B4 1.399(19) . ?
N1 C7 1.27(2) . ?
N2 C8 1.361(18) . ?
N3 C22 1.31(2) . ?
N4 C23 1.35(2) . ?
N5 C37 1.35(2) . ?
N6 C38 1.274(18) . ?
N7 Ag1 2.201(17) 4_554 ?
N7 C52 1.14(2) . ?
N8 C59 1.13(2) . ?
N9 Ag1 2.156(16) 2_554 ?
N9 C15 1.14(2) . ?
N10 C30 1.06(3) . ?
N11 C45 1.16(3) . ?
N12 C81 1.28(2) . ?
N13 C82 1.279(19) . ?
N14 C66 1.230(19) . ?
N15 C67 1.231(18) . ?
N16 C96 1.241(17) . ?
N17 C97 1.331(17) . ?
N18 C109 1.17(2) . ?
N19 Ag3 2.164(13) 3_405 ?
N19 C116 1.121(19) . ?
N20 C74 1.16(3) . ?
N21 Ag3 2.11(2) 4_454 ?
N21 C89 1.22(3) . ?
C1 C2 1.41(2) . ?
C1 C6 1.447(19) . ?
C2 C3 1.43(2) . ?
C2 C7 1.47(2) . ?
C3 H3 0.9700 . ?
C3 C4 1.39(2) . ?
C4 C5 1.40(2) . ?
C4 C9 1.47(2) . ?
C5 H5 0.9700 . ?
C5 C6 1.317(19) . ?
C6 C8 1.43(2) . ?
C7 H7 0.9700 . ?
C8 H8 0.9700 . ?
C9 C10 1.34(2) . ?
C9 C14 1.47(2) . ?
C10 H10 0.9700 . ?
C10 C11 1.44(2) . ?
C11 H11 0.9700 . ?
C11 C12 1.40(2) . ?
C12 C13 1.33(2) . ?
C12 C15 1.43(2) . ?
C13 H13 0.9700 . ?
C13 C14 1.46(2) . ?
C14 H14 0.9700 . ?
C16 C17 1.41(2) . ?
C16 C21 1.49(2) . ?
C17 C18 1.39(2) . ?
C17 C23 1.44(2) . ?
C18 H18 0.9700 . ?
C18 C19 1.46(2) . ?
C19 C20 1.37(2) . ?
C19 C24 1.52(2) . ?
C20 H20 0.9700 . ?
C20 C21 1.40(2) . ?
C21 C22 1.38(2) . ?
C22 H22 0.9700 . ?
C23 H23 0.9700 . ?
C25 H25 0.9700 . ?
C25 C24 1.3900 . ?
C25 C26 1.3900 . ?
C24 C29 1.3900 . ?
C29 H29 0.9700 . ?
C29 C28 1.3900 . ?
C28 H28 0.9700 . ?
C28 C27 1.3900 . ?
C27 C26 1.3900 . ?
C27 C30 1.48(3) . ?
C26 H26 0.9700 . ?
C31 C32 1.45(2) . ?
C31 C36 1.41(2) . ?
C32 C33 1.38(2) . ?
C32 C37 1.40(2) . ?
C33 H33 0.9700 . ?
C33 C34 1.38(2) . ?
C34 C35 1.41(2) . ?
C34 C39 1.47(3) . ?
C35 H35 0.9700 . ?
C35 C36 1.41(2) . ?
C36 C38 1.46(2) . ?
C37 H37 0.9700 . ?
C38 H38 0.9700 . ?
C39 C40 1.43(2) . ?
C39 C44 1.34(2) . ?
C40 H40 0.9700 . ?
C40 C41 1.47(3) . ?
C41 H41 0.9700 . ?
C41 C42 1.31(3) . ?
C42 C43 1.54(3) . ?
C42 C45 1.35(3) . ?
C43 H43 0.9700 . ?
C43 C44 1.38(3) . ?
C44 H44 0.9700 . ?
C51 H51 0.9700 . ?
C51 C50 1.3900 . ?
C51 C46 1.3900 . ?
C50 H50 0.9700 . ?
C50 C49 1.3900 . ?
C49 C48 1.3900 . ?
C49 C52 1.419(19) . ?
C48 H48 0.9700 . ?
C48 C47 1.3900 . ?
C47 H47 0.9700 . ?
C47 C46 1.3900 . ?
C46 B1 1.63(2) . ?
C53 C54 1.39(3) . ?
C53 C58 1.33(3) . ?
C53 B2 1.58(2) . ?
C54 H54 0.9700 . ?
C54 C55 1.44(2) . ?
C55 H55 0.9700 . ?
C55 C56 1.36(3) . ?
C56 C57 1.25(2) . ?
C56 C59 1.39(2) . ?
C57 H57 0.9700 . ?
C57 C58 1.46(2) . ?
C58 H58 0.9700 . ?
C60 C61 1.37(2) . ?
C60 C65 1.395(19) . ?
C61 C62 1.45(2) . ?
C61 C66 1.47(2) . ?
C62 H62 0.9700 . ?
C62 C63 1.39(2) . ?
C63 C64 1.38(2) . ?
C63 C68 1.46(2) . ?
C64 H64 0.9700 . ?
C64 C65 1.38(2) . ?
C65 C67 1.52(2) . ?
C66 H66 0.9700 . ?
C67 H67 0.9700 . ?
C68 C69 1.28(2) . ?
C68 C73 1.45(2) . ?
C69 H69 0.9700 . ?
C69 C70 1.40(2) . ?
C70 H70 0.9700 . ?
C70 C71 1.32(3) . ?
C71 C72 1.31(3) . ?
C71 C74 1.56(3) . ?
C72 H72 0.9700 . ?
C72 C73 1.41(3) . ?
C73 H73 0.9700 . ?
C75 C76 1.395(19) . ?
C75 C80 1.36(2) . ?
C76 C77 1.44(2) . ?
C76 C81 1.46(2) . ?
C77 H77 0.9700 . ?
C77 C78 1.33(2) . ?
C78 C79 1.49(2) . ?
C78 C83 1.41(2) . ?
C79 H79 0.9700 . ?
C79 C80 1.35(2) . ?
C80 C82 1.44(2) . ?
C81 H81 0.9700 . ?
C82 H82 0.9700 . ?
C83 C84 1.38(2) . ?
C83 C88 1.52(2) . ?
C84 H84 0.9700 . ?
C84 C85 1.43(2) . ?
C85 H85 0.9700 . ?
C85 C86 1.41(2) . ?
C86 C87 1.39(2) . ?
C86 C89 1.50(3) . ?
C87 H87 0.9700 . ?
C87 C88 1.37(2) . ?
C88 H88 0.9700 . ?
C90 C91 1.47(2) . ?
C90 C95 1.40(2) . ?
C91 C92 1.43(2) . ?
C91 C96 1.45(2) . ?
C92 H92 0.9700 . ?
C92 C93 1.34(2) . ?
C93 C94 1.445(19) . ?
C93 C98 1.47(2) . ?
C94 H94 0.9700 . ?
C94 C95 1.32(2) . ?
C95 C97 1.471(19) . ?
C96 H96 0.9700 . ?
C97 H97 0.9700 . ?
C98 C99 1.34(3) . ?
C98 C2AA 1.32(3) . ?
C99 H99 0.9700 . ?
C99 C100 1.45(3) . ?
C100 H100 0.9700 . ?
C100 C101 1.29(3) . ?
C101 C102 1.39(3) . ?
C101 C1A 1.42(3) . ?
C1A H1A 0.9700 . ?
C1A C2AA 1.45(3) . ?
C2AA H2AA 0.9700 . ?
C103 C104 1.3900 . ?
C103 C108 1.3900 . ?
C103 B3 1.644(18) . ?
C104 H104 0.9700 . ?
C104 C105 1.3900 . ?
