# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2015

####################################################################### 
# 
# 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. 
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data_H-1a
_database_code_depnum_ccdc_archive 'CCDC 1048757'
_audit_update_record             
;
2015-09-24 deposited with the CCDC.
2015-11-12 downloaded from the CCDC.
;
_vrf_PLAT041_H-1a                
;
PROBLEM: Calc. and Reported SumFormula    Strings  Differ     Please Check
RESPONSE: 4 Hydrogen atoms are missing in the calculated 
 sum because they were not included in the structure model. 
 They belong to a CH3OH/(H2O)2 disorder with a quarter
 occupation and could not be refined.
;

_vrf_PLAT043_H-1a                
;
PROBLEM: Calculated and Reported Mol. Weight Differ by ..       4.03 Check 
RESPONSE: 4 Hydrogen atoms are missing in the calculated 
 sum because they were not included in the structure model. 
 They belong to a CH3OH/(H2O)2 disorder with a quarter
 occupation and could not be refined.
;

_vrf_CELLZ01_H-1a                
;
PROBLEM: Difference between formula and atom_site contents detected.
RESPONSE: 4 Hydrogen atoms are missing in the calculated 
 sum because they were not included in the structure model. 
 They belong to a CH3OH/(H2O)2 disorder with a quarter
 occupation and could not be refined.
;

_vrf_FORMU01_H-1a                
;
PROBLEM: There is a discrepancy between the atom counts
RESPONSE: 4 Hydrogen atoms are missing in the calculated 
 sum because they were not included in the structure model. 
 They belong to a CH3OH/(H2O)2 disorder with a quarter
 occupation and could not be refined.
;

_vrf_PLAT068_H-1a                
;
PROBLEM: Reported F000 Differs from Calcd (or Missing)...     Please Check 
RESPONSE: 4 Hydrogen atoms are missing in the calculated 
 sum because they were not included in the structure model. 
 They belong to a CH3OH/(H2O)2 disorder with a quarter
 occupation and could not be refined.
;

_vrf_PLAT430_H-1a                
;
PROBLEM: Short Inter D...A Contact  O7     ..  O14     ..       2.76 Ang.
RESPONSE: O14 is an oxygen atom most probably representing a water molecule that
 could build hydrogen bonds towards acceptors explaining short O...O distances.
 The hydrogen atoms however have been omitted in the structure model due to
 disorder. O10 belongs to the disordered perchlorate.
;

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C40.58 H68 Ag Cl5 Cu6 N8 O37.42'
_chemical_formula_sum            'C40.58 H68 Ag Cl5 Cu6 N8 O37.42'
_chemical_formula_weight         1933.07

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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 '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'

_space_group_crystal_system      tetragonal
_space_group_IT_number           79
_space_group_name_H-M_alt        'I 4'
_space_group_name_Hall           'I 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.
;

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

_cell_length_a                   13.512(3)
_cell_length_b                   13.512(3)
_cell_length_c                   18.097(6)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     3304.2(18)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    4112
_cell_measurement_theta_min      2.25
_cell_measurement_theta_max      25.86

_exptl_crystal_description       block
_exptl_crystal_colour            blue
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.943
_exptl_crystal_F_000             1946
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.240
_exptl_crystal_size_mid          0.230
_exptl_crystal_size_min          0.090
_exptl_absorpt_coefficient_mu    2.488
_shelx_estimated_absorpt_T_min   0.587
_shelx_estimated_absorpt_T_max   0.807
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  .5330
_exptl_absorpt_correction_T_max  .7454
_exptl_absorpt_process_details   SADABS


_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   microsource
_diffrn_measurement_device_type  'Bruker D8 goniometer with APEX CCD detector'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            18924
_diffrn_reflns_av_unetI/netI     0.0630
_diffrn_reflns_av_R_equivalents  0.0832
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         2.251
_diffrn_reflns_theta_max         26.782
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             3532
_reflns_number_gt                2912
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.931
_reflns_Friedel_fraction_max     0.993
_reflns_Friedel_fraction_full    0.999

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
;
 ?
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
;
 w=1/[σ²(Fo²)+(0.0800P)²+10.0000P]
 where P=(Fo²+2Fc²)/3
;
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Flack x determined using 1224 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons and Flack (2004), Acta Cryst. A60, s61).
;
_refine_ls_abs_structure_Flack   0.04(2)
_chemical_absolute_configuration rmad
_refine_ls_number_reflns         3532
_refine_ls_number_parameters     241
_refine_ls_number_restraints     159
_refine_ls_R_factor_all          0.0672
_refine_ls_R_factor_gt           0.0544
_refine_ls_wR_factor_ref         0.1496
_refine_ls_wR_factor_gt          0.1408
_refine_ls_goodness_of_fit_ref   1.040
_refine_ls_restrained_S_all      1.045
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.5000 0.5000 0.5009(4) 0.0218(3) Uani 1 4 d S T P . .
Cu1 Cu 0.5000 0.5000 0.6918(4) 0.0362(7) Uani 1 4 d S T P . .
Cu2 Cu 0.74068(8) 0.60819(8) 0.5028(4) 0.0331(3) Uani 1 1 d . . . . .
Cu3 Cu 0.5000 0.5000 0.3072(4) 0.0369(8) Uani 1 4 d S T P . .
N1 N 0.8421(7) 0.6112(8) 0.5819(8) 0.045(2) Uani 1 1 d . U . . .
H1 H 0.8996 0.5705 0.5650 0.054 Uiso 1 1 calc R U . . .
O1 O 0.6531(6) 0.5530(5) 0.5769(6) 0.0269(16) Uani 1 1 d . U . . .
O2 O 0.6457(6) 0.5047(7) 0.6933(6) 0.048(2) Uani 1 1 d . U . . .
C1 C 0.6921(9) 0.5377(8) 0.6393(7) 0.035(2) Uani 1 1 d . U . . .
C2 C 0.8000(9) 0.5625(10) 0.6505(8) 0.046(3) Uani 1 1 d . U . . .
H2A H 0.8373 0.4999 0.6602 0.056 Uiso 1 1 calc R U . . .
C3 C 0.8180(14) 0.6330(16) 0.7131(12) 0.082(5) Uani 1 1 d . U . . .
H5A H 0.8336 0.5972 0.7593 0.098 Uiso 1 1 calc R U . . .
H5B H 0.7598 0.6761 0.7215 0.098 Uiso 1 1 calc R U . . .
C4 C 0.9079(13) 0.6937(15) 0.6857(12) 0.082(5) Uani 1 1 d . U . . .
H4A H 0.9134 0.7578 0.7119 0.099 Uiso 1 1 calc R U . . .
H4B H 0.9706 0.6564 0.6913 0.099 Uiso 1 1 calc R U . . .
C5 C 0.8805(10) 0.7074(11) 0.6055(10) 0.060(3) Uani 1 1 d . U . . .
H3A H 0.8293 0.7594 0.6000 0.072 Uiso 1 1 calc R U . . .
H3B H 0.9392 0.7263 0.5759 0.072 Uiso 1 1 calc R U . . .
N2 N 0.8145(8) 0.6775(9) 0.4215(7) 0.050(3) Uani 1 1 d . U . . .
H2 H 0.8307 0.7462 0.4382 0.060 Uiso 1 1 calc R U . . .
O3 O 0.6415(6) 0.5804(6) 0.4292(6) 0.0355(19) Uani 1 1 d . U . . .
O4 O 0.6027(6) 0.6015(6) 0.3089(6) 0.0432(19) Uani 1 1 d . U . . .
C6 C 0.6595(9) 0.6163(8) 0.3647(7) 0.037(2) Uani 1 1 d . U . . .
C7 C 0.7475(9) 0.6837(10) 0.3542(8) 0.047(3) Uani 1 1 d . U . . .
H6 H 0.7246 0.7534 0.3471 0.057 Uiso 1 1 calc R U . . .
C8 C 0.8138(12) 0.6525(15) 0.2891(11) 0.066(4) Uani 1 1 d . U . . .
H8A H 0.7740 0.6230 0.2488 0.079 Uiso 1 1 calc R U . . .
H8B H 0.8512 0.7097 0.2693 0.079 Uiso 1 1 calc R U . . .
C9 C 0.8815(17) 0.5782(17) 0.3223(12) 0.095(6) Uani 1 1 d . U . . .
H9A H 0.9408 0.5677 0.2911 0.114 Uiso 1 1 calc R U . . .
H9B H 0.8477 0.5140 0.3300 0.114 Uiso 1 1 calc R U . . .
C10 C 0.9090(10) 0.6274(16) 0.3969(11) 0.078(5) Uani 1 1 d . U . . .
H10A H 0.9303 0.5772 0.4334 0.094 Uiso 1 1 calc R U . . .
H10B H 0.9628 0.6763 0.3903 0.094 Uiso 1 1 calc R U . . .
Cl1 Cl 0.6397(2) 0.8514(2) 0.5188(5) 0.0621(14) Uani 1 1 d . U . . .
O5 O 0.6545(8) 0.7689(7) 0.5650(9) 0.083(4) Uani 1 1 d . U . . .
O6 O 0.5804(11) 0.8200(9) 0.4583(9) 0.087(3) Uani 1 1 d . U . . .
O7 O 0.7347(8) 0.8845(7) 0.4884(12) 0.106(5) Uani 1 1 d . U . . .
O8 O 0.5891(7) 0.9314(7) 0.5527(8) 0.069(3) Uani 1 1 d . U . . .
Cl2 Cl 0.5305(6) 0.3968(6) 0.8776(6) 0.0234(17) Uani 0.25 1 d D . P . .
O9 O 0.502(4) 0.4669(16) 0.8251(12) 0.049(5) Uiso 0.25 1 d D U P . .
O10 O 0.575(2) 0.3113(17) 0.8446(16) 0.049(5) Uiso 0.25 1 d D U P . .
O11 O 0.604(2) 0.440(2) 0.9264(16) 0.049(5) Uiso 0.25 1 d D U P . .
O12 O 0.4485(19) 0.365(2) 0.9210(17) 0.049(5) Uiso 0.25 1 d D U P . .
O13 O 0.518(4) 0.530(2) 0.1872(9) 0.030(6) Uiso 0.25 1 d D U P A -1
C11 C 0.492(10) 0.472(4) 0.1262(15) 0.030(6) Uiso 0.146(13) 1 d D U P A 1
O14 O 0.546(5) 0.409(5) 0.049(4) 0.030(6) Uiso 0.104(13) 1 d . U 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 O3 2.553(9) 3_665 ?
Ag1 O3 2.553(9) 4_565 ?
Ag1 O3 2.553(9) . ?
Ag1 O3 2.553(9) 2_655 ?
Ag1 O1 2.586(7) . ?
Ag1 O1 2.586(7) 2_655 ?
Ag1 O1 2.586(7) 3_665 ?
Ag1 O1 2.586(7) 4_565 ?
Cu1 O2 1.970(9) . ?
Cu1 O2 1.970(9) 3_665 ?
Cu1 O2 1.970(9) 4_565 ?
Cu1 O2 1.970(9) 2_655 ?
Cu2 O3 1.926(9) . ?
Cu2 O1 1.937(8) . ?
Cu2 N1 1.983(10) . ?
Cu2 N2 2.009(10) . ?
Cu3 O4 1.951(9) . ?
Cu3 O4 1.951(9) 3_665 ?
Cu3 O4 1.951(9) 4_565 ?
Cu3 O4 1.951(9) 2_655 ?
Cu3 O13 2.22(2) . ?
N1 C5 1.463(16) . ?
N1 C2 1.515(18) . ?
N1 H1 1.0000 . ?
O1 C1 1.264(12) . ?
O2 C1 1.243(14) . ?
C1 C2 1.510(16) . ?
C2 C3 1.500(19) . ?
C2 H2A 1.0000 . ?
C3 C4 1.55(3) . ?
C3 H5A 0.9900 . ?
C3 H5B 0.9900 . ?
C4 C5 1.51(3) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C5 H3A 0.9900 . ?
C5 H3B 0.9900 . ?
N2 C10 1.511(19) . ?
N2 C7 1.520(17) . ?
N2 H2 1.0000 . ?
O3 C6 1.289(13) . ?
O4 C6 1.283(14) . ?
C6 C7 1.510(17) . ?
C7 C8 1.539(19) . ?
C7 H6 1.0000 . ?
C8 C9 1.49(3) . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C9 C10 1.55(3) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
Cl1 O5 1.407(12) . ?
Cl1 O8 1.418(10) . ?
Cl1 O6 1.421(16) . ?
Cl1 O7 1.468(11) . ?
Cl2 O9 1.40(2) . ?
Cl2 O12 1.42(2) . ?
Cl2 O10 1.43(2) . ?
Cl2 O11 1.45(2) . ?
Cl2 O11 1.51(3) 4_565 ?
O13 C11 1.3998(15) . ?

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
O3 Ag1 O3 75.05(17) 3_665 4_565 ?
O3 Ag1 O3 118.9(4) 3_665 . ?
O3 Ag1 O3 75.05(17) 4_565 . ?
O3 Ag1 O3 75.05(17) 3_665 2_655 ?
O3 Ag1 O3 118.9(4) 4_565 2_655 ?
O3 Ag1 O3 75.05(17) . 2_655 ?
O3 Ag1 O1 170.9(2) 3_665 . ?
O3 Ag1 O1 97.9(2) 4_565 . ?
O3 Ag1 O1 63.4(2) . . ?
O3 Ag1 O1 113.8(2) 2_655 . ?
O3 Ag1 O1 113.8(2) 3_665 2_655 ?
O3 Ag1 O1 170.9(2) 4_565 2_655 ?
O3 Ag1 O1 97.9(2) . 2_655 ?
O3 Ag1 O1 63.4(2) 2_655 2_655 ?
O1 Ag1 O1 73.57(16) . 2_655 ?
O3 Ag1 O1 63.4(2) 3_665 3_665 ?
O3 Ag1 O1 113.8(2) 4_565 3_665 ?
O3 Ag1 O1 170.9(2) . 3_665 ?
O3 Ag1 O1 97.9(2) 2_655 3_665 ?
O1 Ag1 O1 115.7(3) . 3_665 ?
O1 Ag1 O1 73.57(16) 2_655 3_665 ?
O3 Ag1 O1 97.9(2) 3_665 4_565 ?
O3 Ag1 O1 63.4(2) 4_565 4_565 ?
O3 Ag1 O1 113.8(2) . 4_565 ?
O3 Ag1 O1 170.9(2) 2_655 4_565 ?
O1 Ag1 O1 73.57(16) . 4_565 ?
O1 Ag1 O1 115.7(3) 2_655 4_565 ?
O1 Ag1 O1 73.57(16) 3_665 4_565 ?
O2 Cu1 O2 178.4(5) . 3_665 ?
O2 Cu1 O2 89.988(8) . 4_565 ?
O2 Cu1 O2 89.988(9) 3_665 4_565 ?
O2 Cu1 O2 89.988(9) . 2_655 ?
O2 Cu1 O2 89.988(8) 3_665 2_655 ?
O2 Cu1 O2 178.4(5) 4_565 2_655 ?
O3 Cu2 O1 88.8(3) . . ?
O3 Cu2 N1 169.8(4) . . ?
O1 Cu2 N1 86.0(4) . . ?
O3 Cu2 N2 86.0(4) . . ?
O1 Cu2 N2 171.7(4) . . ?
N1 Cu2 N2 100.1(4) . . ?
O4 Cu3 O4 178.2(5) . 3_665 ?
O4 Cu3 O4 89.985(8) . 4_565 ?
O4 Cu3 O4 89.985(8) 3_665 4_565 ?
O4 Cu3 O4 89.985(8) . 2_655 ?
O4 Cu3 O4 89.985(9) 3_665 2_655 ?
O4 Cu3 O4 178.2(5) 4_565 2_655 ?
O4 Cu3 O13 79.0(7) . . ?
O4 Cu3 O13 102.8(7) 3_665 . ?
O4 Cu3 O13 94.0(15) 4_565 . ?
O4 Cu3 O13 87.8(15) 2_655 . ?
C5 N1 C2 106.3(11) . . ?
C5 N1 Cu2 118.3(9) . . ?
C2 N1 Cu2 108.8(7) . . ?
C5 N1 H1 107.7 . . ?
C2 N1 H1 107.7 . . ?
Cu2 N1 H1 107.7 . . ?
C1 O1 Cu2 115.3(8) . . ?
C1 O1 Ag1 139.8(7) . . ?
Cu2 O1 Ag1 103.1(3) . . ?
C1 O2 Cu1 120.3(7) . . ?
O2 C1 O1 123.5(11) . . ?
O2 C1 C2 117.5(9) . . ?
O1 C1 C2 119.0(11) . . ?
C3 C2 C1 113.4(12) . . ?
C3 C2 N1 106.3(13) . . ?
C1 C2 N1 110.5(9) . . ?
C3 C2 H2A 108.8 . . ?
C1 C2 H2A 108.8 . . ?
N1 C2 H2A 108.8 . . ?
C2 C3 C4 102.8(15) . . ?
C2 C3 H5A 111.2 . . ?
C4 C3 H5A 111.2 . . ?
C2 C3 H5B 111.2 . . ?
C4 C3 H5B 111.2 . . ?
H5A C3 H5B 109.1 . . ?
C5 C4 C3 100.3(12) . . ?
C5 C4 H4A 111.7 . . ?
C3 C4 H4A 111.7 . . ?
C5 C4 H4B 111.7 . . ?
C3 C4 H4B 111.7 . . ?
H4A C4 H4B 109.5 . . ?
N1 C5 C4 104.9(14) . . ?
N1 C5 H3A 110.8 . . ?
C4 C5 H3A 110.8 . . ?
N1 C5 H3B 110.8 . . ?
C4 C5 H3B 110.8 . . ?
H3A C5 H3B 108.8 . . ?
C10 N2 C7 107.0(11) . . ?
C10 N2 Cu2 115.2(10) . . ?
C7 N2 Cu2 108.4(7) . . ?
C10 N2 H2 108.7 . . ?
C7 N2 H2 108.7 . . ?
Cu2 N2 H2 108.7 . . ?
C6 O3 Cu2 114.9(8) . . ?
C6 O3 Ag1 139.7(8) . . ?
Cu2 O3 Ag1 104.7(3) . . ?
C6 O4 Cu3 123.2(7) . . ?
O4 C6 O3 122.7(11) . . ?
O4 C6 C7 117.9(10) . . ?
O3 C6 C7 119.3(11) . . ?
C6 C7 N2 109.6(9) . . ?
C6 C7 C8 112.9(12) . . ?
N2 C7 C8 104.6(11) . . ?
C6 C7 H6 109.9 . . ?
N2 C7 H6 109.9 . . ?
C8 C7 H6 109.9 . . ?
C9 C8 C7 103.5(15) . . ?
C9 C8 H8A 111.1 . . ?
C7 C8 H8A 111.1 . . ?
C9 C8 H8B 111.1 . . ?
C7 C8 H8B 111.1 . . ?
H8A C8 H8B 109.0 . . ?
C8 C9 C10 102.1(16) . . ?
C8 C9 H9A 111.3 . . ?
C10 C9 H9A 111.3 . . ?
C8 C9 H9B 111.3 . . ?
C10 C9 H9B 111.3 . . ?
H9A C9 H9B 109.2 . . ?
N2 C10 C9 104.3(13) . . ?
N2 C10 H10A 110.9 . . ?
C9 C10 H10A 110.9 . . ?
N2 C10 H10B 110.9 . . ?
C9 C10 H10B 110.9 . . ?
H10A C10 H10B 108.9 . . ?
O5 Cl1 O8 114.6(8) . . ?
O5 Cl1 O6 107.5(8) . . ?
O8 Cl1 O6 106.8(7) . . ?
O5 Cl1 O7 109.9(8) . . ?
O8 Cl1 O7 110.6(6) . . ?
O6 Cl1 O7 107.1(11) . . ?
O9 Cl2 O12 111.5(18) . . ?
O9 Cl2 O10 112.3(13) . . ?
O12 Cl2 O10 108.4(14) . . ?
O9 Cl2 O11 109.2(14) . . ?
O12 Cl2 O11 108.4(12) . . ?
O10 Cl2 O11 106.9(15) . . ?

_refine_diff_density_max         0.930
_refine_diff_density_min         -0.888
_refine_diff_density_rms         0.127

_shelxl_version_number           2013-2

####################################################################### 
# 
# 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_H-1b
_database_code_depnum_ccdc_archive 'CCDC 1048758'
_audit_update_record             
;
2015-09-24 deposited with the CCDC.
2015-11-12 downloaded from the CCDC.
;

_vrf_PLAT019_H-1b                
;
PROBLEM: _diffrn_measured_fraction_theta_full/_max < 1.0      0.998 Report
RESPONSE: 3 reflections were affected by the beamstop and therefore omitted.
;


_vrf_PLAT041_H-1b                
;
PROBLEM: Calc. and Reported SumFormula    Strings  Differ     Please Check
RESPONSE: 2 Hydrogen atoms are missing in the calculated 
 sum because they were not included in the structure model. 
 They belong to a water molecule which is disordered with
 a perchlorate.
;

_vrf_PLAT043_H-1b                
;
PROBLEM: Calculated and Reported Mol. Weight Differ by ..       2.04 Check 
RESPONSE: 2 Hydrogen atoms are missing in the calculated 
 sum because they were not included in the structure model. 
 They belong to a water molecule which is disordered with
 a perchlorate.
;

_vrf_CELLZ01_H-1b                
;
PROBLEM: Difference between formula and atom_site contents detected.
RESPONSE: 2 Hydrogen atoms are missing in the calculated 
 sum because they were not included in the structure model. 
 They belong to a water molecule which is disordered with
 a perchlorate.
;

_vrf_FORMU01_H-1b                
;
PROBLEM: There is a discrepancy between the atom counts
RESPONSE: 2 Hydrogen atoms are missing in the calculated 
 sum because they were not included in the structure model. 
 They belong to a water molecule which is disordered with
 a perchlorate.
;

_vrf_PLAT068_H-1b                
;
PROBLEM: Reported F000 Differs from Calcd (or Missing)...     Please Check 
RESPONSE: 2 Hydrogen atoms are missing in the calculated 
 sum because they were not included in the structure model. 
 They belong to a water molecule which is disordered with
 a perchlorate.
;

_vrf_PLAT430_H-1b                
;
PROBLEM:   Short Inter D...A Contact  O7     ..  O10A    ..       2.65 Ang.  
RESPONSE: O10A is an oxygen atom of a disordered perchlorate and not fully
 occupied. O7 is rather prolate so that the distance is not reliable. 
;


_vrf_PLAT077_H-1b                
;
PROBLEM: Unitcell contains non-integer number of atoms ..     Please Check
RESPONSE: This accounts to the substitutional disorder of Ag/Na.
;

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C40 H66 Ag0.56 Cl5 Cu6 N8 Na0.44 O37'
_chemical_formula_sum            'C40 H66 Ag0.56 Cl5 Cu6 N8 Na0.44 O37'
_chemical_formula_weight         1880.44

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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 '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'
Na Na 0.0362 0.0249 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      tetragonal
_space_group_IT_number           79
_space_group_name_H-M_alt        'I 4'
_space_group_name_Hall           'I 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.
;

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

_cell_length_a                   13.4554(16)
_cell_length_b                   13.4554(16)
_cell_length_c                   17.931(2)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     3246.4(9)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    2405
_cell_measurement_theta_min      2.27
_cell_measurement_theta_max      22.06

_exptl_crystal_description       block
_exptl_crystal_colour            blue
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.924
_exptl_crystal_F_000             1897
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.140
_exptl_crystal_size_mid          0.090
_exptl_crystal_size_min          0.070
_exptl_absorpt_coefficient_mu    2.407
_shelx_estimated_absorpt_T_min   0.729
_shelx_estimated_absorpt_T_max   0.850
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  .6086
_exptl_absorpt_correction_T_max  .7453
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   microsource
_diffrn_measurement_device_type  'Bruker D8 goniometer with APEX CCD detector'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            19001
_diffrn_reflns_av_unetI/netI     0.0442
_diffrn_reflns_av_R_equivalents  0.0675
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         2.272
_diffrn_reflns_theta_max         25.751
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             3116
_reflns_number_gt                2651
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.934
_reflns_Friedel_fraction_max     0.998
_reflns_Friedel_fraction_full    0.999

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
;
 ?
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
;
 w=1/[σ²(Fo²)+(0.0650P)²+4.0000P]
 where P=(Fo²+2Fc²)/3
;
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Flack x determined using 1104 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons and Flack (2004), Acta Cryst. A60, s61).
;
_refine_ls_abs_structure_Flack   -0.019(14)
_chemical_absolute_configuration rmad
_refine_ls_number_reflns         3116
_refine_ls_number_parameters     241
_refine_ls_number_restraints     149
_refine_ls_R_factor_all          0.0538
_refine_ls_R_factor_gt           0.0424
_refine_ls_wR_factor_ref         0.1153
_refine_ls_wR_factor_gt          0.1087
_refine_ls_goodness_of_fit_ref   1.040
_refine_ls_restrained_S_all      1.034
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.5000 0.5000 0.49857(14) 0.0196(6) Uani 0.564(6) 4 d S T P A 1
Na1 Na 0.5000 0.5000 0.49857(14) 0.0196(6) Uani 0.436(6) 4 d S T P A 2
Cu1 Cu 0.5000 0.5000 0.69181(12) 0.0298(5) Uani 1 4 d S T P . .
Cu2 Cu 0.74013(6) 0.60575(6) 0.49761(9) 0.0260(3) Uani 1 1 d . . . . .
Cu3 Cu 0.5000 0.5000 0.30300(12) 0.0272(5) Uani 1 4 d S T P . .
N1 N 0.8421(5) 0.6096(5) 0.5768(4) 0.0290(15) Uani 1 1 d . U . . .
H1 H 0.9004 0.5698 0.5593 0.035 Uiso 1 1 calc R U . . .
O1 O 0.6536(4) 0.5510(4) 0.5729(4) 0.0248(13) Uani 1 1 d . U . . .
O2 O 0.6450(4) 0.5059(5) 0.6914(3) 0.0355(14) Uani 1 1 d . U . . .
C1 C 0.6918(6) 0.5361(6) 0.6363(5) 0.0272(17) Uani 1 1 d . U . . .
C2 C 0.8006(6) 0.5589(7) 0.6460(5) 0.0308(18) Uani 1 1 d . U . . .
H2A H 0.8376 0.4954 0.6548 0.037 Uiso 1 1 calc R U . . .
C3 C 0.8226(8) 0.6309(9) 0.7099(7) 0.050(3) Uani 1 1 d . U . . .
H5A H 0.8431 0.5945 0.7554 0.060 Uiso 1 1 calc R U . . .
H5B H 0.7636 0.6720 0.7215 0.060 Uiso 1 1 calc R U . . .
C4 C 0.9075(7) 0.6949(8) 0.6802(6) 0.046(2) Uani 1 1 d . U . . .
H4A H 0.9109 0.7595 0.7066 0.055 Uiso 1 1 calc R U . . .
H4B H 0.9722 0.6605 0.6850 0.055 Uiso 1 1 calc R U . . .
C5 C 0.8795(7) 0.7085(7) 0.6000(6) 0.042(2) Uani 1 1 d . U . . .
H3A H 0.8271 0.7598 0.5947 0.050 Uiso 1 1 calc R U . . .
H3B H 0.9378 0.7283 0.5699 0.050 Uiso 1 1 calc R U . . .
N2 N 0.8125(5) 0.6764(6) 0.4171(4) 0.0336(17) Uani 1 1 d . U . . .
H2 H 0.8289 0.7450 0.4347 0.040 Uiso 1 1 calc R U . . .
O3 O 0.6402(5) 0.5789(5) 0.4240(3) 0.0266(14) Uani 1 1 d . U . . .
O4 O 0.6023(4) 0.6030(4) 0.3039(4) 0.0320(13) Uani 1 1 d . U . . .
C6 C 0.6565(6) 0.6166(6) 0.3598(5) 0.0280(17) Uani 1 1 d . U . . .
C7 C 0.7464(6) 0.6839(6) 0.3491(5) 0.0299(18) Uani 1 1 d . U . . .
H6 H 0.7240 0.7542 0.3425 0.036 Uiso 1 1 calc R U . . .
C8 C 0.8112(8) 0.6537(9) 0.2839(6) 0.044(3) Uani 1 1 d . U . . .
H8A H 0.7705 0.6254 0.2431 0.053 Uiso 1 1 calc R U . . .
H8B H 0.8489 0.7113 0.2645 0.053 Uiso 1 1 calc R U . . .
C9 C 0.8795(9) 0.5777(9) 0.3150(6) 0.059(3) Uani 1 1 d . U . . .
H9A H 0.9384 0.5680 0.2828 0.071 Uiso 1 1 calc R U . . .
H9B H 0.8454 0.5131 0.3223 0.071 Uiso 1 1 calc R U . . .
C10 C 0.9078(8) 0.6263(10) 0.3905(7) 0.057(3) Uani 1 1 d . U . . .
H10A H 0.9301 0.5754 0.4267 0.068 Uiso 1 1 calc R U . . .
H10B H 0.9615 0.6757 0.3837 0.068 Uiso 1 1 calc R U . . .
Cl1 Cl 0.63772(15) 0.85041(14) 0.5057(2) 0.0433(7) Uani 1 1 d . U . . .
O5 O 0.6554(5) 0.7706(5) 0.5558(5) 0.058(2) Uani 1 1 d . U . . .
O6 O 0.5722(6) 0.8142(6) 0.4486(5) 0.064(2) Uani 1 1 d . U . . .
O7 O 0.7290(6) 0.8809(5) 0.4706(5) 0.067(3) Uani 1 1 d . U . . .
O8 O 0.5899(5) 0.9313(5) 0.5432(4) 0.0466(17) Uani 1 1 d . U . . .
Cl2A Cl 0.5308(11) 0.4019(10) 0.8783(7) 0.028(3) Uiso 0.142(3) 1 d D U P A 1
O9A O 0.503(5) 0.4743(15) 0.8231(9) 0.034 Uiso 0.25 1 d D U P A 1
O10A O 0.581(3) 0.320(2) 0.843(2) 0.034 Uiso 0.142(3) 1 d D U P A 1
O11A O 0.613(3) 0.436(3) 0.925(2) 0.034 Uiso 0.142(3) 1 d D U P A 1
O12A O 0.453(3) 0.362(3) 0.926(2) 0.034 Uiso 0.142(3) 1 d D U P A 1
Cl2B Cl 0.493(17) 0.516(7) 0.1058(6) 0.028(3) Uiso 0.108(3) 1 d . U P A 2
O9B O 0.512(6) 0.473(3) 0.1767(11) 0.034 Uiso 0.25 1 d . U P A 2
O10B O 0.461(5) 0.607(4) 0.127(4) 0.034 Uiso 0.108(3) 1 d . U P A 2
O11B O 0.409(5) 0.452(5) 0.068(4) 0.034 Uiso 0.108(3) 1 d . U P A 2
O12B O 0.579(5) 0.516(4) 0.055(4) 0.034 Uiso 0.108(3) 1 d . U 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 O3 2.544(6) 3_665 ?
Ag1 O3 2.544(6) 4_565 ?
Ag1 O3 2.544(6) . ?
Ag1 O3 2.544(6) 2_655 ?
Ag1 O1 2.553(6) . ?
Ag1 O1 2.553(6) 2_655 ?
Ag1 O1 2.553(6) 3_665 ?
Ag1 O1 2.553(6) 4_565 ?
Cu1 O2 1.952(6) 3_665 ?
Cu1 O2 1.952(6) . ?
Cu1 O2 1.952(6) 4_565 ?
Cu1 O2 1.952(6) 2_655 ?
Cu1 O9A 2.379(16) 3_665 ?
Cu1 O9A 2.379(16) 2_655 ?
Cu1 O9A 2.379(16) 4_565 ?
Cu1 O9A 2.379(16) . ?
Cu2 O3 1.919(6) . ?
Cu2 O1 1.930(6) . ?
Cu2 N1 1.976(7) . ?
Cu2 N2 1.984(7) . ?
Cu3 O4 1.953(6) . ?
Cu3 O4 1.953(6) 3_665 ?
Cu3 O4 1.953(6) 4_565 ?
Cu3 O4 1.953(6) 2_655 ?
Cu3 O9B 2.300(19) 4_565 ?
Cu3 O9B 2.300(19) . ?
Cu3 O9B 2.300(19) 3_665 ?
Cu3 O9B 2.300(19) 2_655 ?
N1 C5 1.482(11) . ?
N1 C2 1.522(11) . ?
N1 H1 1.0000 . ?
O1 C1 1.263(10) . ?
O2 C1 1.241(10) . ?
C1 C2 1.506(12) . ?
C2 C3 1.529(13) . ?
C2 H2A 1.0000 . ?
C3 C4 1.527(16) . ?
C3 H5A 0.9900 . ?
C3 H5B 0.9900 . ?
C4 C5 1.497(14) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C5 H3A 0.9900 . ?
C5 H3B 0.9900 . ?
N2 C7 1.513(12) . ?
N2 C10 1.524(13) . ?
N2 H2 1.0000 . ?
O3 C6 1.277(10) . ?
O4 C6 1.252(10) . ?
C6 C7 1.523(11) . ?
C7 C8 1.514(14) . ?
C7 H6 1.0000 . ?
C8 C9 1.483(15) . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C9 C10 1.552(17) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
Cl1 O5 1.421(8) . ?
Cl1 O8 1.433(7) . ?
Cl1 O6 1.436(9) . ?
Cl1 O7 1.439(8) . ?
Cl2A O10A 1.434(14) . ?
Cl2A O9A 1.439(13) . ?
Cl2A O12A 1.452(14) . ?
Cl2A O11A 1.462(14) . ?
Cl2B O11B 1.34(7) 4_565 ?
Cl2B O10B 1.37(6) . ?
Cl2B O9B 1.42(2) . ?
Cl2B O12B 1.47(18) . ?


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
O3 Ag1 O3 73.97(14) 3_665 4_565 ?
O3 Ag1 O3 116.6(3) 3_665 . ?
O3 Ag1 O3 73.97(14) 4_565 . ?
O3 Ag1 O3 73.97(14) 3_665 2_655 ?
O3 Ag1 O3 116.6(3) 4_565 2_655 ?
O3 Ag1 O3 73.97(14) . 2_655 ?
O3 Ag1 O1 170.63(17) 3_665 . ?
O3 Ag1 O1 97.82(18) 4_565 . ?
O3 Ag1 O1 64.04(16) . . ?
O3 Ag1 O1 114.39(17) 2_655 . ?
O3 Ag1 O1 114.39(17) 3_665 2_655 ?
O3 Ag1 O1 170.63(18) 4_565 2_655 ?
O3 Ag1 O1 97.82(17) . 2_655 ?
O3 Ag1 O1 64.04(16) 2_655 2_655 ?
O1 Ag1 O1 74.17(14) . 2_655 ?
O3 Ag1 O1 64.04(16) 3_665 3_665 ?
O3 Ag1 O1 114.39(17) 4_565 3_665 ?
O3 Ag1 O1 170.63(17) . 3_665 ?
O3 Ag1 O1 97.82(18) 2_655 3_665 ?
O1 Ag1 O1 117.0(3) . 3_665 ?
O1 Ag1 O1 74.17(14) 2_655 3_665 ?
O3 Ag1 O1 97.82(17) 3_665 4_565 ?
O3 Ag1 O1 64.04(16) 4_565 4_565 ?
O3 Ag1 O1 114.39(17) . 4_565 ?
O3 Ag1 O1 170.63(18) 2_655 4_565 ?
O1 Ag1 O1 74.17(14) . 4_565 ?
O1 Ag1 O1 117.0(3) 2_655 4_565 ?
O1 Ag1 O1 74.17(14) 3_665 4_565 ?
O2 Cu1 O2 179.6(4) 3_665 . ?
O2 Cu1 O2 89.999(3) 3_665 4_565 ?
O2 Cu1 O2 89.999(2) . 4_565 ?
O2 Cu1 O2 89.999(2) 3_665 2_655 ?
O2 Cu1 O2 89.999(3) . 2_655 ?
O2 Cu1 O2 179.6(4) 4_565 2_655 ?
O2 Cu1 O9A 89.5(17) 3_665 3_665 ?
O2 Cu1 O9A 90.8(17) . 3_665 ?
O2 Cu1 O9A 98.6(5) 4_565 3_665 ?
O2 Cu1 O9A 81.8(5) 2_655 3_665 ?
O2 Cu1 O9A 98.6(5) 3_665 2_655 ?
O2 Cu1 O9A 81.8(5) . 2_655 ?
O2 Cu1 O9A 90.8(17) 4_565 2_655 ?
O2 Cu1 O9A 89.5(17) 2_655 2_655 ?
O9A Cu1 O9A 11.9(6) 3_665 2_655 ?
O2 Cu1 O9A 81.8(5) 3_665 4_565 ?
O2 Cu1 O9A 98.6(5) . 4_565 ?
O2 Cu1 O9A 89.5(17) 4_565 4_565 ?
O2 Cu1 O9A 90.8(17) 2_655 4_565 ?
O9A Cu1 O9A 11.9(6) 3_665 4_565 ?
O9A Cu1 O9A 16.8(8) 2_655 4_565 ?
O2 Cu1 O9A 90.8(17) 3_665 . ?
O2 Cu1 O9A 89.5(17) . . ?
O2 Cu1 O9A 81.8(5) 4_565 . ?
O2 Cu1 O9A 98.6(5) 2_655 . ?
O9A Cu1 O9A 16.8(8) 3_665 . ?
O9A Cu1 O9A 11.9(6) 2_655 . ?
O9A Cu1 O9A 11.9(6) 4_565 . ?
O3 Cu2 O1 89.2(2) . . ?
O3 Cu2 N1 170.5(3) . . ?
O1 Cu2 N1 85.8(3) . . ?
O3 Cu2 N2 86.2(3) . . ?
O1 Cu2 N2 171.3(3) . . ?
N1 Cu2 N2 99.7(3) . . ?
O4 Cu3 O4 179.0(4) . 3_665 ?
O4 Cu3 O4 89.996(4) . 4_565 ?
O4 Cu3 O4 89.996(4) 3_665 4_565 ?
O4 Cu3 O4 89.996(4) . 2_655 ?
O4 Cu3 O4 89.996(4) 3_665 2_655 ?
O4 Cu3 O4 179.0(4) 4_565 2_655 ?
O4 Cu3 O9B 99.8(9) . 4_565 ?
O4 Cu3 O9B 81.2(9) 3_665 4_565 ?
O4 Cu3 O9B 94(2) 4_565 4_565 ?
O4 Cu3 O9B 87(2) 2_655 4_565 ?
O4 Cu3 O9B 94(2) . . ?
O4 Cu3 O9B 87(2) 3_665 . ?
O4 Cu3 O9B 81.2(9) 4_565 . ?
O4 Cu3 O9B 99.8(9) 2_655 . ?
O9B Cu3 O9B 14.1(6) 4_565 . ?
O4 Cu3 O9B 87(2) . 3_665 ?
O4 Cu3 O9B 94(2) 3_665 3_665 ?
O4 Cu3 O9B 99.8(9) 4_565 3_665 ?
O4 Cu3 O9B 81.2(9) 2_655 3_665 ?
O9B Cu3 O9B 14.1(6) 4_565 3_665 ?
O9B Cu3 O9B 20.0(9) . 3_665 ?
O4 Cu3 O9B 81.2(9) . 2_655 ?
O4 Cu3 O9B 99.8(9) 3_665 2_655 ?
O4 Cu3 O9B 87(2) 4_565 2_655 ?
O4 Cu3 O9B 94(2) 2_655 2_655 ?
O9B Cu3 O9B 20.0(9) 4_565 2_655 ?
O9B Cu3 O9B 14.1(6) . 2_655 ?
O9B Cu3 O9B 14.1(6) 3_665 2_655 ?
C5 N1 C2 107.4(7) . . ?
C5 N1 Cu2 117.4(6) . . ?
C2 N1 Cu2 108.6(5) . . ?
C5 N1 H1 107.7 . . ?
C2 N1 H1 107.7 . . ?
Cu2 N1 H1 107.7 . . ?
C1 O1 Cu2 116.4(6) . . ?
C1 O1 Ag1 139.2(6) . . ?
Cu2 O1 Ag1 103.0(3) . . ?
C1 O2 Cu1 121.5(5) . . ?
O2 C1 O1 124.2(8) . . ?
O2 C1 C2 117.9(7) . . ?
O1 C1 C2 117.9(8) . . ?
C1 C2 N1 110.7(6) . . ?
C1 C2 C3 113.8(8) . . ?
N1 C2 C3 104.8(8) . . ?
C1 C2 H2A 109.1 . . ?
N1 C2 H2A 109.1 . . ?
C3 C2 H2A 109.1 . . ?
C2 C3 C4 104.0(9) . . ?
C2 C3 H5A 111.0 . . ?
C4 C3 H5A 111.0 . . ?
C2 C3 H5B 111.0 . . ?
C4 C3 H5B 111.0 . . ?
H5A C3 H5B 109.0 . . ?
C5 C4 C3 102.4(8) . . ?
C5 C4 H4A 111.3 . . ?
C3 C4 H4A 111.3 . . ?
C5 C4 H4B 111.3 . . ?
C3 C4 H4B 111.3 . . ?
H4A C4 H4B 109.2 . . ?
N1 C5 C4 104.2(8) . . ?
N1 C5 H3A 110.9 . . ?
C4 C5 H3A 110.9 . . ?
N1 C5 H3B 110.9 . . ?
C4 C5 H3B 110.9 . . ?
H3A C5 H3B 108.9 . . ?
C7 N2 C10 105.8(7) . . ?
C7 N2 Cu2 109.2(5) . . ?
C10 N2 Cu2 115.4(7) . . ?
C7 N2 H2 108.8 . . ?
C10 N2 H2 108.8 . . ?
Cu2 N2 H2 108.8 . . ?
C6 O3 Cu2 115.1(6) . . ?
C6 O3 Ag1 140.1(6) . . ?
Cu2 O3 Ag1 103.7(3) . . ?
C6 O4 Cu3 121.4(5) . . ?
O4 C6 O3 124.2(8) . . ?
O4 C6 C7 116.7(7) . . ?
O3 C6 C7 119.1(7) . . ?
N2 C7 C8 105.4(7) . . ?
N2 C7 C6 109.0(7) . . ?
C8 C7 C6 113.3(8) . . ?
N2 C7 H6 109.7 . . ?
C8 C7 H6 109.7 . . ?
C6 C7 H6 109.7 . . ?
C9 C8 C7 104.6(8) . . ?
C9 C8 H8A 110.8 . . ?
C7 C8 H8A 110.8 . . ?
C9 C8 H8B 110.8 . . ?
C7 C8 H8B 110.8 . . ?
H8A C8 H8B 108.9 . . ?
C8 C9 C10 100.9(9) . . ?
C8 C9 H9A 111.6 . . ?
C10 C9 H9A 111.6 . . ?
C8 C9 H9B 111.6 . . ?
C10 C9 H9B 111.6 . . ?
H9A C9 H9B 109.4 . . ?
N2 C10 C9 104.7(8) . . ?
N2 C10 H10A 110.8 . . ?
C9 C10 H10A 110.8 . . ?
N2 C10 H10B 110.8 . . ?
C9 C10 H10B 110.8 . . ?
H10A C10 H10B 108.9 . . ?
O5 Cl1 O8 110.6(6) . . ?
O5 Cl1 O6 107.3(5) . . ?
O8 Cl1 O6 108.5(5) . . ?
O5 Cl1 O7 110.5(5) . . ?
O8 Cl1 O7 111.9(4) . . ?
O6 Cl1 O7 108.0(6) . . ?
O10A Cl2A O9A 110(2) . . ?
O10A Cl2A O12A 108(2) . . ?
O9A Cl2A O12A 118(3) . . ?
O10A Cl2A O11A 97(2) . . ?
O9A Cl2A O11A 112(3) . . ?
O12A Cl2A O11A 109(2) . . ?