C105 H105 0.9700 . ?
C105 C106 1.3900 . ?
C106 C107 1.3900 . ?
C106 C109 1.39(2) . ?
C107 H107 0.9700 . ?
C107 C108 1.3900 . ?
C108 H108 0.9700 . ?
C110 C111 1.40(2) . ?
C110 C115 1.40(2) . ?
C110 B4 1.62(2) . ?
C111 H111 0.9700 . ?
C111 C112 1.33(2) . ?
C112 H112 0.9700 . ?
C112 C113 1.28(2) . ?
C113 C114 1.38(2) . ?
C113 C116 1.50(2) . ?
C114 H114 0.9700 . ?
C114 C115 1.37(2) . ?
C115 H115 0.9700 . ?
Cl3S C7S 1.658(15) . ?
Cl4S C8S 1.821(18) . ?
C11S H11S 0.9700 . ?
C11S C12S 1.3900 . ?
C11S C10S 1.3900 . ?
C12S H12S 0.9700 . ?
C12S C7S 1.3900 . ?
C7S C8S 1.3900 . ?
C8S C9S 1.3900 . ?
C9S H9S 0.9700 . ?
C9S C10S 1.3900 . ?
C10S H10S 0.9700 . ?
Cl1S C1S 1.635(18) . ?
Cl2S C2S 1.76(2) . ?
C3S H3S 0.9700 . ?
C3S C2S 1.3900 . ?
C3S C4S 1.3900 . ?
C2S C1S 1.3900 . ?
C1S C6S 1.3900 . ?
C6S H6S 0.9700 . ?
C6S C5S 1.3900 . ?
C5S H5S 0.9700 . ?
C5S C4S 1.3900 . ?
C4S H4S 0.9700 . ?
O1S C13S 1.28(2) . ?
O2S C14S 1.34(2) . ?
C13S H13A 0.9800 . ?
C13S H13B 0.9800 . ?
C13S H13C 0.9800 . ?
C14S H14A 0.9800 . ?
C14S H14B 0.9800 . ?
C14S H14C 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
N7 Ag1 N11 107.4(7) 4_545 . ?
N9 Ag1 N7 130.3(7) 2 4_545 ?
N9 Ag1 N11 113.9(7) 2 . ?
N8 Ag2 N18 162.7(12) . . ?
N19 Ag3 N22 125.3(8) 3_505 . ?
N21 Ag3 N22 111.8(9) 4_445 . ?
N21 Ag3 N19 110.0(7) 4_445 3_505 ?
O2 Co1 Co2 44.0(3) . . ?
O5 Co1 Co2 44.7(3) . . ?
O5 Co1 O2 73.6(4) . . ?
O5 Co1 O8 75.6(5) . . ?
O8 Co1 Co2 44.8(3) . . ?
O8 Co1 O2 75.2(4) . . ?
N1 Co1 Co2 128.5(3) . . ?
N1 Co1 O2 84.6(5) . . ?
N1 Co1 O5 131.2(6) . . ?
N1 Co1 O8 140.0(5) . . ?
N1 Co1 N3 85.9(6) . . ?
N1 Co1 N5 86.1(6) . . ?
N3 Co1 Co2 128.2(4) . . ?
N3 Co1 O2 139.6(6) . . ?
N3 Co1 O5 83.8(5) . . ?
N3 Co1 O8 131.1(5) . . ?
N3 Co1 N5 85.9(6) . . ?
N5 Co1 Co2 127.5(5) . . ?
N5 Co1 O2 132.3(5) . . ?
N5 Co1 O5 140.2(5) . . ?
N5 Co1 O8 82.9(5) . . ?
O2 Co2 Co1 45.1(2) . . ?
O2 Co2 O5 74.2(4) . . ?
O2 Co2 O8 75.8(4) . . ?
O2 Co2 N2 84.0(4) . . ?
O2 Co2 N6 136.3(5) . . ?
O5 Co2 Co1 44.4(3) . . ?
O5 Co2 O8 75.2(5) . . ?
O5 Co2 N2 137.2(6) . . ?
O8 Co2 Co1 44.6(3) . . ?
O8 Co2 N2 134.5(5) . . ?
N2 Co2 Co1 129.0(4) . . ?
N4 Co2 Co1 127.5(4) . . ?
N4 Co2 O2 133.6(5) . . ?
N4 Co2 O5 83.1(5) . . ?
N4 Co2 O8 136.2(4) . . ?
N4 Co2 N2 86.3(5) . . ?
N4 Co2 N6 87.2(6) . . ?
N6 Co2 Co1 127.7(4) . . ?
N6 Co2 O5 136.1(5) . . ?
N6 Co2 O8 83.2(5) . . ?
N6 Co2 N2 84.3(6) . . ?
O11 Co3 Co4 44.4(3) . . ?
O11 Co3 O14 75.3(4) . . ?
O14 Co3 Co4 44.0(3) . . ?
O17 Co3 Co4 44.9(2) . . ?
O17 Co3 O11 73.2(4) . . ?
O17 Co3 O14 75.4(4) . . ?
O17 Co3 N14 134.6(5) . . ?
O17 Co3 N16 83.6(4) . . ?
N12 Co3 Co4 127.2(4) . . ?
N12 Co3 O11 135.5(4) . . ?
N12 Co3 O14 83.1(5) . . ?
N12 Co3 O17 137.7(5) . . ?
N12 Co3 N14 85.5(6) . . ?
N12 Co3 N16 85.8(5) . . ?
N14 Co3 Co4 127.8(3) . . ?
N14 Co3 O11 83.5(4) . . ?
N14 Co3 O14 135.4(5) . . ?
N16 Co3 Co4 128.5(4) . . ?
N16 Co3 O11 136.4(5) . . ?
N16 Co3 O14 133.9(5) . . ?
N16 Co3 N14 87.7(5) . . ?
O11 Co4 Co3 45.0(3) . . ?
O11 Co4 O17 73.4(4) . . ?
O11 Co4 N13 138.6(5) . . ?
O11 Co4 N15 83.3(5) . . ?
O14 Co4 Co3 45.6(3) . . ?
O14 Co4 O11 77.0(4) . . ?
O14 Co4 O17 76.5(4) . . ?
O14 Co4 N13 82.8(5) . . ?
O14 Co4 N15 134.6(5) . . ?
O17 Co4 Co3 44.7(3) . . ?
N13 Co4 Co3 128.4(4) . . ?
N13 Co4 O17 135.7(5) . . ?
N15 Co4 Co3 128.2(4) . . ?
N15 Co4 O17 135.5(5) . . ?
N15 Co4 N13 85.8(5) . . ?
N17 Co4 Co3 127.0(3) . . ?
N17 Co4 O11 133.1(5) . . ?
N17 Co4 O14 135.2(5) . . ?
N17 Co4 O17 82.3(4) . . ?
N17 Co4 N13 85.8(5) . . ?
N17 Co4 N15 87.2(6) . . ?
N1 O1 B1 112.2(12) . . ?
Co2 O2 Co1 90.9(4) . . ?
C1 O2 Co1 133.6(9) . . ?
C1 O2 Co2 135.4(8) . . ?
N2 O3 B2 115.2(9) . . ?
C102 N22 Ag3 158(3) . . ?
N3 O4 B1 114.5(11) . . ?
Co1 O5 Co2 90.8(5) . . ?
C16 O5 Co1 134.7(9) . . ?
C16 O5 Co2 133.2(9) . . ?
N4 O6 B2 113.9(12) . . ?
B1 O7 N5 114.8(14) . . ?
Co1 O8 Co2 90.6(5) . . ?
C31 O8 Co1 135.5(9) . . ?
C31 O8 Co2 132.9(9) . . ?
N6 O9 B2 115.9(12) . . ?
N14 O10 B3 116.8(12) . . ?