_refine_diff_density_max         1.195
_refine_diff_density_min         -0.421
_refine_diff_density_rms         0.096

_shelxl_version_number           2013-2

####################################################################### 
# 
# 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_H-2a
_database_code_depnum_ccdc_archive 'CCDC 1427077'
_audit_update_record             
;
2015-09-24 deposited with the CCDC.
2015-11-12 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         
'C50 H104 Ag2 Cl8 Cu12 N16 O66, 2(Cl O4), 7(C H4 O)'
_chemical_formula_sum            'C57 H132 Ag2 Cl10 Cu12 N16 O81'
_chemical_formula_weight         3670.50

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'
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'
Cu Cu 0.3201 1.2651 '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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           1
_space_group_name_H-M_alt        'P 1'
_space_group_name_Hall           'P 1'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'

_cell_length_a                   12.7360(7)
_cell_length_b                   12.8490(8)
_cell_length_c                   19.6150(12)
_cell_angle_alpha                104.7400(10)
_cell_angle_beta                 97.6700(10)
_cell_angle_gamma                95.1970(10)
_cell_volume                     3050.4(3)
_cell_formula_units_Z            1
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    6943
_cell_measurement_theta_min      2.18
_cell_measurement_theta_max      28.00

_exptl_crystal_description       block
_exptl_crystal_colour            blue
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.998
_exptl_crystal_F_000             1846
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.160
_exptl_crystal_size_mid          0.140
_exptl_crystal_size_min          0.080
_exptl_absorpt_coefficient_mu    2.693
_shelx_estimated_absorpt_T_min   0.673
_shelx_estimated_absorpt_T_max   0.813
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6479
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   microsource
_diffrn_measurement_device_type  'Bruker Apex CCD area detector'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            47383
_diffrn_reflns_av_unetI/netI     0.0765
_diffrn_reflns_av_R_equivalents  0.0303
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_theta_min         1.088
_diffrn_reflns_theta_max         30.502
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.953
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.953
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.919
_diffrn_reflns_point_group_measured_fraction_full 0.995
_reflns_number_total             34212
_reflns_number_gt                27196
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.928
_reflns_Friedel_fraction_max     0.884
_reflns_Friedel_fraction_full    0.990

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
;
 ?
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
;
 w=1/[σ²(Fo²)+(0.0600P)²]
 where P=(Fo²+2Fc²)/3
;
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Flack x determined using 10742 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons and Flack (2004), Acta Cryst. A60, s61).
;
_refine_ls_abs_structure_Flack   0.017(9)
_chemical_absolute_configuration rmad
_refine_ls_number_reflns         34212
_refine_ls_number_parameters     1516
_refine_ls_number_restraints     260
_refine_ls_R_factor_all          0.0719
_refine_ls_R_factor_gt           0.0550
_refine_ls_wR_factor_ref         0.1352
_refine_ls_wR_factor_gt          0.1238
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_restrained_S_all      1.035
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.97797(7) 0.48606(7) 1.05274(5) 0.01630(15) Uani 1 1 d . . . . .
Cu2 Cu 1.04105(11) 0.56723(11) 1.24112(7) 0.0174(3) Uani 1 1 d . . . . .
Cu3 Cu 0.91551(10) 0.40426(10) 0.86171(7) 0.0124(2) Uani 1 1 d . . . . .
O1 O 1.0548(7) 0.6206(6) 1.3590(4) 0.0319(19) Uani 1 1 d D . . . .
H1 H 1.0696 0.5737 1.3806 0.038 Uiso 1 1 calc R U . A 1
C1A C 1.089(2) 0.7213(18) 1.4033(13) 0.040(6) Uiso 0.5 1 d D . P B 1
H1A H 1.1628 0.7437 1.3987 0.060 Uiso 0.5 1 calc R U P B 1
H1B H 1.0859 0.7202 1.4528 0.060 Uiso 0.5 1 calc R U P B 1
H1C H 1.0430 0.7728 1.3904 0.060 Uiso 0.5 1 calc R U P B 1
C1B C 1.002(2) 0.698(2) 1.3965(15) 0.054(7) Uiso 0.5 1 d D . P B 2
H1D H 0.9406 0.7093 1.3648 0.082 Uiso 0.5 1 calc R U P B 2
H1E H 1.0507 0.7661 1.4155 0.082 Uiso 0.5 1 calc R U P B 2
H1F H 0.9777 0.6742 1.4360 0.082 Uiso 0.5 1 calc R U P B 2
Cu1_1 Cu 0.91039(11) 0.74743(10) 1.04978(7) 0.0153(2) Uani 1 1 d . U . . .
N1_1 N 0.9301(7) 0.8833(7) 1.1282(4) 0.0173(16) Uani 1 1 d . . . . .
H1A_1 H 0.9855 0.9361 1.1202 0.021 Uiso 1 1 calc R U . . .
H1B_1 H 0.8625 0.9156 1.1286 0.021 Uiso 1 1 calc R U . . .
O1_1 O 0.9537(6) 0.6794(5) 1.1244(4) 0.0163(14) Uani 1 1 d . . . . .
O2_1 O 1.0214(5) 0.7152(5) 1.2394(4) 0.0220(15) Uani 1 1 d . . . . .
C1_1 C 0.9818(7) 0.7444(8) 1.1865(5) 0.0160(18) Uani 1 1 d . . . . .
C2_1 C 0.9627(8) 0.8608(7) 1.1979(5) 0.0201(18) Uani 1 1 d . . . . .
H2_1 H 1.0306 0.9087 1.2226 0.024 Uiso 1 1 calc R U . . .
C3_1 C 0.8781(11) 0.8834(10) 1.2445(6) 0.042(3) Uani 1 1 d . . . . .
H3A_1 H 0.8607 0.9572 1.2482 0.063 Uiso 1 1 calc R U . . .
H3B_1 H 0.9046 0.8766 1.2922 0.063 Uiso 1 1 calc R U . . .
H3C_1 H 0.8138 0.8312 1.2234 0.063 Uiso 1 1 calc R U . . .
N2_1 N 0.8714(7) 0.8081(6) 0.9683(4) 0.0172(16) Uani 1 1 d . U . . .
H2A_1 H 0.8241 0.8646 0.9810 0.021 Uiso 1 1 calc R U . . .
H2B_1 H 0.9364 0.8413 0.9552 0.021 Uiso 1 1 calc R U . . .
O3_1 O 0.9017(6) 0.6109(5) 0.9767(4) 0.0169(13) Uani 1 1 d . U . . .
O4_1 O 0.8504(6) 0.5346(5) 0.8603(4) 0.0188(14) Uani 1 1 d . U . . .
C4_1 C 0.8590(8) 0.6117(7) 0.9148(5) 0.0127(15) Uani 1 1 d . U . . .
C5_1 C 0.8150(9) 0.7166(8) 0.9072(5) 0.0177(17) Uani 1 1 d . U . . .
H5_1 H 0.7379 0.7085 0.9125 0.021 Uiso 1 1 calc R U . . .
C6_1 C 0.8206(8) 0.7364(7) 0.8347(5) 0.0231(19) Uani 1 1 d . U . . .
H6A_1 H 0.7904 0.8032 0.8325 0.035 Uiso 1 1 calc R U . . .
H6B_1 H 0.7796 0.6751 0.7972 0.035 Uiso 1 1 calc R U . . .
H6C_1 H 0.8953 0.7436 0.8274 0.035 Uiso 1 1 calc R U . . .
Cl1_1 Cl 1.1967(2) 0.8728(2) 1.08941(15) 0.0257(5) Uani 1 1 d . . . . .
O5_1 O 1.1296(6) 0.7734(5) 1.0496(4) 0.0253(16) Uani 1 1 d . . . . .
O6_1 O 1.2210(9) 0.8725(8) 1.1622(4) 0.061(3) Uani 1 1 d . . . . .
O7_1 O 1.2938(7) 0.8786(6) 1.0592(5) 0.043(2) Uani 1 1 d . . . . .
O8_1 O 1.1399(6) 0.9633(6) 1.0843(5) 0.038(2) Uani 1 1 d . . . . .
Cu1_2 Cu 0.71554(10) 0.36215(10) 1.05068(6) 0.0135(2) Uani 1 1 d . . . . .
N1_2 N 0.6409(7) 0.3740(7) 1.1340(4) 0.0206(18) Uani 1 1 d . . . . .
H1A_2 H 0.5810 0.4172 1.1297 0.025 Uiso 1 1 calc R U . . .
H1B_2 H 0.6110 0.3008 1.1353 0.025 Uiso 1 1 calc R U . . .
O1_2 O 0.8359(5) 0.4480(5) 1.1192(4) 0.0164(14) Uani 1 1 d . . . . .
O2_2 O 0.8888(6) 0.5285(6) 1.2356(3) 0.0239(15) Uani 1 1 d . . . . .
C1_2 C 0.8213(8) 0.4725(8) 1.1840(5) 0.0177(19) Uani 1 1 d . . . . .
C2_2 C 0.7168(8) 0.4273(7) 1.2012(5) 0.0169(18) Uani 1 1 d . . . . .
H2_2 H 0.6845 0.4896 1.2287 0.020 Uiso 1 1 calc R U . . .
C3_2 C 0.7386(8) 0.3531(8) 1.2483(5) 0.027(2) Uani 1 1 d . . . . .
H3A_2 H 0.6708 0.3154 1.2533 0.040 Uiso 1 1 calc R U . . .
H3B_2 H 0.7757 0.3960 1.2955 0.040 Uiso 1 1 calc R U . . .
H3C_2 H 0.7833 0.2998 1.2268 0.040 Uiso 1 1 calc R U . . .
N2_2 N 0.6015(6) 0.2700(6) 0.9759(4) 0.0149(16) Uani 1 1 d . . . . .
H2A_2 H 0.5989 0.1937 0.9782 0.018 Uiso 1 1 calc R U . . .
H2B_2 H 0.5315 0.2943 0.9838 0.018 Uiso 1 1 calc R U . . .
O3_2 O 0.7908(5) 0.3663(5) 0.9711(3) 0.0136(13) Uani 1 1 d . . . . .
O4_2 O 0.7740(5) 0.3226(5) 0.8531(3) 0.0145(14) Uani 1 1 d . . . . .
C4_2 C 0.7360(7) 0.3244(7) 0.9097(5) 0.0114(17) Uani 1 1 d . . . . .
C5_2 C 0.6230(7) 0.2772(7) 0.9038(4) 0.0157(16) Uani 1 1 d . . . . .
H5_2 H 0.6101 0.2029 0.8698 0.019 Uiso 1 1 calc R U . . .
C6_2 C 0.5474(7) 0.3497(7) 0.8764(4) 0.0193(18) Uani 1 1 d . . . . .
H6A_2 H 0.4731 0.3194 0.8740 0.029 Uiso 1 1 calc R U . . .
H6B_2 H 0.5596 0.3531 0.8287 0.029 Uiso 1 1 calc R U . . .
H6C_2 H 0.5612 0.4230 0.9091 0.029 Uiso 1 1 calc R U . . .
Cl1_2 Cl 0.63829(19) 0.6418(2) 1.06896(13) 0.0174(5) Uani 1 1 d . . . . .
O5_2 O 0.6643(6) 0.5437(6) 1.0260(4) 0.0248(16) Uani 1 1 d . . . . .
O6_2 O 0.7189(6) 0.7303(6) 1.0721(5) 0.0311(19) Uani 1 1 d . . . . .
O7_2 O 0.6315(7) 0.6301(7) 1.1388(4) 0.038(2) Uani 1 1 d . . . . .
O8_2 O 0.5373(6) 0.6663(7) 1.0387(4) 0.0306(19) Uani 1 1 d . . . . .
Cu1_3 Cu 1.08405(10) 0.23747(10) 1.05219(7) 0.0151(2) Uani 1 1 d . . . . .
N1_3 N 1.1708(6) 0.2001(6) 1.1313(4) 0.0177(16) Uani 1 1 d . . . . .
H1A_3 H 1.1641 0.1203 1.1228 0.021 Uiso 1 1 calc R U . . .
H1B_3 H 1.2470 0.2275 1.1345 0.021 Uiso 1 1 calc R U . . .
O1_3 O 1.0567(6) 0.3580(5) 1.1267(3) 0.0179(14) Uani 1 1 d . . . . .
O2_3 O 1.0703(6) 0.4202(6) 1.2445(4) 0.0277(17) Uani 1 1 d . . . . .
C1_3 C 1.0831(8) 0.3513(8) 1.1905(5) 0.018(2) Uani 1 1 d . . . . .
C2_3 C 1.1328(8) 0.2497(8) 1.1984(5) 0.019(2) Uani 1 1 d . . . . .
H2_3 H 1.0753 0.1968 1.2053 0.023 Uiso 1 1 calc R U . . .
C3_3 C 1.2213(8) 0.2749(8) 1.2631(5) 0.026(2) Uani 1 1 d . . . . .
H3A_3 H 1.2348 0.2075 1.2754 0.039 Uiso 1 1 calc R U . . .
H3B_3 H 1.1992 0.3251 1.3037 0.039 Uiso 1 1 calc R U . . .
H3C_3 H 1.2866 0.3082 1.2517 0.039 Uiso 1 1 calc R U . . .
N2_3 N 1.1106(7) 0.1220(7) 0.9698(4) 0.0192(18) Uani 1 1 d . . . . .
H2A_3 H 1.1866 0.1319 0.9639 0.023 Uiso 1 1 calc R U . . .
H2B_3 H 1.0944 0.0498 0.9780 0.023 Uiso 1 1 calc R U . . .
O3_3 O 1.0143(5) 0.2995(5) 0.9811(4) 0.0170(14) Uani 1 1 d . . . . .
O4_3 O 0.9793(6) 0.2740(6) 0.8630(4) 0.0199(15) Uani 1 1 d . . . . .
C4_3 C 1.0118(8) 0.2440(8) 0.9172(5) 0.0167(19) Uani 1 1 d . . . . .
C5_3 C 1.0393(9) 0.1293(9) 0.9030(6) 0.024(2) Uani 1 1 d . . . . .
H5_3 H 1.0781 0.1129 0.8612 0.029 Uiso 1 1 calc R U . . .
C6_3 C 0.9367(8) 0.0530(7) 0.8876(5) 0.026(2) Uani 1 1 d . . . . .
H6A_3 H 0.9091 0.0558 0.9323 0.039 Uiso 1 1 calc R U . . .
H6B_3 H 0.9503 -0.0211 0.8661 0.039 Uiso 1 1 calc R U . . .
H6C_3 H 0.8840 0.0747 0.8545 0.039 Uiso 1 1 calc R U . . .
Cl1_3 Cl 0.83800(19) 0.1086(2) 1.08371(13) 0.0181(5) Uani 1 1 d . U . . .
O5_3 O 0.9423(5) 0.0953(6) 1.0661(4) 0.0310(16) Uani 1 1 d . U . . .
O6_3 O 0.7939(6) 0.1868(6) 1.0530(5) 0.043(2) Uani 1 1 d . U . . .
O7_3 O 0.8476(9) 0.1405(10) 1.1591(5) 0.076(3) Uani 1 1 d . U . . .
O8_3 O 0.7732(7) 0.0069(7) 1.0553(6) 0.045(2) Uani 1 1 d . U . . .
Cu1_4 Cu 1.23542(10) 0.60832(10) 1.04649(7) 0.0151(2) Uani 1 1 d . . . . .
N1_4 N 1.3581(7) 0.6735(8) 1.1221(4) 0.0235(19) Uani 1 1 d . . . . .
H1A_4 H 1.4244 0.6496 1.1057 0.028 Uiso 1 1 calc R U . . .
H1B_4 H 1.3647 0.7535 1.1324 0.028 Uiso 1 1 calc R U . . .
O1_4 O 1.1663(5) 0.5874(6) 1.1243(4) 0.0173(14) Uani 1 1 d . . . . .
O2_4 O 1.1948(6) 0.6009(6) 1.2407(4) 0.0220(15) Uani 1 1 d . . . . .
C1_4 C 1.2263(8) 0.6086(7) 1.1846(5) 0.0166(19) Uani 1 1 d . . . . .
C2_4 C 1.3447(7) 0.6410(8) 1.1879(5) 0.0202(18) Uani 1 1 d . . . . .
H2_4 H 1.3812 0.5750 1.1870 0.024 Uiso 1 1 calc R U . . .
C3_4 C 1.3949(8) 0.7267(9) 1.2540(5) 0.031(2) Uani 1 1 d . . . . .
H3A_4 H 1.3571 0.7907 1.2582 0.047 Uiso 1 1 calc R U . . .
H3B_4 H 1.4700 0.7469 1.2514 0.047 Uiso 1 1 calc R U . . .
H3C_4 H 1.3904 0.6990 1.2958 0.047 Uiso 1 1 calc R U . . .
N2_4 N 1.2946(7) 0.6369(7) 0.9625(4) 0.0194(18) Uani 1 1 d . . . . .
H2A_4 H 1.2902 0.7133 0.9620 0.023 Uiso 1 1 calc R U . . .
H2B_4 H 1.3706 0.6251 0.9661 0.023 Uiso 1 1 calc R U . . .
O3_4 O 1.1126(5) 0.5306(6) 0.9759(4) 0.0171(14) Uani 1 1 d . . . . .
O4_4 O 1.0552(6) 0.4776(6) 0.8582(4) 0.0198(15) Uani 1 1 d . . . . .
C4_4 C 1.1244(7) 0.5224(8) 0.9118(5) 0.0138(18) Uani 1 1 d . . . . .
C5_4 C 1.2332(7) 0.5636(8) 0.8961(5) 0.0153(19) Uani 1 1 d . . . . .
H5_4 H 1.2222 0.6038 0.8588 0.018 Uiso 1 1 calc R U . . .
C6_4 C 1.2923(8) 0.4663(8) 0.8691(5) 0.026(2) Uani 1 1 d . . . . .
H6A_4 H 1.3652 0.4923 0.8647 0.039 Uiso 1 1 calc R U . . .
H6B_4 H 1.2546 0.4224 0.8224 0.039 Uiso 1 1 calc R U . . .
H6C_4 H 1.2951 0.4219 0.9031 0.039 Uiso 1 1 calc R U . . .
Cl1_4 Cl 1.35190(14) 0.36243(14) 1.05620(10) 0.0188(4) Uani 1 1 d D . . . .
O5A_4 O 1.2511(3) 0.3957(5) 1.0337(3) 0.023 Uiso 0.843(9) 1 d D U P C 1
O6A_4 O 1.3582(5) 0.2549(2) 1.0131(2) 0.023 Uiso 0.843(9) 1 d D U P C 1
O7A_4 O 1.4378(3) 0.4365(4) 1.0476(3) 0.023 Uiso 0.843(9) 1 d D U P C 1
O5B_4 O 1.2410(3) 0.342(2) 1.0241(5) 0.023 Uiso 0.157(9) 1 d D U P C 2
O6B_4 O 1.3974(19) 0.4664(7) 1.0511(4) 0.023 Uiso 0.157(9) 1 d D U P C 2
O7B_4 O 1.4082(18) 0.2790(14) 1.0193(5) 0.023 Uiso 0.157(9) 1 d D U P C 2
O8_4 O 1.3609(4) 0.3626(4) 1.13014(13) 0.041(2) Uani 1 1 d D . . . .
Ag2 Ag 0.67018(7) 0.16657(7) 0.53387(5) 0.01554(15) Uani 1 1 d . . . . .
Cu4 Cu 0.61767(10) 0.08915(10) 0.34552(7) 0.0132(2) Uani 1 1 d . . . . .
Cu5 Cu 0.72741(10) 0.24131(10) 0.72627(7) 0.0125(2) Uani 1 1 d . . . . .
O2 O 0.6156(6) 0.0344(5) 0.2272(3) 0.0185(14) Uani 1 1 d . . . . .
H2 H 0.5987 0.0791 0.2043 0.022 Uiso 1 1 calc R U . . .
C2 C 0.5903(10) -0.0715(8) 0.1819(6) 0.032(3) Uani 1 1 d . . . . .
H2A H 0.6155 -0.1232 0.2074 0.047 Uiso 1 1 calc R U . . .
H2B H 0.6250 -0.0771 0.1396 0.047 Uiso 1 1 calc R U . . .
H2C H 0.5127 -0.0880 0.1670 0.047 Uiso 1 1 calc R U . . .
Cu1_5 Cu 0.93615(9) 0.29682(10) 0.54307(6) 0.0126(2) Uani 1 1 d . U . . .
N1_5 N 1.0139(6) 0.2852(7) 0.4607(4) 0.0152(15) Uani 1 1 d . U . . .
H1A_5 H 1.0574 0.3553 0.4656 0.018 Uiso 1 1 calc R U . . .
H1B_5 H 1.0626 0.2291 0.4597 0.018 Uiso 1 1 calc R U . . .
O1_5 O 0.8193(5) 0.2092(6) 0.4722(4) 0.0161(13) Uani 1 1 d . U . . .
O2_5 O 0.7604(5) 0.1622(6) 0.3544(4) 0.0212(15) Uani 1 1 d . U . . .
C1_5 C 0.8299(7) 0.2050(7) 0.4082(5) 0.0141(16) Uani 1 1 d . U . . .
C2_5 C 0.9364(8) 0.2559(9) 0.3941(5) 0.0204(18) Uani 1 1 d . U . . .
H2_5 H 0.9233 0.3244 0.3809 0.024 Uiso 1 1 calc R U . . .
C3_5 C 0.9786(9) 0.1828(11) 0.3328(6) 0.044(3) Uani 1 1 d . U . . .
H3A_5 H 1.0400 0.2228 0.3213 0.065 Uiso 1 1 calc R U . . .
H3B_5 H 0.9223 0.1593 0.2908 0.065 Uiso 1 1 calc R U . . .
H3C_5 H 1.0008 0.1191 0.3468 0.065 Uiso 1 1 calc R U . . .
N2_5 N 1.0416(6) 0.3980(7) 0.6204(4) 0.0171(17) Uani 1 1 d . . . . .
H2A_5 H 1.1079 0.3646 0.6274 0.021 Uiso 1 1 calc R U . . .
H2B_5 H 1.0597 0.4659 0.6070 0.021 Uiso 1 1 calc R U . . .
O3_5 O 0.8562(5) 0.2842(5) 0.6182(4) 0.0158(14) Uani 1 1 d . . . . .
O4_5 O 0.8686(5) 0.3273(5) 0.7366(3) 0.0142(14) Uani 1 1 d . . . . .
C4_5 C 0.9005(8) 0.3372(7) 0.6803(5) 0.0119(17) Uani 1 1 d . . . . .
C5_5 C 0.9953(7) 0.4230(7) 0.6885(4) 0.0158(16) Uani 1 1 d . . . . .
H5_5 H 1.0505 0.4213 0.7294 0.019 Uiso 1 1 calc R U . . .
C6_5 C 0.9564(8) 0.5339(7) 0.7022(5) 0.0223(19) Uani 1 1 d . . . . .
H6A_5 H 0.9066 0.5371 0.6604 0.033 Uiso 1 1 calc R U . . .
H6B_5 H 1.0176 0.5904 0.7111 0.033 Uiso 1 1 calc R U . . .
H6C_5 H 0.9201 0.5458 0.7440 0.033 Uiso 1 1 calc R U . . .
Cl1_5 Cl 1.0296(2) 0.0148(2) 0.52232(14) 0.0198(5) Uani 1 1 d . U . . .
O5_5 O 1.0065(7) 0.1174(6) 0.5624(4) 0.0328(18) Uani 1 1 d . U . . .
O6_5 O 0.9413(6) -0.0681(6) 0.5150(4) 0.0295(17) Uani 1 1 d . U . . .
O7_5 O 1.0488(6) 0.0189(7) 0.4530(4) 0.046(2) Uani 1 1 d . U . . .
O8_5 O 1.1224(6) -0.0144(7) 0.5597(5) 0.0331(19) Uani 1 1 d . U . . .
Cu1_6 Cu 0.75005(11) -0.08892(10) 0.53939(7) 0.0165(3) Uani 1 1 d . . . . .
N1_6 N 0.7453(7) -0.2188(6) 0.4586(4) 0.0189(17) Uani 1 1 d . . . . .
H1A_6 H 0.8076 -0.2572 0.4673 0.023 Uiso 1 1 calc R U . . .
H1B_6 H 0.6795 -0.2690 0.4539 0.023 Uiso 1 1 calc R U . . .
O1_6 O 0.7045(5) -0.0190(6) 0.4655(4) 0.0169(14) Uani 1 1 d . . . . .
O2_6 O 0.6731(5) -0.0475(6) 0.3470(3) 0.0228(15) Uani 1 1 d . . . . .
C1_6 C 0.7034(7) -0.0741(8) 0.4023(5) 0.0158(18) Uani 1 1 d . . . . .
C2_6 C 0.7471(7) -0.1843(7) 0.3924(4) 0.0166(17) Uani 1 1 d . . . . .
H2_6 H 0.8237 -0.1719 0.3866 0.020 Uiso 1 1 calc R U . . .
C3_6 C 0.6909(10) -0.2722(8) 0.3274(5) 0.033(2) Uani 1 1 d . . . . .
H3A_6 H 0.7249 -0.3384 0.3242 0.049 Uiso 1 1 calc R U . . .
H3B_6 H 0.6958 -0.2479 0.2844 0.049 Uiso 1 1 calc R U . . .
H3C_6 H 0.6156 -0.2873 0.3317 0.049 Uiso 1 1 calc R U . . .
N2_6 N 0.7844(8) -0.1550(7) 0.6197(5) 0.0244(19) Uani 1 1 d . . . . .
H2A_6 H 0.7193 -0.1975 0.6260 0.029 Uiso 1 1 calc R U . . .
H2B_6 H 0.8385 -0.2048 0.6088 0.029 Uiso 1 1 calc R U . . .
O3_6 O 0.7548(5) 0.0424(5) 0.6132(4) 0.0163(14) Uani 1 1 d . . . . .
O4_6 O 0.7905(5) 0.1115(5) 0.7313(4) 0.0174(14) Uani 1 1 d . . . . .
C4_6 C 0.7867(7) 0.0355(8) 0.6772(5) 0.0151(18) Uani 1 1 d . . . . .
C5_6 C 0.8259(8) -0.0687(8) 0.6860(5) 0.0180(19) Uani 1 1 d . . . . .
H5_6 H 0.7979 -0.0880 0.7270 0.022 Uiso 1 1 calc R U . . .
C6_6 C 0.9475(8) -0.0578(9) 0.6992(5) 0.029(2) Uani 1 1 d . . . . .
H6A_6 H 0.9704 -0.1269 0.7037 0.043 Uiso 1 1 calc R U . . .
H6B_6 H 0.9753 -0.0009 0.7435 0.043 Uiso 1 1 calc R U . . .
H6C_6 H 0.9752 -0.0386 0.6591 0.043 Uiso 1 1 calc R U . . .
Cl1_6 Cl 0.8093(2) 0.54158(19) 0.50644(13) 0.0175(5) Uani 1 1 d . U . . .
O5_6 O 0.7408(6) 0.5329(6) 0.5582(4) 0.0345(17) Uani 1 1 d . U . . .
O6_6 O 0.8797(6) 0.4616(6) 0.5019(4) 0.0340(17) Uani 1 1 d . U . . .
O7_6 O 0.7448(5) 0.5284(6) 0.4378(3) 0.0263(14) Uani 1 1 d . U . . .
O8_6 O 0.8710(6) 0.6476(6) 0.5284(4) 0.0275(16) Uani 1 1 d . U . . .
Cu1_7 Cu 0.41564(10) 0.03597(10) 0.54176(7) 0.0154(2) Uani 1 1 d . . . . .
N1_7 N 0.2952(7) -0.0376(8) 0.4649(5) 0.0239(19) Uani 1 1 d . . . . .
H1A_7 H 0.2725 -0.1109 0.4695 0.029 Uiso 1 1 calc R U . . .
H1B_7 H 0.2338 0.0043 0.4689 0.029 Uiso 1 1 calc R U . . .
O1_7 O 0.4834(5) 0.0701(5) 0.4653(4) 0.0156(14) Uani 1 1 d . . . . .
O2_7 O 0.4759(5) 0.0211(6) 0.3471(3) 0.0200(14) Uani 1 1 d . . . . .
C1_7 C 0.4371(8) 0.0204(8) 0.4033(5) 0.0180(19) Uani 1 1 d . . . . .
C2_7 C 0.3299(7) -0.0463(9) 0.3938(5) 0.024(2) Uani 1 1 d . . . . .
H2_7 H 0.3384 -0.1239 0.3727 0.029 Uiso 1 1 calc R U . . .
C3_7 C 0.2466(10) -0.0150(13) 0.3434(7) 0.054(4) Uani 1 1 d . . . . .
H3A_7 H 0.1811 -0.0662 0.3338 0.081 Uiso 1 1 calc R U . . .
H3B_7 H 0.2732 -0.0169 0.2985 0.081 Uiso 1 1 calc R U . . .
H3C_7 H 0.2314 0.0585 0.3651 0.081 Uiso 1 1 calc R U . . .
N2_7 N 0.3586(6) 0.0050(7) 0.6247(4) 0.0161(16) Uani 1 1 d . . . . .
H2A_7 H 0.2796 -0.0011 0.6165 0.019 Uiso 1 1 calc R U . . .
H2B_7 H 0.3798 -0.0642 0.6320 0.019 Uiso 1 1 calc R U . . .
O3_7 O 0.5341(5) 0.1152(5) 0.6138(4) 0.0172(14) Uani 1 1 d . . . . .
O4_7 O 0.5876(5) 0.1734(6) 0.7313(4) 0.0194(15) Uani 1 1 d . . . . .
C4_7 C 0.5178(8) 0.1311(8) 0.6779(5) 0.0155(19) Uani 1 1 d . . . . .
C5_7 C 0.4040(8) 0.0963(8) 0.6881(5) 0.019(2) Uani 1 1 d . . . . .
H5_7 H 0.3624 0.1580 0.6855 0.023 Uiso 1 1 calc R U . . .
C6_7 C 0.3956(7) 0.0735(8) 0.7595(5) 0.0232(19) Uani 1 1 d . . . . .
H6A_7 H 0.3214 0.0465 0.7602 0.035 Uiso 1 1 calc R U . . .
H6B_7 H 0.4183 0.1406 0.7980 0.035 Uiso 1 1 calc R U . . .
H6C_7 H 0.4418 0.0188 0.7664 0.035 Uiso 1 1 calc R U . . .
Cl1A_7 Cl 0.3183(2) 0.2948(2) 0.55974(15) 0.0183(6) Uiso 0.679(5) 1 d D U P D 1
O5A_7 O 0.3781(5) 0.3086(6) 0.5047(3) 0.022 Uiso 0.679(5) 1 d D U P D 1
O6A_7 O 0.2888(5) 0.1809(3) 0.5515(4) 0.022 Uiso 0.679(5) 1 d D U P D 1
O7A_7 O 0.2230(4) 0.3465(5) 0.5540(4) 0.022 Uiso 0.679(5) 1 d D U P D 1
O8A_7 O 0.3827(5) 0.3429(5) 0.6287(2) 0.022 Uiso 0.679(5) 1 d D U P D 1
Cl1B_7 Cl 0.2969(4) 0.2768(5) 0.5260(3) 0.0183(6) Uiso 0.321(5) 1 d D U P D 2
O5B_7 O 0.3901(7) 0.3056(11) 0.4971(6) 0.022 Uiso 0.321(5) 1 d D U P D 2
O6B_7 O 0.3268(11) 0.2233(10) 0.5805(5) 0.022 Uiso 0.321(5) 1 d D U P D 2
O7B_7 O 0.2520(10) 0.3735(7) 0.5565(7) 0.022 Uiso 0.321(5) 1 d D U P D 2
O8B_7 O 0.2193(8) 0.2048(8) 0.4699(5) 0.022 Uiso 0.321(5) 1 d D U P D 2
Cu1_8 Cu 0.56160(10) 0.41216(10) 0.53043(7) 0.0140(2) Uani 1 1 d . . . . .
N1_8 N 0.5097(6) 0.4727(6) 0.4503(4) 0.0177(16) Uani 1 1 d . . . . .
H1A_8 H 0.4443 0.5065 0.4596 0.021 Uiso 1 1 calc R U . . .
H1B_8 H 0.5649 0.5294 0.4463 0.021 Uiso 1 1 calc R U . . .
O1_8 O 0.5960(5) 0.2973(5) 0.4532(4) 0.0151(14) Uani 1 1 d . . . . .
O2_8 O 0.5558(6) 0.2206(6) 0.3365(4) 0.0203(15) Uani 1 1 d . . . . .
C1_8 C 0.5510(8) 0.2943(8) 0.3913(5) 0.0157(19) Uani 1 1 d . . . . .
C2_8 C 0.4859(8) 0.3841(7) 0.3825(5) 0.0165(18) Uani 1 1 d . . . . .
H2_8 H 0.4089 0.3542 0.3762 0.020 Uiso 1 1 calc R U . . .
C3_8 C 0.4998(8) 0.4274(8) 0.3197(5) 0.0239(19) Uani 1 1 d . . . . .
H3A_8 H 0.4545 0.4848 0.3187 0.036 Uiso 1 1 calc R U . . .
H3B_8 H 0.4793 0.3686 0.2755 0.036 Uiso 1 1 calc R U . . .
H3C_8 H 0.5748 0.4570 0.3238 0.036 Uiso 1 1 calc R U . . .
N2_8 N 0.5316(7) 0.5229(7) 0.6141(4) 0.0199(18) Uani 1 1 d . . . . .
H2A_8 H 0.5470 0.5964 0.6076 0.024 Uiso 1 1 calc R U . . .
H2B_8 H 0.4554 0.5108 0.6188 0.024 Uiso 1 1 calc R U . . .
O3_8 O 0.6231(5) 0.3435(5) 0.6010(4) 0.0158(14) Uani 1 1 d . . . . .
O4_8 O 0.6647(6) 0.3688(6) 0.7184(4) 0.0179(14) Uani 1 1 d . . . . .
C4_8 C 0.6307(8) 0.3982(8) 0.6642(5) 0.0150(19) Uani 1 1 d . . . . .
C5_8 C 0.6003(9) 0.5137(8) 0.6791(5) 0.019(2) Uani 1 1 d . . . . .
H5_8 H 0.6675 0.5648 0.6867 0.023 Uiso 1 1 calc R U . . .
C6_8 C 0.5511(9) 0.5433(8) 0.7465(5) 0.030(2) Uani 1 1 d . . . . .
H6A_8 H 0.5380 0.6193 0.7565 0.045 Uiso 1 1 calc R U . . .
H6B_8 H 0.6002 0.5334 0.7866 0.045 Uiso 1 1 calc R U . . .
H6C_8 H 0.4834 0.4965 0.7400 0.045 Uiso 1 1 calc R U . . .
Cl1_8 Cl 0.4709(2) -0.2405(2) 0.50145(15) 0.0271(5) Uani 1 1 d . U . . .
O5_8 O 0.5157(6) -0.1331(6) 0.5092(5) 0.039(2) Uani 1 1 d . U . . .
O6_8 O 0.3806(8) -0.2370(8) 0.5382(6) 0.060(3) Uani 1 1 d . U . . .
O7_8 O 0.4376(10) -0.2986(8) 0.4298(5) 0.076(3) Uani 1 1 d . U . . .
O8_8 O 0.5485(7) -0.2954(6) 0.5330(5) 0.0393(19) Uani 1 1 d . U . . .
Cl1_9 Cl 0.5645(2) -0.1514(2) 0.72262(14) 0.0284(5) Uani 1 1 d . . . . .
O1_9 O 0.4579(8) -0.1907(8) 0.7259(6) 0.062(3) Uani 1 1 d . . . . .
O2_9 O 0.6168(7) -0.0863(7) 0.7930(4) 0.044(2) Uani 1 1 d . . . . .
O3_9 O 0.5665(6) -0.0845(6) 0.6739(4) 0.0330(17) Uani 1 1 d . . . . .
O4_9 O 0.6233(6) -0.2423(6) 0.6977(4) 0.0344(17) Uani 1 1 d . . . . .
Cl2_9 Cl 1.1580(2) -0.1492(2) 0.86069(14) 0.0265(5) Uani 1 1 d . . . . .
O5_9 O 1.1938(7) -0.0448(6) 0.8520(4) 0.041(2) Uani 1 1 d . . . . .
O6_9 O 1.2484(6) -0.1983(6) 0.8829(5) 0.0405(19) Uani 1 1 d . . . . .
O7_9 O 1.0899(6) -0.1351(7) 0.9146(4) 0.0400(19) Uani 1 1 d . . . . .
O8_9 O 1.0985(7) -0.2138(8) 0.7945(4) 0.050(2) Uani 1 1 d . . . . .
O1_10 O 1.1192(7) 0.4941(7) 1.4484(5) 0.0406(6) Uiso 1 1 d . U . . .
H1_10 H 1.1175 0.5270 1.4911 0.049 Uiso 1 1 calc R U . . .
C1_10 C 1.2296(9) 0.5029(10) 1.4350(7) 0.0406(6) Uiso 1 1 d . U . . .
H1A_10 H 1.2702 0.5694 1.4676 0.061 Uiso 1 1 calc R U . . .
H1B_10 H 1.2302 0.5052 1.3855 0.061 Uiso 1 1 calc R U . . .
H1C_10 H 1.2623 0.4399 1.4429 0.061 Uiso 1 1 calc R U . . .
O2_10 O 1.1413(7) 0.6067(6) 1.5858(4) 0.0406(6) Uiso 1 1 d . U . . .
H2_10 H 1.2000 0.5991 1.6079 0.049 Uiso 1 1 calc R U . . .
C2_10 C 1.1262(10) 0.7181(10) 1.6043(6) 0.0406(6) Uiso 1 1 d . U . . .
H2A_10 H 1.1263 0.7433 1.6558 0.061 Uiso 1 1 calc R U . . .
H2B_10 H 1.0577 0.7269 1.5784 0.061 Uiso 1 1 calc R U . . .
H2C_10 H 1.1843 0.7608 1.5913 0.061 Uiso 1 1 calc R U . . .
O3_10 O 1.3298(6) 0.6131(7) 1.6643(4) 0.0406(6) Uiso 1 1 d . U . . .
H3_10 H 1.3717 0.6712 1.6749 0.049 Uiso 1 1 calc R U . . .
C3_10 C 1.2887(10) 0.6014(10) 1.7249(6) 0.0406(6) Uiso 1 1 d . U . . .
H3A_10 H 1.3452 0.6256 1.7667 0.061 Uiso 1 1 calc R U . . .
H3B_10 H 1.2619 0.5249 1.7182 0.061 Uiso 1 1 calc R U . . .
H3C_10 H 1.2301 0.6453 1.7322 0.061 Uiso 1 1 calc R U . . .
O4_10 O 0.5483(7) 0.1500(7) 0.1320(5) 0.0406(6) Uiso 1 1 d . U . . .
H4_10 H 0.5540 0.1212 0.0894 0.049 Uiso 1 1 calc R U . . .
C4_10 C 0.4407(10) 0.1295(10) 0.1417(7) 0.0406(6) Uiso 1 1 d . U . . .
H4A_10 H 0.4365 0.1505 0.1928 0.061 Uiso 1 1 calc R U . . .
H4B_10 H 0.4150 0.0520 0.1216 0.061 Uiso 1 1 calc R U . . .
H4C_10 H 0.3963 0.1718 0.1173 0.061 Uiso 1 1 calc R U . . .
O5_10 O 0.5478(6) 0.0497(7) -0.0110(4) 0.0406(6) Uiso 1 1 d . U . . .
H5_10 H 0.5818 -0.0040 -0.0149 0.049 Uiso 1 1 calc R U . . .
C5_10 C 0.4429(9) 0.0162(10) -0.0538(6) 0.0406(6) Uiso 1 1 d . U . . .
H5A_10 H 0.3982 -0.0252 -0.0303 0.061 Uiso 1 1 calc R U . . .
H5B_10 H 0.4491 -0.0294 -0.1011 0.061 Uiso 1 1 calc R U . . .
H5C_10 H 0.4101 0.0804 -0.0591 0.061 Uiso 1 1 calc R U . . .
O6_10 O 0.6077(6) -0.1594(7) -0.0489(4) 0.0406(6) Uiso 1 1 d . U . . .
H6_10 H 0.6363 -0.1879 -0.0182 0.049 Uiso 1 1 calc R U . . .
C6_10 C 0.5291(9) -0.2300(10) -0.0928(6) 0.0406(6) Uiso 1 1 d . U . . .
H6A_10 H 0.4636 -0.2261 -0.0716 0.061 Uiso 1 1 calc R U . . .
H6B_10 H 0.5489 -0.3035 -0.1003 0.061 Uiso 1 1 calc R U . . .
H6C_10 H 0.5170 -0.2122 -0.1387 0.061 Uiso 1 1 calc R U . . .
O7_10 O 1.1792(7) 0.2530(7) 0.6882(4) 0.0406(6) Uiso 1 1 d . U . . .
H7_10 H 1.1790 0.2098 0.6481 0.049 Uiso 1 1 calc R U . . .
C7_10 C 1.1260(9) 0.2001(10) 0.7298(6) 0.0406(6) Uiso 1 1 d . U . . .
H7A_10 H 1.1334 0.2478 0.7784 0.061 Uiso 1 1 calc R U . . .
H7B_10 H 1.1570 0.1335 0.7314 0.061 Uiso 1 1 calc R U . . .
H7C_10 H 1.0501 0.1818 0.7090 0.061 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 O1_2 2.451(7) . ?
Ag1 O3_4 2.547(7) . ?
Ag1 O3_3 2.568(7) . ?
Ag1 O1_1 2.592(7) . ?
Cu2 O2_2 1.939(7) . ?
Cu2 O2_1 1.948(7) . ?
Cu2 O2_4 1.968(7) . ?
Cu2 O2_3 1.974(8) . ?
Cu2 O1 2.216(8) . ?
Cu3 O4_3 1.930(7) . ?
Cu3 O4_1 1.940(7) . ?
Cu3 O4_4 1.954(7) . ?
Cu3 O4_2 1.966(7) . ?
Cu3 O4_5 2.372(6) . ?
O1 C1A 1.36(2) . ?
O1 C1B 1.36(2) . ?
Cu1_1 O1_1 1.932(7) . ?
Cu1_1 O3_1 1.946(7) . ?
Cu1_1 N2_1 1.975(8) . ?
Cu1_1 N1_1 1.981(8) . ?
N1_1 C2_1 1.483(11) . ?
O1_1 C1_1 1.274(11) . ?
O2_1 C1_1 1.250(11) . ?
C1_1 C2_1 1.503(13) . ?
C2_1 C3_1 1.505(14) . ?
N2_1 C5_1 1.495(12) . ?
O3_1 C4_1 1.264(11) . ?
O4_1 C4_1 1.243(11) . ?
C4_1 C5_1 1.539(13) . ?
C5_1 C6_1 1.517(13) . ?
Cl1_1 O6_1 1.421(9) . ?
Cl1_1 O8_1 1.442(7) . ?
Cl1_1 O7_1 1.445(8) . ?
Cl1_1 O5_1 1.446(7) . ?
Cu1_2 O1_2 1.939(7) . ?
Cu1_2 O3_2 1.947(6) . ?
Cu1_2 N2_2 1.975(8) . ?
Cu1_2 N1_2 1.978(8) . ?
N1_2 C2_2 1.490(12) . ?
O1_2 C1_2 1.273(11) . ?
O2_2 C1_2 1.252(11) . ?
C1_2 C2_2 1.517(13) . ?
C2_2 C3_2 1.505(12) . ?
N2_2 C5_2 1.499(11) . ?
O3_2 C4_2 1.267(11) . ?
O4_2 C4_2 1.263(11) . ?
O4_2 Cu5 2.410(6) . ?
C4_2 C5_2 1.489(12) . ?
C5_2 C6_2 1.538(11) . ?
Cl1_2 O5_2 1.421(7) . ?
Cl1_2 O7_2 1.429(8) . ?
Cl1_2 O8_2 1.439(7) . ?
Cl1_2 O6_2 1.444(8) . ?
Cu1_3 O3_3 1.932(7) . ?
Cu1_3 O1_3 1.933(7) . ?
Cu1_3 N1_3 1.969(8) . ?
Cu1_3 N2_3 1.987(9) . ?
N1_3 C2_3 1.474(12) . ?
O1_3 C1_3 1.279(11) . ?
O2_3 C1_3 1.236(12) . ?
C1_3 C2_3 1.535(14) . ?
C2_3 C3_3 1.525(12) . ?
N2_3 C5_3 1.519(12) . ?
O3_3 C4_3 1.269(12) . ?
O4_3 C4_3 1.252(11) . ?
C4_3 C5_3 1.512(14) . ?
C5_3 C6_3 1.507(15) . ?
Cl1_3 O7_3 1.415(9) . ?
Cl1_3 O6_3 1.418(7) . ?
Cl1_3 O8_3 1.418(9) . ?
Cl1_3 O5_3 1.430(7) . ?
Cu1_4 O1_4 1.923(7) . ?
Cu1_4 O3_4 1.948(7) . ?
Cu1_4 N1_4 1.963(9) . ?
Cu1_4 N2_4 2.002(8) . ?
N1_4 C2_4 1.481(12) . ?
O1_4 C1_4 1.271(11) . ?
O2_4 C1_4 1.243(11) . ?
C1_4 C2_4 1.517(13) . ?
C2_4 C3_4 1.492(13) . ?
N2_4 C5_4 1.472(12) . ?
O3_4 C4_4 1.266(12) . ?
O4_4 C4_4 1.252(11) . ?
C4_4 C5_4 1.535(13) . ?
C5_4 C6_4 1.533(12) . ?
Cl1_4 O5A_4 1.4387(13) . ?
Cl1_4 O8_4 1.4389(12) . ?
Cl1_4 O7B_4 1.4396(14) . ?
Cl1_4 O6B_4 1.4397(14) . ?
Cl1_4 O5B_4 1.4397(14) . ?
Cl1_4 O6A_4 1.4401(13) . ?
Cl1_4 O7A_4 1.4401(13) . ?
Ag2 O1_5 2.477(7) . ?
Ag2 O3_8 2.490(6) . ?
Ag2 O1_6 2.529(7) . ?
Cu4 O2_5 1.934(7) . ?
Cu4 O2_7 1.941(7) . ?
Cu4 O2_6 1.956(7) . ?
Cu4 O2_8 1.964(7) . ?
Cu4 O2 2.243(6) . ?
Cu5 O4_8 1.918(7) . ?
Cu5 O4_6 1.935(7) . ?
Cu5 O4_7 1.937(7) . ?
Cu5 O4_5 1.981(7) . ?
O2 C2 1.405(11) . ?
Cu1_5 O3_5 1.931(7) . ?
Cu1_5 O1_5 1.940(7) . ?
Cu1_5 N2_5 1.982(8) . ?
Cu1_5 N1_5 1.986(8) . ?
N1_5 C2_5 1.471(12) . ?
O1_5 C1_5 1.268(11) . ?
O2_5 C1_5 1.252(11) . ?
C1_5 C2_5 1.541(13) . ?
C2_5 C3_5 1.518(14) . ?
N2_5 C5_5 1.503(11) . ?
O3_5 C4_5 1.261(11) . ?
O4_5 C4_5 1.256(11) . ?
C4_5 C5_5 1.523(13) . ?
C5_5 C6_5 1.523(12) . ?
Cl1_5 O7_5 1.427(8) . ?
Cl1_5 O5_5 1.430(8) . ?
Cl1_5 O8_5 1.437(8) . ?
Cl1_5 O6_5 1.443(8) . ?
Cu1_6 O3_6 1.914(7) . ?
Cu1_6 O1_6 1.944(7) . ?
Cu1_6 N1_6 1.977(8) . ?
Cu1_6 N2_6 1.989(9) . ?
N1_6 C2_6 1.477(11) . ?
O1_6 C1_6 1.258(11) . ?
O2_6 C1_6 1.243(11) . ?
C1_6 C2_6 1.544(12) . ?
C2_6 C3_6 1.514(12) . ?
N2_6 C5_6 1.476(13) . ?
O3_6 C4_6 1.295(12) . ?
O4_6 C4_6 1.239(11) . ?
C4_6 C5_6 1.511(13) . ?
C5_6 C6_6 1.524(13) . ?
Cl1_6 O6_6 1.417(7) . ?
Cl1_6 O8_6 1.441(8) . ?
Cl1_6 O7_6 1.443(7) . ?
Cl1_6 O5_6 1.443(7) . ?
Cu1_7 O3_7 1.931(7) . ?
Cu1_7 O1_7 1.949(7) . ?
Cu1_7 N1_7 1.978(9) . ?
Cu1_7 N2_7 1.981(8) . ?
N1_7 C2_7 1.499(12) . ?
O1_7 C1_7 1.257(12) . ?
O2_7 C1_7 1.269(12) . ?
C1_7 C2_7 1.506(13) . ?
C2_7 C3_7 1.505(15) . ?
N2_7 C5_7 1.483(12) . ?
O3_7 C4_7 1.270(12) . ?
O4_7 C4_7 1.249(12) . ?
C4_7 C5_7 1.531(14) . ?
C5_7 C6_7 1.518(14) . ?
Cl1A_7 O5A_7 1.4385(13) . ?
Cl1A_7 O8A_7 1.4395(13) . ?
Cl1A_7 O7A_7 1.4396(13) . ?
Cl1A_7 O6A_7 1.4405(13) . ?
Cl1B_7 O8B_7 1.4389(14) . ?
Cl1B_7 O7B_7 1.4393(14) . ?
Cl1B_7 O5B_7 1.4399(14) . ?
Cl1B_7 O6B_7 1.4400(14) . ?
O5B_7 Cu1_8 2.387(8) . ?
Cu1_8 O3_8 1.941(6) . ?
Cu1_8 O1_8 1.954(7) . ?
Cu1_8 N2_8 1.985(8) . ?
Cu1_8 N1_8 1.988(7) . ?
N1_8 C2_8 1.490(12) . ?
O1_8 C1_8 1.261(12) . ?
O2_8 C1_8 1.252(11) . ?
C1_8 C2_8 1.511(12) . ?
C2_8 C3_8 1.498(12) . ?
N2_8 C5_8 1.484(13) . ?
O3_8 C4_8 1.246(11) . ?
O4_8 C4_8 1.254(11) . ?
C4_8 C5_8 1.534(13) . ?
C5_8 C6_8 1.514(13) . ?
Cl1_8 O7_8 1.401(10) . ?
Cl1_8 O5_8 1.407(8) . ?
Cl1_8 O8_8 1.430(8) . ?
Cl1_8 O6_8 1.435(9) . ?
Cl1_9 O1_9 1.420(10) . ?
Cl1_9 O3_9 1.439(7) . ?
Cl1_9 O2_9 1.455(8) . ?
Cl1_9 O4_9 1.460(7) . ?
Cl2_9 O8_9 1.422(8) . ?
Cl2_9 O6_9 1.433(8) . ?
Cl2_9 O5_9 1.437(8) . ?
Cl2_9 O7_9 1.441(8) . ?
O1_10 C1_10 1.464(14) . ?
O2_10 C2_10 1.421(14) . ?
O3_10 C3_10 1.396(13) . ?
O4_10 C4_10 1.418(14) . ?
O5_10 C5_10 1.445(13) . ?
O6_10 C6_10 1.332(13) . ?
O7_10 C7_10 1.390(13) . ?