Co4 O11 Co3 90.6(4) . . ?
C60 O11 Co3 132.4(9) . . ?
C60 O11 Co4 136.2(8) . . ?
N15 O12 B4 114.0(10) . . ?
N12 O13 B3 115.0(13) . . ?
Co4 O14 Co3 90.4(5) . . ?
C75 O14 Co3 133.5(9) . . ?
C75 O14 Co4 136.1(9) . . ?
N13 O15 B4 117.8(11) . . ?
N16 O16 B3 115.4(10) . . ?
Co3 O17 Co4 90.4(4) . . ?
C90 O17 Co3 135.1(9) . . ?
C90 O17 Co4 133.2(10) . . ?
B4 O18 N17 117.6(10) . . ?
O1 N1 Co1 121.4(9) . . ?
C7 N1 Co1 128.7(11) . . ?
C7 N1 O1 109.8(12) . . ?
O3 N2 Co2 119.2(8) . . ?
O3 N2 C8 112.6(10) . . ?
C8 N2 Co2 128.1(9) . . ?
O4 N3 Co1 118.7(10) . . ?
C22 N3 Co1 131.1(11) . . ?
C22 N3 O4 110.0(12) . . ?
O6 N4 Co2 118.6(10) . . ?
C23 N4 Co2 134.3(11) . . ?
C23 N4 O6 106.9(12) . . ?
O7 N5 Co1 118.2(13) . . ?
C37 N5 Co1 131.9(11) . . ?
C37 N5 O7 109.9(14) . . ?
O9 N6 Co2 119.2(10) . . ?
C38 N6 Co2 133.6(10) . . ?
C38 N6 O9 107.3(12) . . ?
C52 N7 Ag1 147(2) . 4_554 ?
C59 N8 Ag2 168.7(19) . . ?
C15 N9 Ag1 164(2) . 2_554 ?
C45 N11 Ag1 168.5(19) . . ?
O13 N12 Co3 118.6(11) . . ?
C81 N12 Co3 133.2(11) . . ?
C81 N12 O13 108.0(15) . . ?
O15 N13 Co4 117.3(10) . . ?
C82 N13 Co4 130.3(10) . . ?
C82 N13 O15 112.3(12) . . ?
O10 N14 Co3 116.8(10) . . ?
C66 N14 Co3 131.0(10) . . ?
C66 N14 O10 112.1(14) . . ?
O12 N15 Co4 120.1(10) . . ?
C67 N15 Co4 130.2(11) . . ?
C67 N15 O12 109.3(12) . . ?
O16 N16 Co3 118.3(9) . . ?
C96 N16 Co3 130.0(10) . . ?
C96 N16 O16 111.6(11) . . ?
O18 N17 Co4 117.6(7) . . ?
C97 N17 Co4 134.8(10) . . ?
C97 N17 O18 107.6(11) . . ?
C109 N18 Ag2 158(3) . . ?
C116 N19 Ag3 177.2(18) . 3_405 ?
C89 N21 Ag3 166(2) . 4_454 ?
O2 C1 C2 122.2(12) . . ?
O2 C1 C6 122.6(13) . . ?
C2 C1 C6 115.1(14) . . ?
C1 C2 C3 122.1(13) . . ?
C1 C2 C7 120.5(14) . . ?
C3 C2 C7 117.3(14) . . ?
C2 C3 H3 120.5 . . ?
C4 C3 C2 119.0(14) . . ?
C4 C3 H3 120.5 . . ?
C3 C4 C5 118.4(14) . . ?
C3 C4 C9 119.0(15) . . ?
C5 C4 C9 122.5(14) . . ?
C4 C5 H5 118.2 . . ?
C6 C5 C4 123.6(14) . . ?
C6 C5 H5 118.2 . . ?
C5 C6 C1 121.7(15) . . ?
C5 C6 C8 116.7(13) . . ?
C8 C6 C1 121.6(13) . . ?
N1 C7 C2 130.4(15) . . ?
N1 C7 H7 114.8 . . ?
C2 C7 H7 114.8 . . ?
N2 C8 C6 127.7(13) . . ?
N2 C8 H8 116.1 . . ?
C6 C8 H8 116.1 . . ?
C10 C9 C4 122.0(15) . . ?
C10 C9 C14 119.6(14) . . ?
C14 C9 C4 118.4(17) . . ?
C9 C10 H10 119.2 . . ?
C9 C10 C11 121.5(14) . . ?
C11 C10 H10 119.2 . . ?
C10 C11 H11 121.2 . . ?
C12 C11 C10 117.7(16) . . ?
C12 C11 H11 121.2 . . ?
C11 C12 C15 118.2(19) . . ?
C13 C12 C11 124.3(16) . . ?
C13 C12 C15 117.5(16) . . ?
C12 C13 H13 120.9 . . ?
C12 C13 C14 118.2(17) . . ?
C14 C13 H13 120.9 . . ?
C9 C14 H14 120.7 . . ?
C13 C14 C9 118.6(17) . . ?
C13 C14 H14 120.7 . . ?
N9 C15 C12 177(2) . . ?
O5 C16 C17 122.3(13) . . ?
O5 C16 C21 120.1(14) . . ?
C17 C16 C21 117.4(15) . . ?
C16 C17 C23 126.6(16) . . ?
C18 C17 C16 123.1(14) . . ?
C18 C17 C23 110.0(16) . . ?
C17 C18 H18 120.2 . . ?
C17 C18 C19 119.7(17) . . ?
C19 C18 H18 120.2 . . ?
C18 C19 C24 119.3(16) . . ?
C20 C19 C18 117.1(17) . . ?
C20 C19 C24 123.4(13) . . ?
C19 C20 H20 117.1 . . ?
C19 C20 C21 125.9(15) . . ?
C21 C20 H20 117.1 . . ?
C20 C21 C16 116.7(15) . . ?
C22 C21 C16 124.0(16) . . ?
C22 C21 C20 119.3(15) . . ?
N3 C22 C21 125.8(16) . . ?
N3 C22 H22 117.1 . . ?
C21 C22 H22 117.1 . . ?
N4 C23 C17 119.4(17) . . ?
N4 C23 H23 120.3 . . ?
C17 C23 H23 120.3 . . ?
C24 C25 H25 120.0 . . ?
C24 C25 C26 120.0 . . ?
C26 C25 H25 120.0 . . ?
C25 C24 C19 121.1(10) . . ?
C29 C24 C19 118.9(10) . . ?
C29 C24 C25 120.0 . . ?
C24 C29 H29 120.0 . . ?
C24 C29 C28 120.0 . . ?
C28 C29 H29 120.0 . . ?
C29 C28 H28 120.0 . . ?
C27 C28 C29 120.0 . . ?
C27 C28 H28 120.0 . . ?
C28 C27 C30 114.3(14) . . ?
C26 C27 C28 120.0 . . ?
C26 C27 C30 124.0(12) . . ?
C25 C26 H26 120.0 . . ?
C27 C26 C25 120.0 . . ?
C27 C26 H26 120.0 . . ?
N10 C30 C27 160(4) . . ?
O8 C31 C32 120.7(15) . . ?
O8 C31 C36 121.8(14) . . ?
C36 C31 C32 117.5(18) . . ?
C33 C32 C31 120.0(15) . . ?
C33 C32 C37 115.4(15) . . ?
C37 C32 C31 124.5(18) . . ?
C32 C33 H33 118.1 . . ?
C34 C33 C32 123.8(16) . . ?
C34 C33 H33 118.1 . . ?
C33 C34 C35 115.7(19) . . ?
C33 C34 C39 125.2(16) . . ?
C35 C34 C39 119.1(18) . . ?
C34 C35 H35 117.9 . . ?
C34 C35 C36 124.2(19) . . ?
C36 C35 H35 117.9 . . ?
C31 C36 C35 118.7(17) . . ?