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
O1_2 Ag1 O3_4 174.7(2) . . ?
O1_2 Ag1 O3_3 105.4(2) . . ?
O3_4 Ag1 O3_3 75.9(2) . . ?
O1_2 Ag1 O1_1 78.1(2) . . ?
O3_4 Ag1 O1_1 100.7(2) . . ?
O3_3 Ag1 O1_1 176.3(2) . . ?
O2_2 Cu2 O2_1 91.5(3) . . ?
O2_2 Cu2 O2_4 176.5(3) . . ?
O2_1 Cu2 O2_4 89.7(3) . . ?
O2_2 Cu2 O2_3 91.9(3) . . ?
O2_1 Cu2 O2_3 176.5(3) . . ?
O2_4 Cu2 O2_3 87.0(3) . . ?
O2_2 Cu2 O1 88.5(3) . . ?
O2_1 Cu2 O1 88.3(3) . . ?
O2_4 Cu2 O1 94.8(3) . . ?
O2_3 Cu2 O1 91.1(3) . . ?
O4_3 Cu3 O4_1 179.6(3) . . ?
O4_3 Cu3 O4_4 89.5(3) . . ?
O4_1 Cu3 O4_4 90.9(3) . . ?
O4_3 Cu3 O4_2 89.2(3) . . ?
O4_1 Cu3 O4_2 90.3(3) . . ?
O4_4 Cu3 O4_2 173.2(3) . . ?
O4_3 Cu3 O4_5 86.0(3) . . ?
O4_1 Cu3 O4_5 93.9(3) . . ?
O4_4 Cu3 O4_5 95.7(3) . . ?
O4_2 Cu3 O4_5 77.5(2) . . ?
C1A O1 Cu2 128.1(13) . . ?
C1B O1 Cu2 125.7(13) . . ?
O1_1 Cu1_1 O3_1 91.3(3) . . ?
O1_1 Cu1_1 N2_1 175.4(3) . . ?
O3_1 Cu1_1 N2_1 84.6(3) . . ?
O1_1 Cu1_1 N1_1 85.1(3) . . ?
O3_1 Cu1_1 N1_1 175.3(3) . . ?
N2_1 Cu1_1 N1_1 98.8(3) . . ?
C2_1 N1_1 Cu1_1 110.3(6) . . ?
C1_1 O1_1 Cu1_1 115.0(6) . . ?
C1_1 O1_1 Ag1 140.1(6) . . ?
Cu1_1 O1_1 Ag1 102.6(3) . . ?
C1_1 O2_1 Cu2 126.2(6) . . ?
O2_1 C1_1 O1_1 123.1(9) . . ?
O2_1 C1_1 C2_1 118.1(8) . . ?
O1_1 C1_1 C2_1 118.8(8) . . ?
N1_1 C2_1 C1_1 110.0(7) . . ?
N1_1 C2_1 C3_1 110.8(8) . . ?
C1_1 C2_1 C3_1 109.4(8) . . ?
C5_1 N2_1 Cu1_1 107.4(6) . . ?
C4_1 O3_1 Cu1_1 114.9(6) . . ?
C4_1 O4_1 Cu3 121.7(6) . . ?
O4_1 C4_1 O3_1 124.9(9) . . ?
O4_1 C4_1 C5_1 118.2(8) . . ?
O3_1 C4_1 C5_1 116.9(8) . . ?
N2_1 C5_1 C6_1 113.6(8) . . ?
N2_1 C5_1 C4_1 108.0(8) . . ?
C6_1 C5_1 C4_1 113.0(8) . . ?
O6_1 Cl1_1 O8_1 109.6(5) . . ?
O6_1 Cl1_1 O7_1 110.1(6) . . ?
O8_1 Cl1_1 O7_1 110.7(5) . . ?
O6_1 Cl1_1 O5_1 109.3(6) . . ?
O8_1 Cl1_1 O5_1 108.8(5) . . ?
O7_1 Cl1_1 O5_1 108.4(5) . . ?
O1_2 Cu1_2 O3_2 91.6(3) . . ?
O1_2 Cu1_2 N2_2 175.3(3) . . ?
O3_2 Cu1_2 N2_2 84.3(3) . . ?
O1_2 Cu1_2 N1_2 85.4(3) . . ?
O3_2 Cu1_2 N1_2 174.3(3) . . ?
N2_2 Cu1_2 N1_2 98.8(3) . . ?
C2_2 N1_2 Cu1_2 109.9(6) . . ?
C1_2 O1_2 Cu1_2 115.3(6) . . ?
C1_2 O1_2 Ag1 136.8(6) . . ?
Cu1_2 O1_2 Ag1 107.8(3) . . ?
C1_2 O2_2 Cu2 129.6(6) . . ?
O2_2 C1_2 O1_2 124.7(9) . . ?
O2_2 C1_2 C2_2 116.9(8) . . ?
O1_2 C1_2 C2_2 118.3(8) . . ?
N1_2 C2_2 C3_2 113.4(8) . . ?
N1_2 C2_2 C1_2 110.2(7) . . ?
C3_2 C2_2 C1_2 109.6(8) . . ?
C5_2 N2_2 Cu1_2 109.7(6) . . ?
C4_2 O3_2 Cu1_2 115.1(6) . . ?
C4_2 O4_2 Cu3 118.1(6) . . ?
C4_2 O4_2 Cu5 139.2(6) . . ?
Cu3 O4_2 Cu5 102.6(3) . . ?
O4_2 C4_2 O3_2 122.0(9) . . ?
O4_2 C4_2 C5_2 118.9(8) . . ?
O3_2 C4_2 C5_2 119.1(8) . . ?
C4_2 C5_2 N2_2 109.4(7) . . ?
C4_2 C5_2 C6_2 109.8(8) . . ?
N2_2 C5_2 C6_2 109.1(7) . . ?
O5_2 Cl1_2 O7_2 109.0(5) . . ?
O5_2 Cl1_2 O8_2 110.6(5) . . ?
O7_2 Cl1_2 O8_2 109.0(5) . . ?
O5_2 Cl1_2 O6_2 109.5(5) . . ?
O7_2 Cl1_2 O6_2 110.8(5) . . ?
O8_2 Cl1_2 O6_2 107.9(5) . . ?
O3_3 Cu1_3 O1_3 89.7(3) . . ?
O3_3 Cu1_3 N1_3 169.7(3) . . ?
O1_3 Cu1_3 N1_3 84.1(3) . . ?
O3_3 Cu1_3 N2_3 85.5(3) . . ?
O1_3 Cu1_3 N2_3 174.9(3) . . ?
N1_3 Cu1_3 N2_3 100.3(3) . . ?
C2_3 N1_3 Cu1_3 108.8(6) . . ?
C1_3 O1_3 Cu1_3 115.4(6) . . ?
C1_3 O2_3 Cu2 121.6(7) . . ?
O2_3 C1_3 O1_3 124.2(10) . . ?
O2_3 C1_3 C2_3 119.5(9) . . ?
O1_3 C1_3 C2_3 116.3(9) . . ?
N1_3 C2_3 C3_3 112.2(8) . . ?
N1_3 C2_3 C1_3 108.5(8) . . ?
C3_3 C2_3 C1_3 112.1(8) . . ?
C5_3 N2_3 Cu1_3 108.4(6) . . ?
C4_3 O3_3 Cu1_3 114.1(6) . . ?
C4_3 O3_3 Ag1 140.9(6) . . ?
Cu1_3 O3_3 Ag1 104.4(3) . . ?
C4_3 O4_3 Cu3 126.5(7) . . ?
O4_3 C4_3 O3_3 124.6(9) . . ?
O4_3 C4_3 C5_3 115.8(9) . . ?
O3_3 C4_3 C5_3 119.4(9) . . ?
C6_3 C5_3 C4_3 108.2(8) . . ?
C6_3 C5_3 N2_3 111.4(9) . . ?
C4_3 C5_3 N2_3 107.1(8) . . ?
O7_3 Cl1_3 O6_3 111.4(6) . . ?
O7_3 Cl1_3 O8_3 110.2(7) . . ?
O6_3 Cl1_3 O8_3 109.5(5) . . ?
O7_3 Cl1_3 O5_3 107.9(6) . . ?
O6_3 Cl1_3 O5_3 110.0(5) . . ?
O8_3 Cl1_3 O5_3 107.7(5) . . ?
O1_4 Cu1_4 O3_4 92.1(3) . . ?
O1_4 Cu1_4 N1_4 83.9(3) . . ?
O3_4 Cu1_4 N1_4 173.9(4) . . ?
O1_4 Cu1_4 N2_4 174.2(3) . . ?
O3_4 Cu1_4 N2_4 84.7(3) . . ?
N1_4 Cu1_4 N2_4 99.7(4) . . ?
C2_4 N1_4 Cu1_4 110.5(6) . . ?
C1_4 O1_4 Cu1_4 115.7(6) . . ?
C1_4 O2_4 Cu2 119.7(6) . . ?
O2_4 C1_4 O1_4 124.3(9) . . ?
O2_4 C1_4 C2_4 117.8(8) . . ?
O1_4 C1_4 C2_4 117.8(8) . . ?
N1_4 C2_4 C3_4 112.4(8) . . ?
N1_4 C2_4 C1_4 107.4(7) . . ?
C3_4 C2_4 C1_4 113.7(8) . . ?
C5_4 N2_4 Cu1_4 109.6(6) . . ?
C4_4 O3_4 Cu1_4 114.4(6) . . ?
C4_4 O3_4 Ag1 142.7(6) . . ?
Cu1_4 O3_4 Ag1 102.9(3) . . ?
C4_4 O4_4 Cu3 124.5(7) . . ?
O4_4 C4_4 O3_4 125.1(9) . . ?
O4_4 C4_4 C5_4 115.7(9) . . ?
O3_4 C4_4 C5_4 119.2(8) . . ?
N2_4 C5_4 C6_4 110.4(8) . . ?
N2_4 C5_4 C4_4 108.4(7) . . ?
C6_4 C5_4 C4_4 109.0(8) . . ?
O5A_4 Cl1_4 O8_4 109.52(18) . . ?
O8_4 Cl1_4 O7B_4 109.5(2) . . ?
O8_4 Cl1_4 O6B_4 109.5(2) . . ?
O7B_4 Cl1_4 O6B_4 109.5(2) . . ?
O8_4 Cl1_4 O5B_4 109.5(2) . . ?
O7B_4 Cl1_4 O5B_4 109.4(2) . . ?
O6B_4 Cl1_4 O5B_4 109.4(2) . . ?
O5A_4 Cl1_4 O6A_4 109.39(18) . . ?
O8_4 Cl1_4 O6A_4 109.71(18) . . ?
O5A_4 Cl1_4 O7A_4 109.55(18) . . ?
O8_4 Cl1_4 O7A_4 109.40(18) . . ?
O6A_4 Cl1_4 O7A_4 109.26(18) . . ?
O1_5 Ag2 O3_8 106.6(2) . . ?
O1_5 Ag2 O1_6 77.1(2) . . ?
O3_8 Ag2 O1_6 175.9(2) . . ?
O2_5 Cu4 O2_7 174.1(3) . . ?
O2_5 Cu4 O2_6 91.3(3) . . ?
O2_7 Cu4 O2_6 89.2(3) . . ?
O2_5 Cu4 O2_8 90.9(3) . . ?
O2_7 Cu4 O2_8 89.0(3) . . ?
O2_6 Cu4 O2_8 175.5(3) . . ?
O2_5 Cu4 O2 88.0(3) . . ?
O2_7 Cu4 O2 97.9(3) . . ?
O2_6 Cu4 O2 85.1(3) . . ?
O2_8 Cu4 O2 91.1(3) . . ?
O4_8 Cu5 O4_6 178.4(3) . . ?
O4_8 Cu5 O4_7 88.8(3) . . ?
O4_6 Cu5 O4_7 91.5(3) . . ?
O4_8 Cu5 O4_5 87.4(3) . . ?
O4_6 Cu5 O4_5 92.6(3) . . ?
O4_7 Cu5 O4_5 170.5(3) . . ?
O4_8 Cu5 O4_2 88.5(3) . . ?
O4_6 Cu5 O4_2 93.1(3) . . ?
O4_7 Cu5 O4_2 94.9(3) . . ?
O4_5 Cu5 O4_2 76.3(2) . . ?
C2 O2 Cu4 128.0(6) . . ?
O3_5 Cu1_5 O1_5 90.1(3) . . ?
O3_5 Cu1_5 N2_5 85.3(3) . . ?
O1_5 Cu1_5 N2_5 172.6(3) . . ?
O3_5 Cu1_5 N1_5 171.2(3) . . ?
O1_5 Cu1_5 N1_5 84.5(3) . . ?
N2_5 Cu1_5 N1_5 100.7(3) . . ?
C2_5 N1_5 Cu1_5 109.3(6) . . ?
C1_5 O1_5 Cu1_5 114.2(6) . . ?
C1_5 O1_5 Ag2 135.7(6) . . ?
Cu1_5 O1_5 Ag2 108.6(3) . . ?
C1_5 O2_5 Cu4 131.1(6) . . ?
O2_5 C1_5 O1_5 125.3(9) . . ?
O2_5 C1_5 C2_5 116.2(8) . . ?
O1_5 C1_5 C2_5 118.5(8) . . ?
N1_5 C2_5 C3_5 112.0(9) . . ?
N1_5 C2_5 C1_5 108.7(7) . . ?
C3_5 C2_5 C1_5 112.7(8) . . ?
C5_5 N2_5 Cu1_5 109.5(6) . . ?
C4_5 O3_5 Cu1_5 115.1(6) . . ?
C4_5 O4_5 Cu5 117.3(6) . . ?
C4_5 O4_5 Cu3 138.4(6) . . ?
Cu5 O4_5 Cu3 103.5(3) . . ?
O4_5 C4_5 O3_5 124.3(9) . . ?
O4_5 C4_5 C5_5 117.2(8) . . ?
O3_5 C4_5 C5_5 118.5(8) . . ?
N2_5 C5_5 C4_5 108.1(7) . . ?
N2_5 C5_5 C6_5 110.6(7) . . ?
C4_5 C5_5 C6_5 108.7(7) . . ?
O7_5 Cl1_5 O5_5 111.0(5) . . ?
O7_5 Cl1_5 O8_5 109.2(5) . . ?
O5_5 Cl1_5 O8_5 109.4(5) . . ?
O7_5 Cl1_5 O6_5 109.1(5) . . ?
O5_5 Cl1_5 O6_5 110.1(5) . . ?
O8_5 Cl1_5 O6_5 108.0(5) . . ?
O3_6 Cu1_6 O1_6 91.8(3) . . ?
O3_6 Cu1_6 N1_6 176.2(3) . . ?
O1_6 Cu1_6 N1_6 84.6(3) . . ?
O3_6 Cu1_6 N2_6 84.7(3) . . ?
O1_6 Cu1_6 N2_6 174.2(3) . . ?
N1_6 Cu1_6 N2_6 98.9(4) . . ?
C2_6 N1_6 Cu1_6 108.9(5) . . ?
C1_6 O1_6 Cu1_6 115.6(6) . . ?
C1_6 O1_6 Ag2 140.2(6) . . ?
Cu1_6 O1_6 Ag2 104.2(3) . . ?
C1_6 O2_6 Cu4 124.3(6) . . ?
O2_6 C1_6 O1_6 126.5(9) . . ?
O2_6 C1_6 C2_6 116.6(8) . . ?
O1_6 C1_6 C2_6 116.9(8) . . ?
N1_6 C2_6 C3_6 111.5(7) . . ?
N1_6 C2_6 C1_6 108.7(7) . . ?
C3_6 C2_6 C1_6 114.7(8) . . ?
C5_6 N2_6 Cu1_6 109.6(6) . . ?
C4_6 O3_6 Cu1_6 114.7(6) . . ?
C4_6 O4_6 Cu5 121.1(6) . . ?
O4_6 C4_6 O3_6 123.1(9) . . ?
O4_6 C4_6 C5_6 118.5(9) . . ?
O3_6 C4_6 C5_6 118.4(8) . . ?
N2_6 C5_6 C4_6 108.0(8) . . ?
N2_6 C5_6 C6_6 109.3(8) . . ?
C4_6 C5_6 C6_6 111.5(8) . . ?
O6_6 Cl1_6 O8_6 109.2(5) . . ?
O6_6 Cl1_6 O7_6 110.3(5) . . ?
O8_6 Cl1_6 O7_6 108.8(4) . . ?
O6_6 Cl1_6 O5_6 110.0(5) . . ?
O8_6 Cl1_6 O5_6 109.1(5) . . ?
O7_6 Cl1_6 O5_6 109.5(4) . . ?
O3_7 Cu1_7 O1_7 92.1(3) . . ?
O3_7 Cu1_7 N1_7 176.3(4) . . ?
O1_7 Cu1_7 N1_7 85.1(3) . . ?
O3_7 Cu1_7 N2_7 83.3(3) . . ?
O1_7 Cu1_7 N2_7 175.2(3) . . ?
N1_7 Cu1_7 N2_7 99.6(3) . . ?
C2_7 N1_7 Cu1_7 109.3(6) . . ?
C1_7 O1_7 Cu1_7 114.6(6) . . ?
C1_7 O2_7 Cu4 124.9(6) . . ?
O1_7 C1_7 O2_7 123.9(9) . . ?
O1_7 C1_7 C2_7 119.2(9) . . ?
O2_7 C1_7 C2_7 117.0(8) . . ?
N1_7 C2_7 C3_7 111.2(9) . . ?
N1_7 C2_7 C1_7 110.2(8) . . ?
C3_7 C2_7 C1_7 112.1(9) . . ?
C5_7 N2_7 Cu1_7 107.2(6) . . ?
C4_7 O3_7 Cu1_7 115.3(6) . . ?
C4_7 O4_7 Cu5 123.7(7) . . ?
O4_7 C4_7 O3_7 124.1(9) . . ?
O4_7 C4_7 C5_7 119.6(9) . . ?
O3_7 C4_7 C5_7 116.3(8) . . ?
N2_7 C5_7 C6_7 114.9(8) . . ?
N2_7 C5_7 C4_7 106.1(8) . . ?
C6_7 C5_7 C4_7 114.7(8) . . ?
O5A_7 Cl1A_7 O8A_7 109.54(19) . . ?
O5A_7 Cl1A_7 O7A_7 109.37(19) . . ?
O8A_7 Cl1A_7 O7A_7 109.74(19) . . ?
O5A_7 Cl1A_7 O6A_7 109.59(19) . . ?
O8A_7 Cl1A_7 O6A_7 109.37(19) . . ?
O7A_7 Cl1A_7 O6A_7 109.22(19) . . ?
O8B_7 Cl1B_7 O7B_7 109.6(2) . . ?
O8B_7 Cl1B_7 O5B_7 109.4(2) . . ?
O7B_7 Cl1B_7 O5B_7 109.4(2) . . ?
O8B_7 Cl1B_7 O6B_7 109.4(2) . . ?
O7B_7 Cl1B_7 O6B_7 109.5(2) . . ?
O5B_7 Cl1B_7 O6B_7 109.4(2) . . ?
Cl1B_7 O5B_7 Cu1_8 141.9(7) . . ?
O3_8 Cu1_8 O1_8 90.8(3) . . ?
O3_8 Cu1_8 N2_8 84.8(3) . . ?
O1_8 Cu1_8 N2_8 175.6(3) . . ?
O3_8 Cu1_8 N1_8 173.0(3) . . ?
O1_8 Cu1_8 N1_8 82.8(3) . . ?
N2_8 Cu1_8 N1_8 101.7(3) . . ?
O3_8 Cu1_8 O5B_7 98.4(4) . . ?
O1_8 Cu1_8 O5B_7 82.1(4) . . ?
N2_8 Cu1_8 O5B_7 98.5(4) . . ?
N1_8 Cu1_8 O5B_7 83.4(4) . . ?
C2_8 N1_8 Cu1_8 109.4(5) . . ?
C1_8 O1_8 Cu1_8 115.3(6) . . ?
C1_8 O2_8 Cu4 119.9(6) . . ?
O2_8 C1_8 O1_8 123.9(9) . . ?
O2_8 C1_8 C2_8 117.6(9) . . ?
O1_8 C1_8 C2_8 118.4(8) . . ?
N1_8 C2_8 C3_8 111.0(8) . . ?
N1_8 C2_8 C1_8 108.1(7) . . ?
C3_8 C2_8 C1_8 115.8(8) . . ?
C5_8 N2_8 Cu1_8 108.5(6) . . ?
C4_8 O3_8 Cu1_8 114.8(6) . . ?
C4_8 O3_8 Ag2 138.5(6) . . ?
Cu1_8 O3_8 Ag2 106.7(3) . . ?
C4_8 O4_8 Cu5 130.3(6) . . ?
O3_8 C4_8 O4_8 125.8(9) . . ?
O3_8 C4_8 C5_8 118.8(8) . . ?
O4_8 C4_8 C5_8 115.4(8) . . ?
N2_8 C5_8 C6_8 114.3(8) . . ?
N2_8 C5_8 C4_8 108.0(8) . . ?
C6_8 C5_8 C4_8 111.6(8) . . ?
O7_8 Cl1_8 O5_8 112.6(6) . . ?
O7_8 Cl1_8 O8_8 108.6(6) . . ?
O5_8 Cl1_8 O8_8 109.2(5) . . ?
O7_8 Cl1_8 O6_8 109.0(7) . . ?
O5_8 Cl1_8 O6_8 108.2(5) . . ?
O8_8 Cl1_8 O6_8 109.3(6) . . ?
O1_9 Cl1_9 O3_9 111.0(6) . . ?
O1_9 Cl1_9 O2_9 109.7(6) . . ?
O3_9 Cl1_9 O2_9 108.2(5) . . ?
O1_9 Cl1_9 O4_9 109.9(6) . . ?
O3_9 Cl1_9 O4_9 108.1(4) . . ?
O2_9 Cl1_9 O4_9 109.8(5) . . ?
O8_9 Cl2_9 O6_9 111.4(5) . . ?
O8_9 Cl2_9 O5_9 108.3(6) . . ?
O6_9 Cl2_9 O5_9 109.5(5) . . ?
O8_9 Cl2_9 O7_9 109.3(5) . . ?
O6_9 Cl2_9 O7_9 109.4(5) . . ?
O5_9 Cl2_9 O7_9 109.0(5) . . ?

_refine_diff_density_max         3.024
_refine_diff_density_min         -3.122
_refine_diff_density_rms         0.145

_shelxl_version_number           2013-2

####################################################################### 
# 
# 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_H-2b
_database_code_depnum_ccdc_archive 'CCDC 1427078'
_audit_update_record             
;
2015-09-24 deposited with the CCDC.
2015-11-12 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         
'2(C24 H48 Ag Cl4 Cu6 N8 O32), 2(Cl O4), 7(C H4 O), 3(H2 O)'
_chemical_formula_sum            'C55 H130 Ag2 Cl10 Cu12 N16 O82'
_chemical_formula_weight         3660.46

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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 '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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_H-M_alt        'P 21'
_space_group_name_Hall           'P 2yb'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

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

_cell_length_a                   9.8711(12)
_cell_length_b                   24.766(3)
_cell_length_c                   25.596(3)
_cell_angle_alpha                90
_cell_angle_beta                 100.770(2)
_cell_angle_gamma                90
_cell_volume                     6147.2(13)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9565
_cell_measurement_theta_min      2.26
_cell_measurement_theta_max      24.17

_exptl_crystal_description       plate
_exptl_crystal_colour            blue
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.978
_exptl_crystal_F_000             3680
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.220
_exptl_crystal_size_mid          0.140
_exptl_crystal_size_min          0.040
_exptl_absorpt_coefficient_mu    2.673
_shelx_estimated_absorpt_T_min   0.591
_shelx_estimated_absorpt_T_max   0.901
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  .5806
_exptl_absorpt_correction_T_max  .7456
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   microsource
_diffrn_measurement_device_type  'Bruker D8 goniometer with APEX CCD detector'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            93433
_diffrn_reflns_av_unetI/netI     0.1494
_diffrn_reflns_av_R_equivalents  0.0803
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -35
_diffrn_reflns_limit_k_max       35
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_theta_min         2.100
_diffrn_reflns_theta_max         30.664
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.965
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.965
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.941
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             35809
_reflns_number_gt                22713
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.910
_reflns_Friedel_fraction_max     0.916
_reflns_Friedel_fraction_full    0.999