C31 C36 C38 125.0(17) . . ?
C35 C36 C38 116.3(16) . . ?
N5 C37 C32 124.2(16) . . ?
N5 C37 H37 117.9 . . ?
C32 C37 H37 117.9 . . ?
N6 C38 C36 122.6(15) . . ?
N6 C38 H38 118.7 . . ?
C36 C38 H38 118.7 . . ?
C40 C39 C34 118.6(18) . . ?
C44 C39 C34 121.2(17) . . ?
C44 C39 C40 119.9(19) . . ?
C39 C40 H40 120.7 . . ?
C39 C40 C41 118.7(19) . . ?
C41 C40 H40 120.7 . . ?
C40 C41 H41 119.3 . . ?
C42 C41 C40 121(2) . . ?
C42 C41 H41 119.3 . . ?
C41 C42 C43 119(2) . . ?
C41 C42 C45 123(2) . . ?
C45 C42 C43 119(2) . . ?
C42 C43 H43 121.4 . . ?
C44 C43 C42 117(2) . . ?
C44 C43 H43 121.4 . . ?
C39 C44 C43 124(2) . . ?
C39 C44 H44 118.1 . . ?
C43 C44 H44 118.1 . . ?
N11 C45 C42 171(3) . . ?
C50 C51 H51 120.0 . . ?
C50 C51 C46 120.0 . . ?
C46 C51 H51 120.0 . . ?
C51 C50 H50 120.0 . . ?
C49 C50 C51 120.0 . . ?
C49 C50 H50 120.0 . . ?
C50 C49 C52 122.4(14) . . ?
C48 C49 C50 120.0 . . ?
C48 C49 C52 117.3(14) . . ?
C49 C48 H48 120.0 . . ?
C49 C48 C47 120.0 . . ?
C47 C48 H48 120.0 . . ?
C48 C47 H47 120.0 . . ?
C46 C47 C48 120.0 . . ?
C46 C47 H47 120.0 . . ?
C51 C46 B1 117.0(11) . . ?
C47 C46 C51 120.0 . . ?
C47 C46 B1 123.0(11) . . ?
N7 C52 C49 176(3) . . ?
C54 C53 B2 123.4(19) . . ?
C58 C53 C54 113.7(18) . . ?
C58 C53 B2 123(2) . . ?
C53 C54 H54 116.2 . . ?
C53 C54 C55 127.6(19) . . ?
C55 C54 H54 116.2 . . ?
C54 C55 H55 123.2 . . ?
C56 C55 C54 113.5(19) . . ?
C56 C55 H55 123.2 . . ?
C55 C56 C59 117.8(19) . . ?
C57 C56 C55 120.3(18) . . ?
C57 C56 C59 122(2) . . ?
C56 C57 H57 116.7 . . ?
C56 C57 C58 127(2) . . ?
C58 C57 H57 116.7 . . ?
C53 C58 C57 118(2) . . ?
C53 C58 H58 120.9 . . ?
C57 C58 H58 120.9 . . ?
N8 C59 C56 173(3) . . ?
O11 C60 C61 121.8(14) . . ?
O11 C60 C65 119.2(14) . . ?
C61 C60 C65 119.0(16) . . ?
C60 C61 C62 119.7(14) . . ?
C60 C61 C66 124.0(16) . . ?
C62 C61 C66 116.2(15) . . ?
C61 C62 H62 119.4 . . ?
C63 C62 C61 121.2(14) . . ?
C63 C62 H62 119.4 . . ?
C62 C63 C68 117.8(14) . . ?
C64 C63 C62 116.0(15) . . ?
C64 C63 C68 125.8(14) . . ?
C63 C64 H64 118.1 . . ?
C63 C64 C65 123.8(14) . . ?
C65 C64 H64 118.1 . . ?
C60 C65 C67 123.0(15) . . ?
C64 C65 C60 119.8(15) . . ?
C64 C65 C67 117.1(12) . . ?
N14 C66 C61 126.7(16) . . ?
N14 C66 H66 116.7 . . ?
C61 C66 H66 116.7 . . ?
N15 C67 C65 127.4(14) . . ?
N15 C67 H67 116.3 . . ?
C65 C67 H67 116.3 . . ?
C69 C68 C63 122.9(15) . . ?
C69 C68 C73 117.3(17) . . ?
C73 C68 C63 119.7(15) . . ?
C68 C69 H69 117.7 . . ?
C68 C69 C70 124.7(18) . . ?
C70 C69 H69 117.7 . . ?
C69 C70 H70 121.6 . . ?
C71 C70 C69 117(2) . . ?
C71 C70 H70 121.6 . . ?
C70 C71 C74 122(2) . . ?
C72 C71 C70 124(2) . . ?
C72 C71 C74 114(2) . . ?
C71 C72 H72 120.2 . . ?
C71 C72 C73 119.7(19) . . ?
C73 C72 H72 120.2 . . ?
C68 C73 H73 121.4 . . ?
C72 C73 C68 117.1(18) . . ?
C72 C73 H73 121.4 . . ?
N20 C74 C71 178(3) . . ?
O14 C75 C76 119.1(14) . . ?
C80 C75 O14 117.2(14) . . ?
C80 C75 C76 123.5(17) . . ?
C75 C76 C77 117.7(13) . . ?
C75 C76 C81 124.5(16) . . ?
C77 C76 C81 117.5(14) . . ?
C76 C77 H77 118.6 . . ?
C78 C77 C76 122.9(14) . . ?
C78 C77 H77 118.6 . . ?
C77 C78 C79 113.8(15) . . ?
C77 C78 C83 121.7(15) . . ?
C83 C78 C79 124.4(14) . . ?
C78 C79 H79 117.2 . . ?
C80 C79 C78 125.5(14) . . ?
C80 C79 H79 117.2 . . ?
C75 C80 C82 128.1(16) . . ?
C79 C80 C75 115.9(15) . . ?
C79 C80 C82 115.3(14) . . ?
N12 C81 C76 126.3(16) . . ?
N12 C81 H81 116.9 . . ?
C76 C81 H81 116.9 . . ?
N13 C82 C80 125.3(14) . . ?
N13 C82 H82 117.4 . . ?
C80 C82 H82 117.4 . . ?
C78 C83 C88 122.7(14) . . ?
C84 C83 C78 121.1(16) . . ?
C84 C83 C88 116.2(16) . . ?
C83 C84 H84 118.0 . . ?
C83 C84 C85 124.0(18) . . ?
C85 C84 H84 118.0 . . ?
C84 C85 H85 122.4 . . ?
C86 C85 C84 115.2(18) . . ?
C86 C85 H85 122.4 . . ?
C85 C86 C89 112.4(19) . . ?
C87 C86 C85 125(2) . . ?
C87 C86 C89 122.4(18) . . ?
C86 C87 H87 120.6 . . ?
C88 C87 C86 118.8(17) . . ?
C88 C87 H87 120.6 . . ?
C83 C88 H88 119.8 . . ?
C87 C88 C83 120.5(15) . . ?
C87 C88 H88 119.8 . . ?
N21 C89 C86 175(3) . . ?
O17 C90 C91 119.9(15) . . ?
O17 C90 C95 124.5(13) . . ?
C95 C90 C91 115.5(15) . . ?
C92 C91 C90 116.9(16) . . ?
C92 C91 C96 119.9(13) . . ?
C96 C91 C90 122.6(14) . . ?
C91 C92 H92 116.7 . . ?
C93 C92 C91 126.6(15) . . ?
C93 C92 H92 116.7 . . ?
C92 C93 C94 113.1(15) . . ?
C92 C93 C98 122.3(14) . . ?
C94 C93 C98 124.5(15) . . ?
C93 C94 H94 117.8 . . ?
C95 C94 C93 124.4(15) . . ?
C95 C94 H94 117.8 . . ?
C90 C95 C97 122.6(14) . . ?
C94 C95 C90 123.3(14) . . ?
C94 C95 C97 114.0(15) . . ?
N16 C96 C91 127.6(12) . . ?
N16 C96 H96 116.2 . . ?
C91 C96 H96 116.2 . . ?
N17 C97 C95 121.7(14) . . ?
N17 C97 H97 119.1 . . ?
C95 C97 H97 119.1 . . ?
C99 C98 C93 119.4(18) . . ?
C2AA C98 C93 121.5(17) . . ?
C2AA C98 C99 119.0(18) . . ?
C98 C99 H99 118.6 . . ?
C98 C99 C100 123(2) . . ?
C100 C99 H99 118.6 . . ?
C99 C100 H100 120.7 . . ?
C101 C100 C99 119(2) . . ?
C101 C100 H100 120.7 . . ?
C100 C101 C102 121(3) . . ?
C100 C101 C1A 121(2) . . ?
C102 C101 C1A 119(3) . . ?
N22 C102 C101 171(4) . . ?
C101 C1A H1A 120.9 . . ?
C101 C1A C2AA 118(2) . . ?
C2AA C1A H1A 120.9 . . ?
C98 C2AA C1A 120(2) . . ?
C98 C2AA H2AA 119.8 . . ?
C1A C2AA H2AA 119.8 . . ?
C104 C103 C108 120.0 . . ?
C104 C103 B3 120.3(11) . . ?
C108 C103 B3 119.7(11) . . ?
C103 C104 H104 120.0 . . ?
C105 C104 C103 120.0 . . ?
C105 C104 H104 120.0 . . ?
C104 C105 H105 120.0 . . ?
C104 C105 C106 120.0 . . ?
C106 C105 H105 120.0 . . ?
C105 C106 C109 119.3(14) . . ?
C107 C106 C105 120.0 . . ?
C107 C106 C109 119.4(14) . . ?
C106 C107 H107 120.0 . . ?
C108 C107 C106 120.0 . . ?
C108 C107 H107 120.0 . . ?
C103 C108 H108 120.0 . . ?
C107 C108 C103 120.0 . . ?
C107 C108 H108 120.0 . . ?
N18 C109 C106 174(3) . . ?
C111 C110 C115 118.0(15) . . ?
C111 C110 B4 118.9(15) . . ?
C115 C110 B4 122.8(16) . . ?
C110 C111 H111 119.9 . . ?
C112 C111 C110 120.3(18) . . ?
C112 C111 H111 119.9 . . ?
C111 C112 H112 118.3 . . ?
C113 C112 C111 123(2) . . ?
C113 C112 H112 118.3 . . ?
C112 C113 C114 118.6(16) . . ?
C112 C113 C116 120.9(19) . . ?
C114 C113 C116 120.3(17) . . ?
C113 C114 H114 119.0 . . ?
C115 C114 C113 122.1(17) . . ?
C115 C114 H114 119.0 . . ?
C110 C115 H115 121.4 . . ?
C114 C115 C110 117.2(18) . . ?
C114 C115 H115 121.4 . . ?
N19 C116 C113 177(2) . . ?
O1 B1 C46 102.9(13) . . ?
O4 B1 O1 109.2(16) . . ?
O4 B1 C46 103.6(12) . . ?
O7 B1 O1 115.4(15) . . ?
O7 B1 O4 114.7(16) . . ?
O7 B1 C46 109.7(15) . . ?
O3 B2 O6 107.9(16) . . ?
O3 B2 C53 107.6(13) . . ?
O6 B2 C53 104.1(15) . . ?
O9 B2 O3 115.0(16) . . ?
O9 B2 O6 114.5(12) . . ?
O9 B2 C53 107.1(16) . . ?
O10 B3 O13 110.2(14) . . ?
O10 B3 C103 106.1(13) . . ?
O13 B3 C103 104.1(14) . . ?
O16 B3 O10 115.6(17) . . ?
O16 B3 O13 112.7(14) . . ?
O16 B3 C103 107.3(12) . . ?
O12 B4 C110 105.4(13) . . ?
O15 B4 O12 110.2(13) . . ?
O15 B4 C110 107.2(13) . . ?
O18 B4 O12 113.1(14) . . ?
O18 B4 O15 111.8(14) . . ?
O18 B4 C110 108.8(13) . . ?
C12S C11S H11S 120.0 . . ?
C12S C11S C10S 120.0 . . ?
C10S C11S H11S 120.0 . . ?
C11S C12S H12S 120.0 . . ?
C11S C12S C7S 120.0 . . ?
C7S C12S H12S 120.0 . . ?
C12S C7S Cl3S 117.4(13) . . ?
C8S C7S Cl3S 121.7(13) . . ?
C8S C7S C12S 120.0 . . ?
C7S C8S Cl4S 122.7(12) . . ?
C7S C8S C9S 120.0 . . ?
C9S C8S Cl4S 117.3(12) . . ?
C8S C9S H9S 120.0 . . ?
C10S C9S C8S 120.0 . . ?
C10S C9S H9S 120.0 . . ?
C11S C10S H10S 120.0 . . ?
C9S C10S C11S 120.0 . . ?
C9S C10S H10S 120.0 . . ?
C2S C3S H3S 120.0 . . ?
C2S C3S C4S 120.0 . . ?
C4S C3S H3S 120.0 . . ?
C3S C2S Cl2S 117.9(15) . . ?
C3S C2S C1S 120.0 . . ?
C1S C2S Cl2S 122.0(14) . . ?
C2S C1S Cl1S 117.6(15) . . ?
C6S C1S Cl1S 122.3(15) . . ?
C6S C1S C2S 120.0 . . ?
C1S C6S H6S 120.0 . . ?
C1S C6S C5S 120.0 . . ?
C5S C6S H6S 120.0 . . ?
C6S C5S H5S 120.0 . . ?
C4S C5S C6S 120.0 . . ?
C4S C5S H5S 120.0 . . ?
C3S C4S H4S 120.0 . . ?
C5S C4S C3S 120.0 . . ?
C5S C4S H4S 120.0 . . ?
O1S C13S H13A 109.5 . . ?
O1S C13S H13B 109.5 . . ?
O1S C13S H13C 109.5 . . ?
H13A C13S H13B 109.5 . . ?
H13A C13S H13C 109.5 . . ?
H13B C13S H13C 109.5 . . ?
O2S C14S H14A 109.5 . . ?
O2S C14S H14B 109.5 . . ?
O2S C14S H14C 109.5 . . ?
H14A C14S H14B 109.5 . . ?
H14A C14S H14C 109.5 . . ?
H14B C14S H14C 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
Co1 O2 C1 C2 1(3) . . . . ?
Co1 O2 C1 C6 -176.0(13) . . . . ?
Co1 O5 C16 C17 172.4(12) . . . . ?
Co1 O5 C16 C21 -2(3) . . . . ?
Co1 O8 C31 C32 -5(2) . . . . ?
Co1 O8 C31 C36 175.2(9) . . . . ?
Co1 N1 C7 C2 -3(3) . . . . ?
Co1 N3 C22 C21 2(3) . . . . ?
Co1 N5 C37 C32 0(3) . . . . ?
Co2 O2 C1 C2 -175.0(12) . . . . ?
Co2 O2 C1 C6 8(3) . . . . ?
Co2 O5 C16 C17 9(3) . . . . ?
Co2 O5 C16 C21 -165.2(12) . . . . ?
Co2 O8 C31 C32 -169.9(9) . . . . ?
Co2 O8 C31 C36 10(2) . . . . ?
Co2 N2 C8 C6 6(3) . . . . ?
Co2 N4 C23 C17 -7(3) . . . . ?
Co2 N6 C38 C36 3(2) . . . . ?
Co3 O11 C60 C61 -9(2) . . . . ?