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
;
 ?
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
;
 w=1/[σ²(Fo²)+(0.0900P)²+1.0000P]
 where P=(Fo²+2Fc²)/3
;
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Flack x determined using 7827 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons and Flack (2004), Acta Cryst. A60, s61).
;
_refine_ls_abs_structure_Flack   0.074(7)
_chemical_absolute_configuration rmad
_refine_ls_number_reflns         35809
_refine_ls_number_parameters     1504
_refine_ls_number_restraints     320
_refine_ls_R_factor_all          0.1219
_refine_ls_R_factor_gt           0.0799
_refine_ls_wR_factor_ref         0.2059
_refine_ls_wR_factor_gt          0.1879
_refine_ls_goodness_of_fit_ref   1.014
_refine_ls_restrained_S_all      1.013
_refine_ls_shift/su_max          0.016
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.06583(12) 0.4713(3) 0.90719(5) 0.0215(2) Uani 1 1 d . . . . .
Ag2 Ag 0.42978(12) 0.4608(3) 0.41587(5) 0.0219(2) Uani 1 1 d . . . . .
Cu2 Cu -0.28643(17) 0.5019(3) 0.89567(7) 0.0207(4) Uani 1 1 d . . . . .
Cu3 Cu 0.41610(17) 0.4399(3) 0.91678(7) 0.0195(4) Uani 1 1 d . . . . .
Cu4 Cu 0.76611(17) 0.4485(3) 0.38588(7) 0.0182(4) Uani 1 1 d . . . . .
Cu5 Cu 0.09952(17) 0.4747(3) 0.44498(7) 0.0212(4) Uani 1 1 d . . . . .
Cu1_1 Cu 0.12499(18) 0.5969(3) 0.84652(8) 0.0234(4) Uani 1 1 d . . . . .
Cl1_1 Cl 0.0182(6) 0.5248(4) 0.71689(17) 0.0455(12) Uani 1 1 d . . . . .
O1_1 O -0.0352(10) 0.5579(5) 0.8600(4) 0.020(2) Uani 1 1 d . . . . .
O2_1 O -0.2615(11) 0.5680(5) 0.8599(4) 0.026(2) Uani 1 1 d . . . . .
O3_1 O 0.2470(10) 0.5380(5) 0.8759(4) 0.020(2) Uani 1 1 d . . . . .
O4_1 O 0.4602(9) 0.5088(5) 0.8879(4) 0.022(2) Uani 1 1 d . . . . .
O5_1 O 0.1186(16) 0.5418(7) 0.7603(5) 0.059(4) Uani 1 1 d . . . . .
O6_1 O -0.0040(19) 0.4681(7) 0.7167(7) 0.073(5) Uani 1 1 d . . . . .
O7A_1 O 0.028(4) 0.5485(15) 0.6669(13) 0.056(4) Uiso 0.48(2) 1 d . U P A 1
O8A_1 O -0.130(3) 0.5432(14) 0.7358(14) 0.056(4) Uiso 0.48(2) 1 d . U P A 1
O7B_1 O 0.100(4) 0.5351(13) 0.6726(12) 0.056(4) Uiso 0.52(2) 1 d . U P A 2
O8B_1 O -0.097(3) 0.5576(13) 0.7112(13) 0.056(4) Uiso 0.52(2) 1 d . U P A 2
N1_1 N -0.0104(14) 0.6482(7) 0.8045(7) 0.043(4) Uani 1 1 d . . . . .
H1A_1 H 0.0213 0.6859 0.8114 0.052 Uiso 1 1 calc R U . . .
H1B_1 H -0.0192 0.6409 0.7659 0.052 Uiso 1 1 calc R U . . .
N2_1 N 0.2977(13) 0.6364(7) 0.8442(6) 0.035(4) Uani 1 1 d . . . . .
H2A_1 H 0.3037 0.6443 0.8068 0.042 Uiso 1 1 calc R U . . .
H2B_1 H 0.2975 0.6712 0.8633 0.042 Uiso 1 1 calc R U . . .
C1_1 C -0.1466(16) 0.5853(7) 0.8477(6) 0.028(3) Uani 1 1 d . . . . .
C2_1 C -0.1464(16) 0.6401(7) 0.8212(7) 0.028(4) Uani 1 1 d . . . . .
H2_1 H -0.1534 0.6680 0.8489 0.033 Uiso 1 1 calc R U . . .
C3_1 C -0.2690(18) 0.6487(8) 0.7756(9) 0.045(5) Uani 1 1 d . . . . .
H3A_1 H -0.2655 0.6853 0.7614 0.068 Uiso 1 1 calc R U . . .
H3B_1 H -0.3552 0.6439 0.7887 0.068 Uiso 1 1 calc R U . . .
H3C_1 H -0.2647 0.6224 0.7473 0.068 Uiso 1 1 calc R U . . .
C4_1 C 0.3716(15) 0.5452(7) 0.8783(6) 0.022(3) Uani 1 1 d . . . . .
C5_1 C 0.4205(15) 0.6034(7) 0.8696(6) 0.022(3) Uani 1 1 d . . . . .
H5_1 H 0.4881 0.6021 0.8450 0.026 Uiso 1 1 calc R U . . .
C6_1 C 0.4928(17) 0.6249(8) 0.9231(7) 0.039(4) Uani 1 1 d . . . . .
H6A_1 H 0.5197 0.6626 0.9192 0.059 Uiso 1 1 calc R U . . .
H6B_1 H 0.5753 0.6032 0.9361 0.059 Uiso 1 1 calc R U . . .
H6C_1 H 0.4302 0.6229 0.9486 0.059 Uiso 1 1 calc R U . . .
Cu1_2 Cu -0.00559(19) 0.3964(3) 0.78444(7) 0.0241(4) Uani 1 1 d . . . . .
Cl1_2 Cl 0.0299(6) 0.2664(4) 0.8529(2) 0.0495(12) Uani 1 1 d . . . . .
O1_2 O -0.1112(10) 0.4384(5) 0.8261(4) 0.022(2) Uani 1 1 d . . . . .
O2_2 O -0.3263(10) 0.4633(5) 0.8293(4) 0.029(2) Uani 1 1 d . . . . .
O3_2 O 0.1600(10) 0.4155(5) 0.8331(4) 0.027(2) Uani 1 1 d . U . . .
O4_2 O 0.3896(10) 0.4060(5) 0.8466(4) 0.027(2) Uani 1 1 d . U . . .
O5_2 O -0.0488(15) 0.3101(7) 0.8695(6) 0.059(4) Uani 1 1 d . . . . .
O6_2 O 0.0345(19) 0.2198(7) 0.8842(5) 0.066(5) Uani 1 1 d . . . . .
O7_2 O -0.0253(16) 0.2544(7) 0.7975(5) 0.055(4) Uani 1 1 d . . . . .
O8_2 O 0.1752(16) 0.2863(8) 0.8610(6) 0.064(4) Uani 1 1 d . . . . .
N1_2 N -0.1848(13) 0.3823(7) 0.7380(5) 0.031(3) Uani 1 1 d . . . . .
H1A_2 H -0.1934 0.4044 0.7053 0.038 Uiso 1 1 calc R U . . .
H1B_2 H -0.1909 0.3437 0.7274 0.038 Uiso 1 1 calc R U . . .
N2_2 N 0.1165(13) 0.3498(6) 0.7509(5) 0.029(3) Uani 1 1 d . U . . .
H2A_2 H 0.1069 0.3117 0.7613 0.035 Uiso 1 1 calc R U . . .
H2B_2 H 0.0909 0.3524 0.7117 0.035 Uiso 1 1 calc R U . . .
C1_2 C -0.2459(16) 0.4362(7) 0.8072(7) 0.029(4) Uani 1 1 d . . . . .
C2_2 C -0.2982(16) 0.3957(7) 0.7664(7) 0.028(3) Uani 1 1 d . . . . .
H2_2 H -0.3760 0.4119 0.7405 0.034 Uiso 1 1 calc R U . . .
C3_2 C -0.3515(16) 0.3476(7) 0.7922(6) 0.030(4) Uani 1 1 d . . . . .
H3A_2 H -0.2760 0.3313 0.8177 0.045 Uiso 1 1 calc R U . . .
H3B_2 H -0.3886 0.3210 0.7650 0.045 Uiso 1 1 calc R U . . .
H3C_2 H -0.4246 0.3591 0.8109 0.045 Uiso 1 1 calc R U . . .
C4_2 C 0.2695(15) 0.3984(8) 0.8200(6) 0.029(3) Uani 1 1 d . U . . .
C5_2 C 0.2614(17) 0.3682(8) 0.7689(7) 0.033(3) Uani 1 1 d . U . . .
H5_2 H 0.3249 0.3364 0.7743 0.039 Uiso 1 1 calc R U . . .
C6_2 C 0.303(2) 0.4066(9) 0.7283(7) 0.045(4) Uani 1 1 d . U . . .
H6A_2 H 0.2296 0.4330 0.7172 0.068 Uiso 1 1 calc R U . . .
H6B_2 H 0.3189 0.3860 0.6972 0.068 Uiso 1 1 calc R U . . .
H6C_2 H 0.3883 0.4254 0.7442 0.068 Uiso 1 1 calc R U . . .
Cu1_3 Cu 0.00722(18) 0.3460(3) 0.97129(7) 0.0207(4) Uani 1 1 d . . . . .
Cl1_3 Cl 0.1118(4) 0.4127(3) 1.09700(14) 0.0252(7) Uani 1 1 d . U . . .
O1_3 O -0.1110(10) 0.4076(5) 0.9455(4) 0.024(2) Uani 1 1 d . U . . .
O2_3 O -0.3314(10) 0.4349(5) 0.9288(4) 0.021(2) Uani 1 1 d . U . . .
O3_3 O 0.1623(10) 0.3822(5) 0.9513(4) 0.024(2) Uani 1 1 d . . . . .
O4_3 O 0.3872(11) 0.3702(5) 0.9476(5) 0.033(3) Uani 1 1 d . . . . .
O5_3 O 0.0572(12) 0.3666(5) 1.0658(4) 0.030(2) Uani 1 1 d . U . . .
O6_3 O 0.0347(13) 0.4607(6) 1.0764(5) 0.046(3) Uani 1 1 d . U . . .
O7_3 O 0.1043(15) 0.4017(6) 1.1515(5) 0.046(3) Uani 1 1 d . U . . .
O8_3 O 0.2528(13) 0.4211(6) 1.0922(6) 0.049(3) Uani 1 1 d . U . . .
N1_3 N -0.1677(12) 0.3092(6) 0.9774(6) 0.028(3) Uani 1 1 d . U . . .
H1A_3 H -0.1917 0.2824 0.9486 0.034 Uiso 1 1 calc R U . . .
H1B_3 H -0.1569 0.2901 1.0119 0.034 Uiso 1 1 calc R U . . .
N2_3 N 0.1355(12) 0.2840(6) 0.9910(5) 0.024(3) Uani 1 1 d . . . . .
H2A_3 H 0.1243 0.2690 1.0258 0.029 Uiso 1 1 calc R U . . .
H2B_3 H 0.1153 0.2551 0.9640 0.029 Uiso 1 1 calc R U . . .
C1_3 C -0.2420(14) 0.4007(7) 0.9468(5) 0.019(2) Uani 1 1 d . U . . .
C2_3 C -0.2807(15) 0.3506(7) 0.9737(6) 0.024(3) Uani 1 1 d . U . . .
H2_3 H -0.3675 0.3354 0.9523 0.029 Uiso 1 1 calc R U . . .
C3_3 C -0.3043(18) 0.3644(9) 1.0280(7) 0.042(4) Uani 1 1 d . U . . .
H3A_3 H -0.2157 0.3720 1.0513 0.064 Uiso 1 1 calc R U . . .
H3B_3 H -0.3489 0.3338 1.0424 0.064 Uiso 1 1 calc R U . . .
H3C_3 H -0.3639 0.3962 1.0261 0.064 Uiso 1 1 calc R U . . .
C4_3 C 0.2791(14) 0.3562(6) 0.9620(6) 0.020(3) Uani 1 1 d . . . . .
C5_3 C 0.2788(15) 0.3041(7) 0.9940(8) 0.032(4) Uani 1 1 d . . . . .
H5_3 H 0.3135 0.3140 1.0320 0.038 Uiso 1 1 calc R U . . .
C6_3 C 0.3787(17) 0.2622(8) 0.9796(8) 0.040(4) Uani 1 1 d . . . . .
H6A_3 H 0.3632 0.2275 0.9960 0.060 Uiso 1 1 calc R U . . .
H6B_3 H 0.4736 0.2741 0.9926 0.060 Uiso 1 1 calc R U . . .
H6C_3 H 0.3634 0.2580 0.9408 0.060 Uiso 1 1 calc R U . . .
Cu1_4 Cu 0.13706(18) 0.5408(3) 1.03312(7) 0.0192(4) Uani 1 1 d . . . . .
Cl1_4 Cl 0.1497(4) 0.6719(3) 0.97240(16) 0.0299(8) Uani 1 1 d . U . . .
O1_4 O -0.0260(11) 0.5309(5) 0.9794(4) 0.022(2) Uani 1 1 d . . . . .
O2_4 O -0.2560(11) 0.5373(5) 0.9650(4) 0.027(2) Uani 1 1 d . . . . .
O3_4 O 0.2422(10) 0.4995(5) 0.9896(4) 0.021(2) Uani 1 1 d . . . . .
O4_4 O 0.4550(10) 0.4733(5) 0.9862(4) 0.024(2) Uani 1 1 d . . . . .
O5_4 O 0.2241(14) 0.6241(6) 0.9941(6) 0.049(3) Uani 1 1 d . U . . .
O6_4 O 0.0723(17) 0.6542(7) 0.9208(6) 0.063(4) Uani 1 1 d . U . . .
O7_4 O 0.2446(15) 0.7134(6) 0.9631(6) 0.050(3) Uani 1 1 d . U . . .
O8_4 O 0.0663(16) 0.6898(6) 1.0081(6) 0.051(4) Uani 1 1 d . U . . .
N1_4 N 0.0139(13) 0.5849(6) 1.0699(5) 0.025(3) Uani 1 1 d . . . . .
H1A_4 H 0.0350 0.5778 1.1086 0.030 Uiso 1 1 calc R U . . .
H1B_4 H 0.0285 0.6238 1.0640 0.030 Uiso 1 1 calc R U . . .
N2_4 N 0.3088(12) 0.5424(6) 1.0864(5) 0.023(3) Uani 1 1 d . . . . .
H2A_4 H 0.3221 0.5787 1.1027 0.027 Uiso 1 1 calc R U . . .
H2B_4 H 0.3038 0.5158 1.1149 0.027 Uiso 1 1 calc R U . . .
C1_4 C -0.1382(14) 0.5437(6) 0.9928(5) 0.018(3) Uani 1 1 d . . . . .
C2_4 C -0.1323(15) 0.5699(7) 1.0478(6) 0.022(3) Uani 1 1 d . . . . .
H2_4 H -0.1615 0.5422 1.0719 0.027 Uiso 1 1 calc R U . . .
C3_4 C -0.2267(16) 0.6164(8) 1.0457(7) 0.035(4) Uani 1 1 d . . . . .
H3A_4 H -0.1732 0.6500 1.0494 0.052 Uiso 1 1 calc R U . . .
H3B_4 H -0.2786 0.6137 1.0747 0.052 Uiso 1 1 calc R U . . .
H3C_4 H -0.2911 0.6165 1.0115 0.052 Uiso 1 1 calc R U . . .
C4_4 C 0.3685(14) 0.4972(6) 1.0074(5) 0.017(3) Uani 1 1 d . . . . .
C5_4 C 0.4280(14) 0.5290(7) 1.0595(6) 0.022(3) Uani 1 1 d . . . . .
H5_4 H 0.4650 0.5639 1.0485 0.027 Uiso 1 1 calc R U . . .
C6_4 C 0.5427(15) 0.5010(8) 1.0935(6) 0.030(4) Uani 1 1 d . . . . .
H6A_4 H 0.5688 0.5206 1.1271 0.044 Uiso 1 1 calc R U . . .
H6B_4 H 0.6218 0.4994 1.0754 0.044 Uiso 1 1 calc R U . . .
H6C_4 H 0.5142 0.4642 1.1007 0.044 Uiso 1 1 calc R U . . .
Cu1_5 Cu 0.57997(18) 0.5240(3) 0.53928(8) 0.0249(4) Uani 1 1 d . . . . .
Cl1_5 Cl 0.5450(5) 0.4044(4) 0.60979(16) 0.0374(10) Uani 1 1 d . U . . .
O1_5 O 0.6601(9) 0.4939(5) 0.4812(4) 0.019(2) Uani 1 1 d . . . . .
O2_5 O 0.8558(10) 0.4795(5) 0.4541(4) 0.023(2) Uani 1 1 d . . . . .
O3_5 O 0.3962(10) 0.5061(5) 0.5032(4) 0.023(2) Uani 1 1 d . . . . .
O4_5 O 0.1723(11) 0.5093(6) 0.5108(4) 0.028(3) Uani 1 1 d . . . . .
O5_5 O 0.5889(14) 0.4018(8) 0.5607(5) 0.060(4) Uani 1 1 d . U . . .
O6_5 O 0.626(2) 0.4446(9) 0.6426(7) 0.088(5) Uani 1 1 d . U . . .
O7_5 O 0.5722(18) 0.3591(8) 0.6424(7) 0.084(5) Uani 1 1 d . U . . .
O8_5 O 0.4018(14) 0.4124(8) 0.6030(5) 0.058(4) Uani 1 1 d . U . . .
N1_5 N 0.7728(14) 0.5321(7) 0.5778(7) 0.039(4) Uani 1 1 d . . . . .
H1A_5 H 0.7965 0.5708 0.5823 0.046 Uiso 1 1 calc R U . . .
H1B_5 H 0.7829 0.5155 0.6135 0.046 Uiso 1 1 calc R U . . .
N2_5 N 0.4860(16) 0.5634(8) 0.5894(6) 0.049(4) Uani 1 1 d . . . . .
H2A_5 H 0.5331 0.5551 0.6261 0.059 Uiso 1 1 calc R U . . .
H2B_5 H 0.4953 0.6027 0.5836 0.059 Uiso 1 1 calc R U . . .
C1_5 C 0.7911(14) 0.4939(7) 0.4890(6) 0.022(3) Uani 1 1 d . . . . .
C2_5 C 0.8695(15) 0.5044(8) 0.5462(6) 0.030(4) Uani 1 1 d . . . . .
H2_5 H 0.9482 0.5294 0.5443 0.036 Uiso 1 1 calc R U . . .
C3_5 C 0.9248(17) 0.4541(9) 0.5707(7) 0.037(4) Uani 1 1 d . . . . .
H3A_5 H 0.9816 0.4618 0.6056 0.056 Uiso 1 1 calc R U . . .
H3B_5 H 0.9813 0.4365 0.5480 0.056 Uiso 1 1 calc R U . . .
H3C_5 H 0.8486 0.4302 0.5751 0.056 Uiso 1 1 calc R U . . .
C4_5 C 0.2985(15) 0.5199(8) 0.5279(6) 0.027(3) Uani 1 1 d . . . . .
C5_5 C 0.3369(19) 0.5501(8) 0.5840(6) 0.036(4) Uani 1 1 d . . . . .
H5_5 H 0.3277 0.5233 0.6124 0.043 Uiso 1 1 calc R U . . .
C6_5 C 0.2437(17) 0.5923(9) 0.5871(7) 0.043(5) Uani 1 1 d . . . . .
H6A_5 H 0.2574 0.6059 0.6236 0.064 Uiso 1 1 calc R U . . .
H6B_5 H 0.1491 0.5789 0.5766 0.064 Uiso 1 1 calc R U . . .
H6C_5 H 0.2595 0.6216 0.5631 0.064 Uiso 1 1 calc R U . . .
Cu1_6 Cu 0.47419(18) 0.3365(3) 0.48694(7) 0.0225(4) Uani 1 1 d . . . . .
Cl1_6 Cl 0.3821(4) 0.2658(3) 0.36130(16) 0.0291(8) Uani 1 1 d . . . . .
O1_6 O 0.5832(10) 0.3781(5) 0.4449(4) 0.020(2) Uani 1 1 d . U . . .
O2_6 O 0.7865(11) 0.3767(5) 0.4190(4) 0.027(2) Uani 1 1 d . U . . .
O3_6 O 0.3256(10) 0.3884(5) 0.4715(4) 0.021(2) Uani 1 1 d . . . . .
O4_6 O 0.1124(11) 0.4043(6) 0.4793(4) 0.028(2) Uani 1 1 d . . . . .
O5_6 O 0.3270(14) 0.2810(6) 0.4086(4) 0.038(3) Uani 1 1 d . . . . .
O6_6 O 0.3134(13) 0.2954(6) 0.3159(5) 0.043(3) Uani 1 1 d . . . . .
O7_6 O 0.3576(13) 0.2103(6) 0.3514(5) 0.042(3) Uani 1 1 d . . . . .
O8_6 O 0.5293(12) 0.2774(7) 0.3695(5) 0.045(3) Uani 1 1 d . . . . .
N1_6 N 0.6262(11) 0.2833(5) 0.4945(5) 0.017(2) Uani 1 1 d . U . . .
H1A_6 H 0.6478 0.2701 0.5316 0.020 Uiso 1 1 calc R U . . .
H1B_6 H 0.5980 0.2521 0.4709 0.020 Uiso 1 1 calc R U . . .
N2_6 N 0.3518(13) 0.2983(7) 0.5290(6) 0.033(3) Uani 1 1 d . . . . .
H2A_6 H 0.3548 0.2589 0.5231 0.040 Uiso 1 1 calc R U . . .
H2B_6 H 0.3824 0.3056 0.5674 0.040 Uiso 1 1 calc R U . . .
C1_6 C 0.7005(15) 0.3589(7) 0.4430(6) 0.022(3) Uani 1 1 d . U . . .
C2_6 C 0.7502(15) 0.3094(7) 0.4803(6) 0.021(2) Uani 1 1 d . U . . .
H2_6 H 0.8092 0.3233 0.5136 0.026 Uiso 1 1 calc R U . . .
C3_6 C 0.8348(16) 0.2697(7) 0.4544(7) 0.031(4) Uani 1 1 d . U . . .
H3A_6 H 0.8915 0.2477 0.4820 0.047 Uiso 1 1 calc R U . . .
H3B_6 H 0.8946 0.2896 0.4346 0.047 Uiso 1 1 calc R U . . .
H3C_6 H 0.7728 0.2462 0.4300 0.047 Uiso 1 1 calc R U . . .
C4_6 C 0.2186(15) 0.3766(7) 0.4865(6) 0.022(3) Uani 1 1 d . . . . .
C5_6 C 0.2059(15) 0.3195(7) 0.5102(6) 0.024(3) Uani 1 1 d . . . . .
H5_6 H 0.1538 0.2950 0.4824 0.029 Uiso 1 1 calc R U . . .
C6_6 C 0.1327(17) 0.3223(9) 0.5593(7) 0.041(5) Uani 1 1 d . . . . .
H6A_6 H 0.1429 0.2877 0.5780 0.061 Uiso 1 1 calc R U . . .
H6B_6 H 0.0345 0.3302 0.5472 0.061 Uiso 1 1 calc R U . . .
H6C_6 H 0.1747 0.3510 0.5834 0.061 Uiso 1 1 calc R U . . .
Cu1_7 Cu 0.28004(17) 0.3942(3) 0.29362(7) 0.0189(4) Uani 1 1 d . . . . .
Cl1_7 Cl 0.2705(5) 0.5266(3) 0.22503(16) 0.0354(9) Uani 1 1 d . U . . .
O1_7 O 0.4637(10) 0.4157(5) 0.3275(4) 0.020(2) Uani 1 1 d . . . . .
O2_7 O 0.6843(9) 0.4161(5) 0.3181(4) 0.022(2) Uani 1 1 d . . . . .
O3_7 O 0.2012(10) 0.4193(5) 0.3537(4) 0.024(2) Uani 1 1 d . . . . .
O4_7 O 0.0046(10) 0.4407(5) 0.3779(4) 0.018(2) Uani 1 1 d . . . . .
O5_7 O 0.2023(14) 0.4913(6) 0.2575(5) 0.042(3) Uani 1 1 d . U . . .
O6_7 O 0.3392(16) 0.5690(6) 0.2574(5) 0.046(3) Uani 1 1 d . U . . .
O7_7 O 0.1700(18) 0.5512(8) 0.1828(6) 0.068(4) Uani 1 1 d . U . . .
O8_7 O 0.3637(15) 0.4946(6) 0.2005(5) 0.049(3) Uani 1 1 d . U . . .
N1_7 N 0.0847(12) 0.3793(6) 0.2614(4) 0.018(2) Uani 1 1 d . . . . .
H1A_7 H 0.0550 0.4043 0.2313 0.022 Uiso 1 1 calc R U . . .
H1B_7 H 0.0766 0.3420 0.2474 0.022 Uiso 1 1 calc R U . . .
N2_7 N 0.3689(11) 0.3780(6) 0.2326(5) 0.017(2) Uani 1 1 d . . . . .
H2A_7 H 0.3316 0.3440 0.2153 0.020 Uiso 1 1 calc R U . . .
H2B_7 H 0.3510 0.4075 0.2061 0.020 Uiso 1 1 calc R U . . .
C1_7 C 0.5572(14) 0.4033(6) 0.3034(6) 0.020(3) Uani 1 1 d . . . . .
C2_7 C 0.5196(14) 0.3726(7) 0.2528(6) 0.023(3) Uani 1 1 d . . . . .
H2_7 H 0.5369 0.3337 0.2620 0.027 Uiso 1 1 calc R U . . .
C3_7 C 0.606(2) 0.3863(9) 0.2106(7) 0.048(5) Uani 1 1 d . . . . .
H3A_7 H 0.5867 0.4234 0.1980 0.072 Uiso 1 1 calc R U . . .
H3B_7 H 0.5835 0.3613 0.1806 0.072 Uiso 1 1 calc R U . . .
H3C_7 H 0.7046 0.3830 0.2262 0.072 Uiso 1 1 calc R U . . .
C4_7 C 0.0738(14) 0.4192(6) 0.3470(6) 0.019(3) Uani 1 1 d . . . . .
C5_7 C -0.0075(15) 0.3859(7) 0.3009(6) 0.022(3) Uani 1 1 d . . . . .
H5_7 H -0.0930 0.4058 0.2843 0.027 Uiso 1 1 calc R U . . .
C6_7 C -0.0457(18) 0.3316(8) 0.3223(7) 0.039(5) Uani 1 1 d . . . . .
H6A_7 H -0.0920 0.3092 0.2928 0.058 Uiso 1 1 calc R U . . .
H6B_7 H -0.1078 0.3374 0.3475 0.058 Uiso 1 1 calc R U . . .
H6C_7 H 0.0381 0.3133 0.3404 0.058 Uiso 1 1 calc R U . . .
Cu1_8 Cu 0.40959(18) 0.5904(3) 0.35353(8) 0.0247(4) Uani 1 1 d . . . . .
Cl1_8 Cl 0.4739(4) 0.6523(3) 0.48175(18) 0.0352(10) Uani 1 1 d . . . . .
O1_8 O 0.5502(11) 0.5339(5) 0.3633(4) 0.026(2) Uani 1 1 d . U . . .
O2_8 O 0.7681(11) 0.5200(6) 0.3549(5) 0.034(3) Uani 1 1 d . U . . .
O3_8 O 0.2893(11) 0.5443(5) 0.3843(4) 0.024(2) Uani 1 1 d . . . . .
O4_8 O 0.0849(11) 0.5448(5) 0.4100(5) 0.036(3) Uani 1 1 d . . . . .
O5_8 O 0.5576(13) 0.6060(5) 0.4753(5) 0.039(3) Uani 1 1 d . . . . .
O6_8 O 0.4987(14) 0.6938(6) 0.4452(6) 0.046(3) Uani 1 1 d . . . . .
O7_8 O 0.5134(14) 0.6716(6) 0.5358(6) 0.053(4) Uani 1 1 d . . . . .
O8_8 O 0.3327(12) 0.6375(6) 0.4724(5) 0.043(3) Uani 1 1 d . . . . .
N1_8 N 0.5461(15) 0.6346(7) 0.3274(7) 0.045(4) Uani 1 1 d . U . . .
H1A_8 H 0.5175 0.6398 0.2886 0.054 Uiso 1 1 calc R U . . .
H1B_8 H 0.5508 0.6706 0.3446 0.054 Uiso 1 1 calc R U . . .
N2_8 N 0.2638(12) 0.6457(6) 0.3486(5) 0.024(3) Uani 1 1 d . U . . .
H2A_8 H 0.2943 0.6754 0.3740 0.029 Uiso 1 1 calc R U . . .
H2B_8 H 0.2436 0.6611 0.3122 0.029 Uiso 1 1 calc R U . . .
C1_8 C 0.6642(15) 0.5522(7) 0.3517(6) 0.025(3) Uani 1 1 d . U . . .
C2_8 C 0.6867(17) 0.6086(8) 0.3390(9) 0.043(4) Uani 1 1 d . U . . .
H2_8 H 0.7310 0.6108 0.3070 0.052 Uiso 1 1 calc R U . . .
C3_8 C 0.7793(18) 0.6380(8) 0.3876(9) 0.048(4) Uani 1 1 d . U . . .
H3A_8 H 0.7221 0.6488 0.4132 0.072 Uiso 1 1 calc R U . . .
H3B_8 H 0.8214 0.6701 0.3749 0.072 Uiso 1 1 calc R U . . .
H3C_8 H 0.8519 0.6134 0.4047 0.072 Uiso 1 1 calc R U . . .
C4_8 C 0.1712(14) 0.5657(6) 0.3872(5) 0.015(3) Uiso 1 1 d . . . . .
C5_8 C 0.1355(14) 0.6190(7) 0.3615(6) 0.023(3) Uani 1 1 d . U . . .
H5_8 H 0.0908 0.6428 0.3849 0.027 Uiso 1 1 calc R U . . .
C6_8 C 0.0373(16) 0.6085(8) 0.3083(7) 0.032(4) Uani 1 1 d . U . . .
H6A_8 H 0.0867 0.5889 0.2843 0.048 Uiso 1 1 calc R U . . .
H6B_8 H 0.0038 0.6430 0.2921 0.048 Uiso 1 1 calc R U . . .
H6C_8 H -0.0411 0.5868 0.3146 0.048 Uiso 1 1 calc R U . . .
Cl1_9 Cl 0.3638(5) 0.2596(3) 0.13943(18) 0.0372(10) Uani 1 1 d . . . . .
O1_9 O 0.2846(16) 0.2739(7) 0.1798(6) 0.062(4) Uani 1 1 d . . . . .
O2_9 O 0.4712(17) 0.2228(7) 0.1599(6) 0.064(5) Uani 1 1 d . . . . .
O3_9 O 0.2667(16) 0.2340(7) 0.0991(5) 0.055(4) Uani 1 1 d . . . . .
O4_9 O 0.4162(16) 0.3067(6) 0.1199(5) 0.053(4) Uani 1 1 d . . . . .
Cl2_9 Cl 0.8914(4) 0.2754(3) 0.64633(14) 0.0223(7) Uani 1 1 d . U . . .
O5_9 O 0.8291(11) 0.2533(5) 0.5945(4) 0.028(2) Uani 1 1 d . U . . .
O6_9 O 0.9208(11) 0.3322(5) 0.6395(4) 0.025(2) Uani 1 1 d . U . . .
O7_9 O 1.0181(13) 0.2455(6) 0.6658(5) 0.044(3) Uani 1 1 d . U . . .
O8_9 O 0.7955(13) 0.2695(6) 0.6824(5) 0.037(3) Uani 1 1 d . U . . .
O9_9 O 1.0064(5) 0.2731(5) 0.1921(3) 0.112(2) Uiso 1 1 d D U . . .
H9_9 H 1.0895 0.2734 0.1889 0.134 Uiso 1 1 d R U . . .
C9_9 C 0.8848(5) 0.2874(6) 0.1531(3) 0.112(2) Uiso 1 1 d D U . . .
H9A_9 H 0.8446 0.3208 0.1641 0.168 Uiso 1 1 d R U . . .
H9B_9 H 0.8168 0.2582 0.1503 0.168 Uiso 1 1 d R U . . .
H9C_9 H 0.9112 0.2930 0.1184 0.168 Uiso 1 1 d R U . . .
O10_9 O 0.284(2) 0.6929(10) 0.2358(9) 0.112(2) Uiso 1 1 d . U . . .
H10A_9 H 0.3478 0.7090 0.2543 0.134 Uiso 1 1 d R U . . .
H10B_9 H 0.2104 0.7075 0.2204 0.134 Uiso 1 1 d R U . . .
O11_9 O 0.8205(8) 0.6485(4) 0.59555(16) 0.112(2) Uiso 1 1 d D U . . .
H11A_9 H 0.7689 0.6670 0.6112 0.134 Uiso 1 1 d R U . . .
C11_9 C 0.8636(8) 0.6678(4) 0.54752(16) 0.112(2) Uiso 1 1 d D U . . .
H11B_9 H 0.7853 0.6847 0.5241 0.168 Uiso 1 1 d R U . . .
H11C_9 H 0.8968 0.6372 0.5291 0.168 Uiso 1 1 d R U . . .
H11D_9 H 0.9380 0.6942 0.5570 0.168 Uiso 1 1 d R U . . .
O12A_9 O 0.4564(6) 0.2557(7) 0.63920(16) 0.112(2) Uiso 0.54(3) 1 d D U P B 1
H12A_9 H 0.5420 0.2543 0.6501 0.168 Uiso 0.54(3) 1 d R U P B 1
C12A_9 C 0.3895(4) 0.2670(4) 0.68406(16) 0.112(2) Uiso 0.54(3) 1 d D U P B 1
H12C_9 H 0.3939 0.3058 0.6916 0.168 Uiso 0.54(3) 1 d R U P B 1
H12D_9 H 0.4358 0.2472 0.7155 0.168 Uiso 0.54(3) 1 d R U P B 1
H12E_9 H 0.2929 0.2556 0.6750 0.168 Uiso 0.54(3) 1 d R U P B 1
O12B_9 O 0.5318(4) 0.2485(4) 0.6949(19) 0.112(2) Uiso 0.46(3) 1 d D U P B 2
H12B_9 H 0.5830 0.2753 0.6934 0.168 Uiso 0.46(3) 1 d R U P B 2
C12B_9 C 0.3895(4) 0.2670(4) 0.68406(16) 0.112(2) Uiso 0.46(3) 1 d D U P B 2
H12F_9 H 0.3794 0.2985 0.7052 0.168 Uiso 0.46(3) 1 d R U P B 2
H12G_9 H 0.3313 0.2370 0.6956 0.168 Uiso 0.46(3) 1 d R U P B 2
H12H_9 H 0.3590 0.2730 0.6468 0.168 Uiso 0.46(3) 1 d R U P B 2
O13_9 O 0.389(2) 0.64559(15) 0.1426(3) 0.112(2) Uiso 1 1 d D U . . .
H13B_9 H 0.3342 0.6474 0.1638 0.134 Uiso 1 1 d R U . . .
C13_9 C 0.388(3) 0.69609(15) 0.1135(3) 0.112(2) Uiso 1 1 d D U . . .
H13A_9 H 0.2931 0.7090 0.1042 0.168 Uiso 1 1 d R U . . .
H13C_9 H 0.4253 0.6902 0.0810 0.168 Uiso 1 1 d R U . . .
H13D_9 H 0.4447 0.7231 0.1357 0.168 Uiso 1 1 d R U . . .
O14_9 O 0.6960(10) 0.15655(15) 0.2652(3) 0.112(2) Uiso 1 1 d D U . . .
H14_9 H 0.7772 0.1555 0.2797 0.168 Uiso 1 1 d R U . . .
C14_9 C 0.6568(11) 0.20668(15) 0.2879(3) 0.112(2) Uiso 1 1 d D U . . .
H14A_9 H 0.6067 0.1990 0.3167 0.168 Uiso 1 1 d R U . . .
H14B_9 H 0.5981 0.2280 0.2603 0.168 Uiso 1 1 d R U . . .
H14C_9 H 0.7407 0.2271 0.3021 0.168 Uiso 1 1 d R U . . .
O15_9 O 0.4849(19) 0.56241(19) 0.7063(2) 0.112(2) Uiso 1 1 d D U . . .
H15_9 H 0.5187 0.5914 0.7201 0.168 Uiso 1 1 d R U . . .
C15_9 C 0.488(2) 0.5217(2) 0.7475(2) 0.112(2) Uiso 1 1 d D U . . .
H15A_9 H 0.5447 0.5351 0.7806 0.168 Uiso 1 1 d R U . . .
H15B_9 H 0.5311 0.4892 0.7359 0.168 Uiso 1 1 d R U . . .
H15C_9 H 0.3957 0.5130 0.7536 0.168 Uiso 1 1 d R U . . .
O16_9 O 0.015(2) 0.1959(10) 0.3194(9) 0.112(2) Uiso 1 1 d . U . . .
H16A_9 H -0.0070 0.1633 0.3134 0.134 Uiso 1 1 d R U . . .
H16B_9 H 0.0273 0.1988 0.3526 0.134 Uiso 1 1 d R U . . .
O17_9 O 0.845(2) 0.5164(10) 0.2100(8) 0.112(2) Uiso 1 1 d . U . . .
H17A_9 H 0.8531 0.5465 0.1957 0.134 Uiso 1 1 d R U . . .
H17B_9 H 0.7804 0.5207 0.2268 0.134 Uiso 1 1 d R U . . .
O18_9 O 0.6513(6) 0.63291(16) 0.2076(7) 0.112(2) Uiso 1 1 d D U . . .
H18B_9 H 0.5679 0.6403 0.1963 0.134 Uiso 1 1 d R U . . .
C18_9 C 0.7334(7) 0.68152(16) 0.2066(9) 0.112(2) Uiso 1 1 d D U . . .
H18A_9 H 0.7542 0.6865 0.1709 0.168 Uiso 1 1 d R U . . .
H18C_9 H 0.8197 0.6778 0.2324 0.168 Uiso 1 1 d R U . . .
H18D_9 H 0.6821 0.7129 0.2158 0.168 Uiso 1 1 d R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 O3_4 2.569(10) . ?
Ag1 O1_1 2.569(10) . ?
Ag1 O3_3 2.577(11) . ?
Ag1 O1_2 2.582(10) . ?
Ag2 O3_8 2.535(11) . ?
Ag2 O1_6 2.572(10) . ?
Ag2 O3_5 2.576(9) . ?
Ag2 O1_7 2.599(10) . ?
Cu2 O2_1 1.912(11) . ?
Cu2 O2_2 1.925(11) . ?
Cu2 O2_4 1.951(10) . ?
Cu2 O2_3 1.953(10) . ?
Cu3 O4_4 1.932(10) . ?
Cu3 O4_1 1.940(10) . ?
Cu3 O4_3 1.941(11) . ?
Cu3 O4_2 1.956(11) . ?
Cu4 O2_8 1.942(12) . ?
Cu4 O2_7 1.944(10) . ?
Cu4 O2_5 1.960(11) . ?
Cu4 O2_6 1.963(11) . ?
Cu4 O4_7 2.409(9) 1_655 ?
Cu5 O4_5 1.906(10) . ?
Cu5 O4_6 1.944(11) . ?
Cu5 O4_8 1.947(12) . ?
Cu5 O4_7 1.983(9) . ?
Cu1_1 O1_1 1.939(10) . ?
Cu1_1 O3_1 1.950(10) . ?
Cu1_1 N2_1 1.975(13) . ?
Cu1_1 N1_1 2.005(14) . ?
Cl1_1 O8B_1 1.38(3) . ?
Cl1_1 O5_1 1.408(14) . ?
Cl1_1 O6_1 1.423(17) . ?
Cl1_1 O7A_1 1.43(3) . ?
Cl1_1 O7B_1 1.53(3) . ?
Cl1_1 O8A_1 1.68(3) . ?
O1_1 C1_1 1.281(18) . ?
O2_1 C1_1 1.304(18) . ?
O3_1 C4_1 1.233(17) . ?
O4_1 C4_1 1.249(17) . ?
N1_1 C2_1 1.50(2) . ?
N2_1 C5_1 1.506(19) . ?
C1_1 C2_1 1.52(2) . ?
C2_1 C3_1 1.53(3) . ?
C4_1 C5_1 1.55(2) . ?
C5_1 C6_1 1.52(2) . ?
Cu1_2 O3_2 1.920(11) . ?
Cu1_2 O1_2 1.930(10) . ?
Cu1_2 N1_2 1.970(13) . ?
Cu1_2 N2_2 1.976(12) . ?
Cl1_2 O6_2 1.403(16) . ?
Cl1_2 O5_2 1.442(14) . ?
Cl1_2 O7_2 1.452(14) . ?
Cl1_2 O8_2 1.493(17) . ?
O1_2 C1_2 1.328(18) . ?
O2_2 C1_2 1.252(17) . ?
O3_2 C4_2 1.262(18) . ?
O4_2 C4_2 1.266(18) . ?
N1_2 C2_2 1.482(18) . ?
N2_2 C5_2 1.49(2) . ?
C1_2 C2_2 1.47(2) . ?
C2_2 C3_2 1.50(2) . ?
C4_2 C5_2 1.50(2) . ?
C5_2 C6_2 1.52(2) . ?
Cu1_3 O3_3 1.925(10) . ?
Cu1_3 O1_3 1.959(10) . ?
Cu1_3 N1_3 1.984(13) . ?
Cu1_3 N2_3 1.995(13) . ?
Cu1_3 O5_3 2.431(11) . ?
Cl1_3 O8_3 1.435(13) . ?
Cl1_3 O7_3 1.435(12) . ?
Cl1_3 O5_3 1.439(11) . ?
Cl1_3 O6_3 1.456(12) . ?
O1_3 C1_3 1.311(16) . ?
O2_3 C1_3 1.247(17) . ?
O3_3 C4_3 1.305(17) . ?
O4_3 C4_3 1.242(17) . ?
N1_3 C2_3 1.504(18) . ?
N2_3 C5_3 1.488(18) . ?
C1_3 C2_3 1.50(2) . ?
C2_3 C3_3 1.49(2) . ?
C4_3 C5_3 1.53(2) . ?
C5_3 C6_3 1.52(2) . ?
Cu1_4 O1_4 1.927(10) . ?
Cu1_4 O3_4 1.947(10) . ?
Cu1_4 N2_4 1.968(12) . ?
Cu1_4 N1_4 1.997(12) . ?
Cl1_4 O8_4 1.410(12) . ?
Cl1_4 O7_4 1.441(13) . ?
Cl1_4 O5_4 1.448(13) . ?
Cl1_4 O6_4 1.464(14) . ?
O1_4 C1_4 1.260(17) . ?
O2_4 C1_4 1.255(17) . ?
O3_4 C4_4 1.247(16) . ?
O4_4 C4_4 1.244(16) . ?
N1_4 C2_4 1.495(19) . ?
N2_4 C5_4 1.508(18) . ?
C1_4 C2_4 1.542(19) . ?
C2_4 C3_4 1.48(2) . ?
C4_4 C5_4 1.565(19) . ?
C5_4 C6_4 1.47(2) . ?
Cu1_5 O3_5 1.928(10) . ?
Cu1_5 O1_5 1.958(9) . ?
Cu1_5 N2_5 1.974(16) . ?
Cu1_5 N1_5 1.983(15) . ?
Cl1_5 O7_5 1.394(16) . ?
Cl1_5 O8_5 1.406(14) . ?
Cl1_5 O5_5 1.407(13) . ?
Cl1_5 O6_5 1.444(18) . ?
O1_5 C1_5 1.271(16) . ?
O2_5 C1_5 1.245(16) . ?
O3_5 C4_5 1.293(17) . ?
O4_5 C4_5 1.269(17) . ?
N1_5 C2_5 1.524(19) . ?
N2_5 C5_5 1.49(2) . ?
C1_5 C2_5 1.54(2) . ?
C2_5 C3_5 1.46(2) . ?
C4_5 C5_5 1.60(2) . ?
C5_5 C6_5 1.41(3) . ?
Cu1_6 O3_6 1.935(10) . ?
Cu1_6 O1_6 1.954(9) . ?
Cu1_6 N1_6 1.978(11) . ?
Cu1_6 N2_6 2.000(12) . ?
Cl1_6 O7_6 1.410(13) . ?
Cl1_6 O6_6 1.434(12) . ?
Cl1_6 O8_6 1.458(12) . ?
Cl1_6 O5_6 1.466(12) . ?
O1_6 C1_6 1.261(17) . ?
O2_6 C1_6 1.220(17) . ?
O3_6 C4_6 1.225(18) . ?
O4_6 C4_6 1.238(17) . ?
N1_6 C2_6 1.489(17) . ?
N2_6 C5_6 1.524(18) . ?
C1_6 C2_6 1.58(2) . ?
C2_6 C3_6 1.52(2) . ?
C4_6 C5_6 1.55(2) . ?
C5_6 C6_6 1.56(2) . ?
Cu1_7 O1_7 1.933(10) . ?
Cu1_7 O3_7 1.950(10) . ?
Cu1_7 N2_7 1.970(11) . ?
Cu1_7 N1_7 1.985(11) . ?
Cl1_7 O6_7 1.428(13) . ?
Cl1_7 O8_7 1.444(13) . ?
Cl1_7 O5_7 1.456(12) . ?
Cl1_7 O7_7 1.458(15) . ?
O1_7 C1_7 1.242(16) . ?
O2_7 C1_7 1.281(16) . ?
O3_7 C4_7 1.237(16) . ?
O4_7 C4_7 1.256(15) . ?
O4_7 Cu4 2.409(9) 1_455 ?
N1_7 C5_7 1.490(16) . ?
N2_7 C2_7 1.486(17) . ?
C1_7 C2_7 1.49(2) . ?
C2_7 C3_7 1.54(2) . ?
C4_7 C5_7 1.54(2) . ?
C5_7 C6_7 1.53(2) . ?
Cu1_8 O3_8 1.920(10) . ?
Cu1_8 N1_8 1.949(15) . ?
Cu1_8 O1_8 1.954(10) . ?
Cu1_8 N2_8 1.974(12) . ?
Cl1_8 O8_8 1.417(13) . ?
Cl1_8 O5_8 1.441(11) . ?
Cl1_8 O6_8 1.441(14) . ?
Cl1_8 O7_8 1.448(13) . ?
O1_8 C1_8 1.297(18) . ?
O2_8 C1_8 1.290(18) . ?
O3_8 C4_8 1.295(16) . ?
O4_8 C4_8 1.233(16) . ?
N1_8 C2_8 1.51(2) . ?
N2_8 C5_8 1.519(18) . ?
C1_8 C2_8 1.46(2) . ?
C2_8 C3_8 1.58(3) . ?
C4_8 C5_8 1.49(2) . ?
C5_8 C6_8 1.54(2) . ?
Cl1_9 O4_9 1.406(14) . ?
Cl1_9 O3_9 1.420(14) . ?
Cl1_9 O2_9 1.422(14) . ?
Cl1_9 O1_9 1.452(14) . ?
Cl2_9 O8_9 1.447(11) . ?
Cl2_9 O6_9 1.453(11) . ?
Cl2_9 O7_9 1.458(13) . ?
Cl2_9 O5_9 1.461(11) . ?
O9_9 C9_9 1.454(3) . ?
O11_9 C11_9 1.454(3) . ?
O12A_9 C12A_9 1.454(3) . ?
O13_9 C13_9 1.454(3) . ?
O14_9 C14_9 1.454(3) . ?
O15_9 C15_9 1.454(3) . ?
O18_9 C18_9 1.454(3) . ?