Co3 O11 C60 C65 170.7(11) . . . . ?
Co3 O14 C75 C76 -5.0(19) . . . . ?
Co3 O14 C75 C80 -179.7(9) . . . . ?
Co3 O17 C90 C91 3(3) . . . . ?
Co3 O17 C90 C95 -174.7(14) . . . . ?
Co3 N12 C81 C76 6(2) . . . . ?
Co3 N14 C66 C61 -6(3) . . . . ?
Co3 N16 C96 C91 0(3) . . . . ?
Co4 O11 C60 C61 -175.6(12) . . . . ?
Co4 O11 C60 C65 4(2) . . . . ?
Co4 O14 C75 C76 178.4(9) . . . . ?
Co4 O14 C75 C80 4(2) . . . . ?
Co4 O17 C90 C91 166.0(13) . . . . ?
Co4 O17 C90 C95 -12(3) . . . . ?
Co4 N13 C82 C80 -2(2) . . . . ?
Co4 N15 C67 C65 -9(3) . . . . ?
Co4 N17 C97 C95 1(3) . . . . ?
O1 N1 C7 C2 178.3(18) . . . . ?
O2 C1 C2 C3 -178.3(17) . . . . ?
O2 C1 C2 C7 -1(3) . . . . ?
O2 C1 C6 C5 178.6(18) . . . . ?
O2 C1 C6 C8 -2(3) . . . . ?
O3 N2 C8 C6 -176.0(17) . . . . ?
O4 N3 C22 C21 177.1(17) . . . . ?
O5 C16 C17 C18 -172.4(18) . . . . ?
O5 C16 C17 C23 1(3) . . . . ?
O5 C16 C21 C20 172.7(17) . . . . ?
O5 C16 C21 C22 -6(3) . . . . ?
O6 N4 C23 C17 179.2(16) . . . . ?
O7 N5 C37 C32 177.1(14) . . . . ?
O8 C31 C32 C33 -179.2(13) . . . . ?
O8 C31 C32 C37 -1(2) . . . . ?
O8 C31 C36 C35 -178.7(13) . . . . ?
O8 C31 C36 C38 0(2) . . . . ?
O9 N6 C38 C36 -176.8(12) . . . . ?
O10 N14 C66 C61 178.4(16) . . . . ?
O11 C60 C61 C62 -178.3(15) . . . . ?
O11 C60 C61 C66 2(3) . . . . ?
O11 C60 C65 C64 -178.1(16) . . . . ?
O11 C60 C65 C67 0(3) . . . . ?
O12 N15 C67 C65 177.9(15) . . . . ?
O13 N12 C81 C76 -178.4(13) . . . . ?
O14 C75 C76 C77 178.8(12) . . . . ?
O14 C75 C76 C81 5(2) . . . . ?
O14 C75 C80 C79 -176.1(13) . . . . ?
O14 C75 C80 C82 -6(2) . . . . ?
O15 N13 C82 C80 179.5(12) . . . . ?
O16 N16 C96 C91 -177.4(19) . . . . ?
O17 C90 C91 C92 178.8(19) . . . . ?
O17 C90 C91 C96 8(3) . . . . ?
O17 C90 C95 C94 178.8(19) . . . . ?
O17 C90 C95 C97 3(3) . . . . ?
O18 N17 C97 C95 -179.9(15) . . . . ?
N1 O1 B1 O4 71.2(18) . . . . ?
N1 O1 B1 O7 -60(2) . . . . ?
N1 O1 B1 C46 -179.2(13) . . . . ?
N2 O3 B2 O6 -64.4(19) . . . . ?
N2 O3 B2 O9 65(2) . . . . ?
N2 O3 B2 C53 -176.1(16) . . . . ?
N3 O4 B1 O1 -62.6(19) . . . . ?
N3 O4 B1 O7 68.7(19) . . . . ?
N3 O4 B1 C46 -171.8(13) . . . . ?
N4 O6 B2 O3 72.9(15) . . . . ?
N4 O6 B2 O9 -56.4(18) . . . . ?
N4 O6 B2 C53 -173.0(13) . . . . ?
N5 O7 B1 O1 67.9(19) . . . . ?
N5 O7 B1 O4 -60.4(17) . . . . ?
N5 O7 B1 C46 -176.4(11) . . . . ?
N6 O9 B2 O3 -58.6(17) . . . . ?
N6 O9 B2 O6 67.1(17) . . . . ?
N6 O9 B2 C53 -178.1(12) . . . . ?
N12 O13 B3 O10 -66.7(17) . . . . ?
N12 O13 B3 O16 64.0(17) . . . . ?
N12 O13 B3 C103 179.9(11) . . . . ?
N13 O15 B4 O12 62.4(14) . . . . ?
N13 O15 B4 O18 -64.3(17) . . . . ?
N13 O15 B4 C110 176.5(11) . . . . ?
N14 O10 B3 O13 63.0(19) . . . . ?
N14 O10 B3 O16 -66.2(19) . . . . ?
N14 O10 B3 C103 175.1(13) . . . . ?
N15 O12 B4 O15 -66.4(14) . . . . ?
N15 O12 B4 O18 59.5(17) . . . . ?
N15 O12 B4 C110 178.3(12) . . . . ?
N16 O16 B3 O10 64.0(18) . . . . ?
N16 O16 B3 O13 -63.9(18) . . . . ?
N16 O16 B3 C103 -177.9(13) . . . . ?
N17 O18 B4 O12 -66.8(18) . . . . ?
N17 O18 B4 O15 58.3(18) . . . . ?
N17 O18 B4 C110 176.4(13) . . . . ?
C1 C2 C3 C4 0(3) . . . . ?
C1 C2 C7 N1 3(3) . . . . ?
C1 C6 C8 N2 -5(3) . . . . ?
C2 C1 C6 C5 2(3) . . . . ?
C2 C1 C6 C8 -179.2(17) . . . . ?
C2 C3 C4 C5 1(3) . . . . ?
C2 C3 C4 C9 178.4(18) . . . . ?
C3 C2 C7 N1 180(2) . . . . ?
C3 C4 C5 C6 -1(3) . . . . ?
C3 C4 C9 C10 34(3) . . . . ?
C3 C4 C9 C14 -144.5(19) . . . . ?
C4 C5 C6 C1 -1(3) . . . . ?
C4 C5 C6 C8 -179.8(18) . . . . ?
C4 C9 C10 C11 177.8(18) . . . . ?
C4 C9 C14 C13 -179.3(18) . . . . ?
C5 C4 C9 C10 -149(2) . . . . ?
C5 C4 C9 C14 33(3) . . . . ?
C5 C6 C8 N2 174.5(19) . . . . ?
C6 C1 C2 C3 -1(3) . . . . ?
C6 C1 C2 C7 175.6(17) . . . . ?
C7 C2 C3 C4 -177.1(18) . . . . ?
C9 C4 C5 C6 -178(2) . . . . ?
C9 C10 C11 C12 4(3) . . . . ?
C10 C9 C14 C13 2(3) . . . . ?
C10 C11 C12 C13 -2(3) . . . . ?
C10 C11 C12 C15 -179.8(19) . . . . ?
C11 C12 C13 C14 0(3) . . . . ?
C12 C13 C14 C9 0(3) . . . . ?
C14 C9 C10 C11 -4(3) . . . . ?
C15 C12 C13 C14 178.4(19) . . . . ?
C16 C17 C18 C19 -2(3) . . . . ?
C16 C17 C23 N4 -2(3) . . . . ?
C16 C21 C22 N3 6(3) . . . . ?
C17 C16 C21 C20 -2(3) . . . . ?
C17 C16 C21 C22 179.9(18) . . . . ?
C17 C18 C19 C20 1(3) . . . . ?
C17 C18 C19 C24 175.6(17) . . . . ?
C18 C17 C23 N4 171.9(18) . . . . ?
C18 C19 C20 C21 -1(3) . . . . ?
C18 C19 C24 C25 33(2) . . . . ?
C18 C19 C24 C29 -146.8(15) . . . . ?
C19 C20 C21 C16 1(3) . . . . ?
C19 C20 C21 C22 180(2) . . . . ?
C19 C24 C29 C28 180.0(16) . . . . ?
C20 C19 C24 C25 -152.6(17) . . . . ?
C20 C19 C24 C29 27(3) . . . . ?
C20 C21 C22 N3 -173(2) . . . . ?
C21 C16 C17 C18 2(3) . . . . ?
C21 C16 C17 C23 175.1(18) . . . . ?
C23 C17 C18 C19 -175.8(18) . . . . ?
C25 C24 C29 C28 0.0 . . . . ?
C24 C19 C20 C21 -175.3(18) . . . . ?
C24 C25 C26 C27 0.0 . . . . ?
C24 C29 C28 C27 0.0 . . . . ?
C29 C28 C27 C26 0.0 . . . . ?
C29 C28 C27 C30 -166(2) . . . . ?
C28 C27 C26 C25 0.0 . . . . ?
C28 C27 C30 N10 -123(7) . . . . ?
C26 C25 C24 C19 180.0(17) . . . . ?
C26 C25 C24 C29 0.0 . . . . ?
C26 C27 C30 N10 72(8) . . . . ?
C30 C27 C26 C25 164(2) . . . . ?
C31 C32 C33 C34 -2(2) . . . . ?
C31 C32 C37 N5 4(3) . . . . ?
C31 C36 C38 N6 -7(2) . . . . ?
C32 C31 C36 C35 1.5(19) . . . . ?
C32 C31 C36 C38 -179.5(13) . . . . ?
C32 C33 C34 C35 2(2) . . . . ?
C32 C33 C34 C39 -178.6(15) . . . . ?
C33 C32 C37 N5 -178.3(15) . . . . ?
C33 C34 C35 C36 1(2) . . . . ?
C33 C34 C39 C40 -31(2) . . . . ?
C33 C34 C39 C44 142.7(17) . . . . ?
C34 C35 C36 C31 -2(2) . . . . ?
C34 C35 C36 C38 178.7(14) . . . . ?
C34 C39 C40 C41 176.4(14) . . . . ?
C34 C39 C44 C43 -175.4(15) . . . . ?
C35 C34 C39 C40 148.8(15) . . . . ?
C35 C34 C39 C44 -38(2) . . . . ?
C35 C36 C38 N6 172.2(14) . . . . ?
C36 C31 C32 C33 1(2) . . . . ?
C36 C31 C32 C37 178.4(14) . . . . ?
C37 C32 C33 C34 179.7(14) . . . . ?
C39 C34 C35 C36 -179.1(14) . . . . ?
C39 C40 C41 C42 -5(3) . . . . ?
C40 C39 C44 C43 -2(3) . . . . ?
C40 C41 C42 C43 6(3) . . . . ?
C40 C41 C42 C45 -175.0(19) . . . . ?
C41 C42 C43 C44 -5(3) . . . . ?
C42 C43 C44 C39 3(3) . . . . ?
C44 C39 C40 C41 3(2) . . . . ?
C45 C42 C43 C44 176.1(19) . . . . ?
C51 C50 C49 C48 0.0 . . . . ?
C51 C50 C49 C52 -173.8(18) . . . . ?
C51 C46 B1 O1 133.2(12) . . . . ?
C51 C46 B1 O4 -113.0(14) . . . . ?
C51 C46 B1 O7 9.9(17) . . . . ?
C50 C51 C46 C47 0.0 . . . . ?
C50 C51 C46 B1 179.4(12) . . . . ?
C50 C49 C48 C47 0.0 . . . . ?
C49 C48 C47 C46 0.0 . . . . ?
C48 C47 C46 C51 0.0 . . . . ?
C48 C47 C46 B1 -179.3(13) . . . . ?
C47 C46 B1 O1 -47.4(17) . . . . ?
C47 C46 B1 O4 66.3(15) . . . . ?
C47 C46 B1 O7 -170.8(11) . . . . ?
C46 C51 C50 C49 0.0 . . . . ?
C52 C49 C48 C47 174.2(17) . . . . ?
C53 C54 C55 C56 -3(3) . . . . ?
C54 C53 C58 C57 -3(3) . . . . ?
C54 C53 B2 O3 87(2) . . . . ?
C54 C53 B2 O6 -27(2) . . . . ?
C54 C53 B2 O9 -148.9(19) . . . . ?
C54 C55 C56 C57 2(3) . . . . ?
C54 C55 C56 C59 177.2(18) . . . . ?
C55 C56 C57 C58 -2(4) . . . . ?
C56 C57 C58 C53 2(3) . . . . ?
C58 C53 C54 C55 3(3) . . . . ?
C58 C53 B2 O3 -94(2) . . . . ?
C58 C53 B2 O6 151(2) . . . . ?
C58 C53 B2 O9 30(3) . . . . ?
C59 C56 C57 C58 -177(2) . . . . ?
C60 C61 C62 C63 -1(3) . . . . ?
C60 C61 C66 N14 5(3) . . . . ?
C60 C65 C67 N15 2(3) . . . . ?
C61 C60 C65 C64 2(3) . . . . ?
C61 C60 C65 C67 179.9(16) . . . . ?
C61 C62 C63 C64 -4(2) . . . . ?
C61 C62 C63 C68 -178.1(16) . . . . ?
C62 C61 C66 N14 -174.2(18) . . . . ?
C62 C63 C64 C65 8(3) . . . . ?
C62 C63 C68 C69 -39(2) . . . . ?
C62 C63 C68 C73 139.2(17) . . . . ?
C63 C64 C65 C60 -7(3) . . . . ?
C63 C64 C65 C67 174.7(16) . . . . ?
C63 C68 C69 C70 -174.2(17) . . . . ?
C63 C68 C73 C72 175.6(16) . . . . ?
C64 C63 C68 C69 147.9(19) . . . . ?
C64 C63 C68 C73 -34(3) . . . . ?
C64 C65 C67 N15 -179.2(18) . . . . ?
C65 C60 C61 C62 2(3) . . . . ?
C65 C60 C61 C66 -177.6(16) . . . . ?
C66 C61 C62 C63 178.8(15) . . . . ?
C68 C63 C64 C65 -178.5(17) . . . . ?
C68 C69 C70 C71 -5(3) . . . . ?
C69 C68 C73 C72 -6(3) . . . . ?
C69 C70 C71 C72 1(3) . . . . ?
C69 C70 C71 C74 178(2) . . . . ?
C70 C71 C72 C73 0(4) . . . . ?
C71 C72 C73 C68 3(3) . . . . ?
C73 C68 C69 C70 8(3) . . . . ?
C74 C71 C72 C73 -178(2) . . . . ?
C75 C76 C77 C78 0(2) . . . . ?
C75 C76 C81 N12 -5(2) . . . . ?
C75 C80 C82 N13 5(2) . . . . ?
C76 C75 C80 C79 9(2) . . . . ?
C76 C75 C80 C82 179.8(13) . . . . ?
C76 C77 C78 C79 3(2) . . . . ?
C76 C77 C78 C83 -177.8(13) . . . . ?
C77 C76 C81 N12 -179.6(15) . . . . ?
C77 C78 C79 C80 0(2) . . . . ?
C77 C78 C83 C84 33(2) . . . . ?
C77 C78 C83 C88 -148.1(15) . . . . ?
C78 C79 C80 C75 -6(2) . . . . ?
C78 C79 C80 C82 -177.8(13) . . . . ?
C78 C83 C84 C85 -179.9(16) . . . . ?