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
O3_4 Ag1 O1_1 107.6(3) . . ?
O3_4 Ag1 O3_3 74.6(3) . . ?
O1_1 Ag1 O3_3 177.7(3) . . ?
O3_4 Ag1 O1_2 177.3(3) . . ?
O1_1 Ag1 O1_2 75.0(3) . . ?
O3_3 Ag1 O1_2 102.8(3) . . ?
O3_8 Ag2 O1_6 176.6(3) . . ?
O3_8 Ag2 O3_5 76.7(3) . . ?
O1_6 Ag2 O3_5 105.1(3) . . ?
O3_8 Ag2 O1_7 103.0(3) . . ?
O1_6 Ag2 O1_7 75.2(3) . . ?
O3_5 Ag2 O1_7 179.7(4) . . ?
O2_1 Cu2 O2_2 91.5(5) . . ?
O2_1 Cu2 O2_4 92.3(5) . . ?
O2_2 Cu2 O2_4 175.5(5) . . ?
O2_1 Cu2 O2_3 174.2(4) . . ?
O2_2 Cu2 O2_3 86.2(4) . . ?
O2_4 Cu2 O2_3 89.8(5) . . ?
O4_4 Cu3 O4_1 87.3(5) . . ?
O4_4 Cu3 O4_3 91.5(5) . . ?
O4_1 Cu3 O4_3 175.5(5) . . ?
O4_4 Cu3 O4_2 176.3(4) . . ?
O4_1 Cu3 O4_2 91.7(5) . . ?
O4_3 Cu3 O4_2 89.3(5) . . ?
O2_8 Cu4 O2_7 92.6(5) . . ?
O2_8 Cu4 O2_5 88.2(5) . . ?
O2_7 Cu4 O2_5 177.6(4) . . ?
O2_8 Cu4 O2_6 173.6(5) . . ?
O2_7 Cu4 O2_6 90.2(5) . . ?
O2_5 Cu4 O2_6 88.7(5) . . ?
O2_8 Cu4 O4_7 87.4(4) . 1_655 ?
O2_7 Cu4 O4_7 98.1(4) . 1_655 ?
O2_5 Cu4 O4_7 79.7(3) . 1_655 ?
O2_6 Cu4 O4_7 86.6(4) . 1_655 ?
O4_5 Cu5 O4_6 91.3(5) . . ?
O4_5 Cu5 O4_8 89.3(5) . . ?
O4_6 Cu5 O4_8 179.3(5) . . ?
O4_5 Cu5 O4_7 174.1(4) . . ?
O4_6 Cu5 O4_7 89.5(4) . . ?
O4_8 Cu5 O4_7 89.9(5) . . ?
O1_1 Cu1_1 O3_1 91.4(4) . . ?
O1_1 Cu1_1 N2_1 171.6(5) . . ?
O3_1 Cu1_1 N2_1 84.7(5) . . ?
O1_1 Cu1_1 N1_1 85.8(5) . . ?
O3_1 Cu1_1 N1_1 169.2(6) . . ?
N2_1 Cu1_1 N1_1 99.4(6) . . ?
O8B_1 Cl1_1 O5_1 110.6(15) . . ?
O8B_1 Cl1_1 O6_1 117.2(16) . . ?
O5_1 Cl1_1 O6_1 112.5(11) . . ?
O5_1 Cl1_1 O7A_1 115.5(16) . . ?
O6_1 Cl1_1 O7A_1 116.0(16) . . ?
O8B_1 Cl1_1 O7B_1 111.2(18) . . ?
O5_1 Cl1_1 O7B_1 98.3(14) . . ?
O6_1 Cl1_1 O7B_1 105.3(14) . . ?
O5_1 Cl1_1 O8A_1 102.3(13) . . ?
O6_1 Cl1_1 O8A_1 97.3(14) . . ?
O7A_1 Cl1_1 O8A_1 110.7(19) . . ?
C1_1 O1_1 Cu1_1 112.5(9) . . ?
C1_1 O1_1 Ag1 143.0(9) . . ?
Cu1_1 O1_1 Ag1 104.0(4) . . ?
C1_1 O2_1 Cu2 126.2(10) . . ?
C4_1 O3_1 Cu1_1 116.7(9) . . ?
C4_1 O4_1 Cu3 120.7(9) . . ?
C2_1 N1_1 Cu1_1 107.8(10) . . ?
C5_1 N2_1 Cu1_1 110.4(10) . . ?
O1_1 C1_1 O2_1 120.8(14) . . ?
O1_1 C1_1 C2_1 120.8(13) . . ?
O2_1 C1_1 C2_1 118.3(13) . . ?
N1_1 C2_1 C1_1 108.8(13) . . ?
N1_1 C2_1 C3_1 112.7(14) . . ?
C1_1 C2_1 C3_1 113.5(14) . . ?
O3_1 C4_1 O4_1 124.2(14) . . ?
O3_1 C4_1 C5_1 117.5(13) . . ?
O4_1 C4_1 C5_1 118.3(12) . . ?
N2_1 C5_1 C6_1 113.8(13) . . ?
N2_1 C5_1 C4_1 108.7(12) . . ?
C6_1 C5_1 C4_1 107.7(13) . . ?
O3_2 Cu1_2 O1_2 89.5(4) . . ?
O3_2 Cu1_2 N1_2 174.4(5) . . ?
O1_2 Cu1_2 N1_2 85.0(5) . . ?
O3_2 Cu1_2 N2_2 84.9(5) . . ?
O1_2 Cu1_2 N2_2 172.4(5) . . ?
N1_2 Cu1_2 N2_2 100.7(5) . . ?
O6_2 Cl1_2 O5_2 114.3(10) . . ?
O6_2 Cl1_2 O7_2 110.7(9) . . ?
O5_2 Cl1_2 O7_2 108.6(9) . . ?
O6_2 Cl1_2 O8_2 105.3(10) . . ?
O5_2 Cl1_2 O8_2 105.6(10) . . ?
O7_2 Cl1_2 O8_2 112.3(9) . . ?
C1_2 O1_2 Cu1_2 112.6(9) . . ?
C1_2 O1_2 Ag1 141.9(9) . . ?
Cu1_2 O1_2 Ag1 105.0(4) . . ?
C1_2 O2_2 Cu2 128.5(11) . . ?
C4_2 O3_2 Cu1_2 114.4(10) . . ?
C4_2 O4_2 Cu3 120.5(10) . . ?
C2_2 N1_2 Cu1_2 109.8(10) . . ?
C5_2 N2_2 Cu1_2 108.4(10) . . ?
O2_2 C1_2 O1_2 119.3(15) . . ?
O2_2 C1_2 C2_2 121.2(14) . . ?
O1_2 C1_2 C2_2 118.8(13) . . ?
C1_2 C2_2 N1_2 107.7(13) . . ?
C1_2 C2_2 C3_2 109.4(14) . . ?
N1_2 C2_2 C3_2 113.4(14) . . ?
O3_2 C4_2 O4_2 124.8(15) . . ?
O3_2 C4_2 C5_2 119.4(14) . . ?
O4_2 C4_2 C5_2 115.8(14) . . ?
N2_2 C5_2 C4_2 108.3(13) . . ?
N2_2 C5_2 C6_2 110.3(15) . . ?
C4_2 C5_2 C6_2 107.9(15) . . ?
O3_3 Cu1_3 O1_3 90.0(4) . . ?
O3_3 Cu1_3 N1_3 169.2(5) . . ?
O1_3 Cu1_3 N1_3 84.9(5) . . ?
O3_3 Cu1_3 N2_3 85.8(5) . . ?
O1_3 Cu1_3 N2_3 174.3(5) . . ?
N1_3 Cu1_3 N2_3 98.5(5) . . ?
O3_3 Cu1_3 O5_3 98.3(4) . . ?
O1_3 Cu1_3 O5_3 99.8(4) . . ?
N1_3 Cu1_3 O5_3 92.0(5) . . ?
N2_3 Cu1_3 O5_3 84.7(5) . . ?
O8_3 Cl1_3 O7_3 109.7(9) . . ?
O8_3 Cl1_3 O5_3 109.6(7) . . ?
O7_3 Cl1_3 O5_3 107.8(7) . . ?
O8_3 Cl1_3 O6_3 107.5(8) . . ?
O7_3 Cl1_3 O6_3 112.8(8) . . ?
O5_3 Cl1_3 O6_3 109.3(7) . . ?
C1_3 O1_3 Cu1_3 114.7(9) . . ?
C1_3 O2_3 Cu2 122.3(9) . . ?
C4_3 O3_3 Cu1_3 115.4(9) . . ?
C4_3 O3_3 Ag1 139.0(9) . . ?
Cu1_3 O3_3 Ag1 105.6(4) . . ?
C4_3 O4_3 Cu3 124.7(10) . . ?
Cl1_3 O5_3 Cu1_3 134.7(7) . . ?
C2_3 N1_3 Cu1_3 109.1(9) . . ?
C5_3 N2_3 Cu1_3 107.9(9) . . ?
O2_3 C1_3 O1_3 122.4(13) . . ?
O2_3 C1_3 C2_3 120.4(13) . . ?
O1_3 C1_3 C2_3 117.1(12) . . ?
C3_3 C2_3 C1_3 109.6(14) . . ?
C3_3 C2_3 N1_3 109.8(13) . . ?
C1_3 C2_3 N1_3 110.1(11) . . ?
O4_3 C4_3 O3_3 125.0(14) . . ?
O4_3 C4_3 C5_3 118.9(13) . . ?
O3_3 C4_3 C5_3 116.1(12) . . ?
N2_3 C5_3 C6_3 114.2(13) . . ?
N2_3 C5_3 C4_3 110.7(12) . . ?
C6_3 C5_3 C4_3 112.2(15) . . ?
O1_4 Cu1_4 O3_4 89.3(4) . . ?
O1_4 Cu1_4 N2_4 173.6(5) . . ?
O3_4 Cu1_4 N2_4 85.7(5) . . ?
O1_4 Cu1_4 N1_4 84.5(5) . . ?
O3_4 Cu1_4 N1_4 173.3(5) . . ?
N2_4 Cu1_4 N1_4 100.6(5) . . ?
O8_4 Cl1_4 O7_4 111.0(8) . . ?
O8_4 Cl1_4 O5_4 108.9(8) . . ?
O7_4 Cl1_4 O5_4 110.4(9) . . ?
O8_4 Cl1_4 O6_4 114.1(10) . . ?
O7_4 Cl1_4 O6_4 108.1(9) . . ?
O5_4 Cl1_4 O6_4 104.1(9) . . ?
C1_4 O1_4 Cu1_4 115.6(9) . . ?
C1_4 O2_4 Cu2 122.8(10) . . ?
C4_4 O3_4 Cu1_4 114.8(9) . . ?
C4_4 O3_4 Ag1 139.9(9) . . ?
Cu1_4 O3_4 Ag1 105.1(4) . . ?
C4_4 O4_4 Cu3 124.8(9) . . ?
C2_4 N1_4 Cu1_4 108.4(9) . . ?
C5_4 N2_4 Cu1_4 108.9(8) . . ?
O2_4 C1_4 O1_4 125.6(13) . . ?
O2_4 C1_4 C2_4 116.3(12) . . ?
O1_4 C1_4 C2_4 118.0(12) . . ?
C3_4 C2_4 N1_4 112.2(13) . . ?
C3_4 C2_4 C1_4 112.3(13) . . ?
N1_4 C2_4 C1_4 108.6(11) . . ?
O4_4 C4_4 O3_4 125.8(13) . . ?
O4_4 C4_4 C5_4 115.6(12) . . ?
O3_4 C4_4 C5_4 118.5(12) . . ?
C6_4 C5_4 N2_4 114.5(12) . . ?
C6_4 C5_4 C4_4 113.2(13) . . ?
N2_4 C5_4 C4_4 107.5(11) . . ?
O3_5 Cu1_5 O1_5 91.5(4) . . ?
O3_5 Cu1_5 N2_5 84.9(5) . . ?
O1_5 Cu1_5 N2_5 170.7(6) . . ?
O3_5 Cu1_5 N1_5 172.4(6) . . ?
O1_5 Cu1_5 N1_5 85.9(5) . . ?
N2_5 Cu1_5 N1_5 98.7(6) . . ?
O7_5 Cl1_5 O8_5 105.3(10) . . ?
O7_5 Cl1_5 O5_5 116.1(12) . . ?
O8_5 Cl1_5 O5_5 111.6(8) . . ?
O7_5 Cl1_5 O6_5 100.5(12) . . ?
O8_5 Cl1_5 O6_5 114.3(12) . . ?
O5_5 Cl1_5 O6_5 108.7(10) . . ?
C1_5 O1_5 Cu1_5 115.1(9) . . ?
C1_5 O2_5 Cu4 123.1(9) . . ?
C4_5 O3_5 Cu1_5 115.2(9) . . ?
C4_5 O3_5 Ag2 140.1(9) . . ?
Cu1_5 O3_5 Ag2 104.7(4) . . ?
C4_5 O4_5 Cu5 125.5(9) . . ?
C2_5 N1_5 Cu1_5 109.2(11) . . ?
C5_5 N2_5 Cu1_5 114.0(11) . . ?
O2_5 C1_5 O1_5 122.0(13) . . ?
O2_5 C1_5 C2_5 119.7(12) . . ?
O1_5 C1_5 C2_5 117.7(12) . . ?
C3_5 C2_5 N1_5 112.1(13) . . ?
C3_5 C2_5 C1_5 110.2(14) . . ?
N1_5 C2_5 C1_5 109.0(12) . . ?
O4_5 C4_5 O3_5 123.4(13) . . ?
O4_5 C4_5 C5_5 117.3(12) . . ?
O3_5 C4_5 C5_5 119.3(13) . . ?
C6_5 C5_5 N2_5 118.5(17) . . ?
C6_5 C5_5 C4_5 110.5(15) . . ?
N2_5 C5_5 C4_5 104.5(12) . . ?
O3_6 Cu1_6 O1_6 90.6(4) . . ?
O3_6 Cu1_6 N1_6 173.9(5) . . ?
O1_6 Cu1_6 N1_6 85.4(4) . . ?
O3_6 Cu1_6 N2_6 85.0(5) . . ?
O1_6 Cu1_6 N2_6 175.6(5) . . ?
N1_6 Cu1_6 N2_6 99.0(5) . . ?
O7_6 Cl1_6 O6_6 108.3(8) . . ?
O7_6 Cl1_6 O8_6 110.6(8) . . ?
O6_6 Cl1_6 O8_6 108.9(8) . . ?
O7_6 Cl1_6 O5_6 108.6(8) . . ?
O6_6 Cl1_6 O5_6 110.3(8) . . ?
O8_6 Cl1_6 O5_6 110.2(7) . . ?
C1_6 O1_6 Cu1_6 115.2(9) . . ?
C1_6 O1_6 Ag2 141.7(9) . . ?
Cu1_6 O1_6 Ag2 102.9(4) . . ?
C1_6 O2_6 Cu4 121.3(10) . . ?
C4_6 O3_6 Cu1_6 116.2(10) . . ?
C4_6 O4_6 Cu5 123.2(11) . . ?
C2_6 N1_6 Cu1_6 109.3(8) . . ?
C5_6 N2_6 Cu1_6 107.3(8) . . ?
O2_6 C1_6 O1_6 127.8(15) . . ?
O2_6 C1_6 C2_6 114.8(13) . . ?
O1_6 C1_6 C2_6 117.1(12) . . ?
N1_6 C2_6 C3_6 111.7(12) . . ?
N1_6 C2_6 C1_6 108.0(11) . . ?
C3_6 C2_6 C1_6 111.9(12) . . ?
O3_6 C4_6 O4_6 125.1(15) . . ?
O3_6 C4_6 C5_6 118.6(12) . . ?
O4_6 C4_6 C5_6 115.8(13) . . ?
N2_6 C5_6 C4_6 107.2(11) . . ?
N2_6 C5_6 C6_6 108.2(12) . . ?
C4_6 C5_6 C6_6 110.9(13) . . ?
O1_7 Cu1_7 O3_7 92.1(4) . . ?
O1_7 Cu1_7 N2_7 83.9(4) . . ?
O3_7 Cu1_7 N2_7 172.8(5) . . ?
O1_7 Cu1_7 N1_7 174.0(5) . . ?
O3_7 Cu1_7 N1_7 83.5(4) . . ?
N2_7 Cu1_7 N1_7 100.1(5) . . ?
O6_7 Cl1_7 O8_7 112.6(9) . . ?
O6_7 Cl1_7 O5_7 109.2(8) . . ?
O8_7 Cl1_7 O5_7 108.7(7) . . ?
O6_7 Cl1_7 O7_7 107.8(10) . . ?
O8_7 Cl1_7 O7_7 107.9(9) . . ?
O5_7 Cl1_7 O7_7 110.6(9) . . ?
C1_7 O1_7 Cu1_7 115.4(10) . . ?
C1_7 O1_7 Ag2 140.2(10) . . ?
Cu1_7 O1_7 Ag2 104.3(4) . . ?
C1_7 O2_7 Cu4 125.8(9) . . ?
C4_7 O3_7 Cu1_7 115.8(9) . . ?
C4_7 O4_7 Cu5 120.0(9) . . ?
C4_7 O4_7 Cu4 138.0(9) . 1_455 ?
Cu5 O4_7 Cu4 101.7(4) . 1_455 ?
C5_7 N1_7 Cu1_7 111.5(8) . . ?
C2_7 N2_7 Cu1_7 107.9(9) . . ?
O1_7 C1_7 O2_7 124.8(14) . . ?
O1_7 C1_7 C2_7 118.2(13) . . ?
O2_7 C1_7 C2_7 117.0(12) . . ?
C1_7 C2_7 N2_7 109.2(11) . . ?
C1_7 C2_7 C3_7 114.7(13) . . ?
N2_7 C2_7 C3_7 112.8(14) . . ?
O3_7 C4_7 O4_7 124.8(14) . . ?
O3_7 C4_7 C5_7 118.6(12) . . ?
O4_7 C4_7 C5_7 116.3(12) . . ?
N1_7 C5_7 C6_7 111.7(12) . . ?
N1_7 C5_7 C4_7 106.4(11) . . ?
C6_7 C5_7 C4_7 109.0(12) . . ?
O3_8 Cu1_8 N1_8 174.5(6) . . ?
O3_8 Cu1_8 O1_8 90.0(4) . . ?
N1_8 Cu1_8 O1_8 85.8(5) . . ?
O3_8 Cu1_8 N2_8 86.6(5) . . ?
N1_8 Cu1_8 N2_8 97.5(5) . . ?
O1_8 Cu1_8 N2_8 175.8(5) . . ?
O8_8 Cl1_8 O5_8 110.1(8) . . ?
O8_8 Cl1_8 O6_8 110.8(8) . . ?
O5_8 Cl1_8 O6_8 108.9(8) . . ?
O8_8 Cl1_8 O7_8 109.0(9) . . ?
O5_8 Cl1_8 O7_8 108.4(8) . . ?
O6_8 Cl1_8 O7_8 109.6(8) . . ?
C1_8 O1_8 Cu1_8 110.3(9) . . ?
C1_8 O2_8 Cu4 121.4(10) . . ?
C4_8 O3_8 Cu1_8 114.3(9) . . ?
C4_8 O3_8 Ag2 139.5(9) . . ?
Cu1_8 O3_8 Ag2 105.8(4) . . ?
C4_8 O4_8 Cu5 126.3(10) . . ?
C2_8 N1_8 Cu1_8 111.2(11) . . ?
C5_8 N2_8 Cu1_8 108.1(9) . . ?
O2_8 C1_8 O1_8 118.8(14) . . ?
O2_8 C1_8 C2_8 117.0(14) . . ?
O1_8 C1_8 C2_8 124.1(14) . . ?
C1_8 C2_8 N1_8 106.2(14) . . ?
C1_8 C2_8 C3_8 110.9(16) . . ?
N1_8 C2_8 C3_8 109.5(16) . . ?
O4_8 C4_8 O3_8 124.4(13) . . ?
O4_8 C4_8 C5_8 116.9(12) . . ?
O3_8 C4_8 C5_8 118.7(12) . . ?
C4_8 C5_8 N2_8 110.2(11) . . ?
C4_8 C5_8 C6_8 107.3(12) . . ?
N2_8 C5_8 C6_8 107.0(13) . . ?
O4_9 Cl1_9 O3_9 110.8(9) . . ?
O4_9 Cl1_9 O2_9 111.4(10) . . ?
O3_9 Cl1_9 O2_9 109.7(9) . . ?
O4_9 Cl1_9 O1_9 109.5(10) . . ?
O3_9 Cl1_9 O1_9 104.3(10) . . ?
O2_9 Cl1_9 O1_9 110.9(10) . . ?
O8_9 Cl2_9 O6_9 110.0(7) . . ?
O8_9 Cl2_9 O7_9 110.7(8) . . ?
O6_9 Cl2_9 O7_9 110.8(7) . . ?
O8_9 Cl2_9 O5_9 109.1(7) . . ?
O6_9 Cl2_9 O5_9 108.3(6) . . ?
O7_9 Cl2_9 O5_9 108.0(7) . . ?

_refine_diff_density_max         1.674
_refine_diff_density_min         -1.919
_refine_diff_density_rms         0.208

_shelxl_version_number           2013-2