C78 C83 C88 C87 -179.4(15) . . . . ?
C79 C78 C83 C84 -147.4(15) . . . . ?
C79 C78 C83 C88 32(2) . . . . ?
C79 C80 C82 N13 175.8(14) . . . . ?
C80 C75 C76 C77 -7(2) . . . . ?
C80 C75 C76 C81 179.1(14) . . . . ?
C81 C76 C77 C78 174.8(14) . . . . ?
C83 C78 C79 C80 -179.2(15) . . . . ?
C83 C84 C85 C86 -2(3) . . . . ?
C84 C83 C88 C87 0(2) . . . . ?
C84 C85 C86 C87 3(3) . . . . ?
C84 C85 C86 C89 -175.6(16) . . . . ?
C85 C86 C87 C88 -2(3) . . . . ?
C86 C87 C88 C83 1(2) . . . . ?
C88 C83 C84 C85 1(2) . . . . ?
C89 C86 C87 C88 176.0(17) . . . . ?
C90 C91 C92 C93 6(4) . . . . ?
C90 C91 C96 N16 -9(3) . . . . ?
C90 C95 C97 N17 3(3) . . . . ?
C91 C90 C95 C94 1(3) . . . . ?
C91 C90 C95 C97 -174.9(18) . . . . ?
C91 C92 C93 C94 -5(3) . . . . ?
C91 C92 C93 C98 178(2) . . . . ?
C92 C91 C96 N16 180(2) . . . . ?
C92 C93 C94 C95 2(3) . . . . ?
C92 C93 C98 C99 -30(3) . . . . ?
C92 C93 C98 C2AA 152(2) . . . . ?
C93 C94 C95 C90 -1(3) . . . . ?
C93 C94 C95 C97 175.6(17) . . . . ?
C93 C98 C99 C100 176(2) . . . . ?
C93 C98 C2AA C1A -175(2) . . . . ?
C94 C93 C98 C99 153(2) . . . . ?
C94 C93 C98 C2AA -25(3) . . . . ?
C94 C95 C97 N17 -173.7(17) . . . . ?
C95 C90 C91 C92 -3(3) . . . . ?
C95 C90 C91 C96 -174.3(19) . . . . ?
C96 C91 C92 C93 177(2) . . . . ?
C98 C93 C94 C95 179(2) . . . . ?
C98 C99 C100 C101 2(4) . . . . ?
C99 C98 C2AA C1A 7(4) . . . . ?
C99 C100 C101 C102 -178(3) . . . . ?
C99 C100 C101 C1A 2(4) . . . . ?
C100 C101 C1A C2AA -1(4) . . . . ?
C101 C1A C2AA C98 -3(4) . . . . ?
C102 C101 C1A C2AA 179(3) . . . . ?
C2AA C98 C99 C100 -6(4) . . . . ?
C103 C104 C105 C106 0.0 . . . . ?
C104 C103 C108 C107 0.0 . . . . ?
C104 C103 B3 O10 34.1(19) . . . . ?
C104 C103 B3 O13 150.4(12) . . . . ?
C104 C103 B3 O16 -89.9(16) . . . . ?
C104 C105 C106 C107 0.0 . . . . ?
C104 C105 C106 C109 -166(2) . . . . ?
C105 C106 C107 C108 0.0 . . . . ?
C106 C107 C108 C103 0.0 . . . . ?
C108 C103 C104 C105 0.0 . . . . ?
C108 C103 B3 O10 -146.5(13) . . . . ?
C108 C103 B3 O13 -30.3(17) . . . . ?
C108 C103 B3 O16 89.4(16) . . . . ?
C109 C106 C107 C108 166(2) . . . . ?
C110 C111 C112 C113 -4(3) . . . . ?
C111 C110 C115 C114 5(2) . . . . ?
C111 C110 B4 O12 -75.2(19) . . . . ?
C111 C110 B4 O15 167.5(15) . . . . ?
C111 C110 B4 O18 46(2) . . . . ?
C111 C112 C113 C114 7(3) . . . . ?
C111 C112 C113 C116 -178.3(18) . . . . ?
C112 C113 C114 C115 -4(3) . . . . ?
C113 C114 C115 C110 -2(3) . . . . ?
C115 C110 C111 C112 -2(3) . . . . ?
C115 C110 B4 O12 111.1(18) . . . . ?
C115 C110 B4 O15 -6(2) . . . . ?
C115 C110 B4 O18 -127.3(17) . . . . ?
C116 C113 C114 C115 -178.5(16) . . . . ?
B1 O1 N1 Co1 -9.2(19) . . . . ?
B1 O1 N1 C7 169.4(16) . . . . ?
B1 O4 N3 Co1 -4.8(19) . . . . ?
B1 O4 N3 C22 179.3(17) . . . . ?
B1 O7 N5 Co1 -6.7(16) . . . . ?
B1 O7 N5 C37 175.6(14) . . . . ?
B2 O3 N2 Co2 -2(2) . . . . ?
B2 O3 N2 C8 179.6(17) . . . . ?
B2 O6 N4 Co2 -10.4(16) . . . . ?
B2 O6 N4 C23 164.8(15) . . . . ?
B2 O9 N6 Co2 -8.0(16) . . . . ?
B2 O9 N6 C38 171.8(13) . . . . ?
B2 C53 C54 C55 -177.7(18) . . . . ?
B2 C53 C58 C57 178.5(17) . . . . ?
B3 O10 N14 Co3 3(2) . . . . ?
B3 O10 N14 C66 179.1(16) . . . . ?
B3 O13 N12 Co3 2.1(16) . . . . ?
B3 O13 N12 C81 -174.2(14) . . . . ?
B3 O16 N16 Co3 -0.1(19) . . . . ?
B3 O16 N16 C96 177.3(17) . . . . ?
B3 C103 C104 C105 179.3(14) . . . . ?
B3 C103 C108 C107 -179.3(14) . . . . ?
B4 O12 N15 Co4 4.7(16) . . . . ?
B4 O12 N15 C67 178.9(15) . . . . ?
B4 O15 N13 Co4 3.2(15) . . . . ?
B4 O15 N13 C82 -178.3(13) . . . . ?
B4 O18 N17 Co4 6.3(18) . . . . ?
B4 O18 N17 C97 -173.3(15) . . . . ?
B4 C110 C111 C112 -175.7(17) . . . . ?
B4 C110 C115 C114 178.3(16) . . . . ?
Cl3S C7S C8S Cl4S -10.3(16) . . . . ?
Cl3S C7S C8S C9S 169.1(15) . . . . ?
Cl4S C8S C9S C10S 179.4(14) . . . . ?
C11S C12S C7S Cl3S -169.5(15) . . . . ?
C11S C12S C7S C8S 0.0 . . . . ?
C12S C11S C10S C9S 0.0 . . . . ?
C12S C7S C8S Cl4S -179.4(15) . . . . ?
C12S C7S C8S C9S 0.0 . . . . ?
C7S C8S C9S C10S 0.0 . . . . ?
C8S C9S C10S C11S 0.0 . . . . ?
C10S C11S C12S C7S 0.0 . . . . ?
Cl1S C1S C6S C5S 177.2(16) . . . . ?
Cl2S C2S C1S Cl1S -1.7(17) . . . . ?
Cl2S C2S C1S C6S 175.6(16) . . . . ?
C3S C2S C1S Cl1S -177.3(15) . . . . ?
C3S C2S C1S C6S 0.0 . . . . ?
C2S C3S C4S C5S 0.0 . . . . ?
C2S C1S C6S C5S 0.0 . . . . ?
C1S C6S C5S C4S 0.0 . . . . ?
C6S C5S C4S C3S 0.0 . . . . ?
C4S C3S C2S Cl2S -175.8(16) . . . . ?
C4S C3S C2S C1S 0.0 . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.69(3)
2 0.31(3)
