# Electronic Supplementary Material (ESI) for Nanoscale.
# This journal is © The Royal Society of Chemistry 2017

####################################################################### 
# 
# 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_3
_database_code_depnum_ccdc_archive 'CCDC 1456410'
_audit_update_record             
;
2017-03-04 deposited with the CCDC.
2017-03-20 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C124 H270 Ag41 Cr2 N7 O17 S30'
_chemical_formula_weight         7619.94

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'
Cr Cr 0.3209 0.6236 '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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      trigonal
_space_group_IT_number           167
_space_group_name_H-M_alt        'R -3 c'
_space_group_name_Hall           '-R 3 2"c'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x-y, -y, -z+1/2'
'-x, -x+y, -z+1/2'
'y, x, -z+1/2'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x-y+2/3, -y+1/3, -z+5/6'
'-x+2/3, -x+y+1/3, -z+5/6'
'y+2/3, x+1/3, -z+5/6'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'x-y+1/3, -y+2/3, -z+7/6'
'-x+1/3, -x+y+2/3, -z+7/6'
'y+1/3, x+2/3, -z+7/6'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-x+y, y, z-1/2'
'x, x-y, z-1/2'
'-y, -x, z-1/2'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-x+y+2/3, y+1/3, z-1/6'
'x+2/3, x-y+1/3, z-1/6'
'-y+2/3, -x+1/3, z-1/6'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'
'-x+y+1/3, y+2/3, z+1/6'
'x+1/3, x-y+2/3, z+1/6'
'-y+1/3, -x+2/3, z+1/6'

_cell_length_a                   22.6491(3)
_cell_length_b                   22.6491(3)
_cell_length_c                   71.0014(13)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_volume                     31542.7(7)
_cell_formula_units_Z            6
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    37999
_cell_measurement_theta_min      2.763
_cell_measurement_theta_max      27.312

_exptl_crystal_description       block
_exptl_crystal_colour            orange
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.407
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             21924
_exptl_absorpt_coefficient_mu    4.157
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6353
_exptl_absorpt_correction_T_max  0.6812
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71000
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker Smart Apex CCD area detector'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            29786
_diffrn_reflns_av_R_equivalents  0.0184
_diffrn_reflns_av_sigmaI/netI    0.0146
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_l_min       -51
_diffrn_reflns_limit_l_max       84
_diffrn_reflns_theta_min         2.76
_diffrn_reflns_theta_max         25.00
_reflns_number_total             6177
_reflns_number_gt                5442
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0920P)²+1097.5416P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         6177
_refine_ls_number_parameters     269
_refine_ls_number_restraints     77
_refine_ls_R_factor_all          0.0663
_refine_ls_R_factor_gt           0.0595
_refine_ls_wR_factor_ref         0.1720
_refine_ls_wR_factor_gt          0.1638
_refine_ls_goodness_of_fit_ref   1.024
_refine_ls_restrained_S_all      1.027
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.3333 0.6667 0.628504(15) 0.0461(3) Uani 1 3 d S . .
Ag2 Ag 0.44527(4) 0.65630(4) 0.601267(11) 0.0519(2) Uani 1 1 d . . .
Ag3 Ag 0.34744(4) 0.53117(5) 0.579218(10) 0.0553(2) Uani 1 1 d . . .
Ag4 Ag 0.52241(4) 0.67022(4) 0.564968(12) 0.0579(2) Uani 1 1 d . . .
Ag5 Ag 0.6667 0.74169(5) 0.5833 0.0531(3) Uani 1 2 d S . .
Ag6 Ag 0.49035(5) 0.77121(4) 0.540999(10) 0.0611(3) Uani 1 1 d . . .
Ag7 Ag 0.41081(6) 0.67032(6) 0.506111(17) 0.0791(3) Uani 1 1 d . . .
Ag8 Ag 0.44160(7) 0.56034(6) 0.519101(15) 0.0927(4) Uani 1 1 d . . .
S1 S 0.3389(2) 0.54899(19) 0.49795(5) 0.0782(9) Uani 1 1 d . . .
S2 S 0.38016(13) 0.50459(13) 0.54999(4) 0.0515(6) Uani 1 1 d . . .
S3 S 0.55519(14) 0.65917(15) 0.59637(4) 0.0608(7) Uani 1 1 d . . .
S4 S 0.43924(11) 0.76338(11) 0.60967(3) 0.0388(5) Uani 1 1 d . . .
S5 S 0.51363(15) 0.68295(17) 0.53192(4) 0.0662(7) Uani 1 1 d . . .
O1 O 0.6754(8) 0.8472(8) 0.5990(2) 0.062(3) Uani 0.50 1 d PU . .
O2 O 0.6096(8) 0.8133(8) 0.5743(2) 0.061(3) Uani 0.50 1 d PU . .
O3 O 0.6113(8) 0.8920(8) 0.5926(2) 0.063(4) Uani 0.50 1 d PU . .
N1 N 0.6312(10) 0.8515(10) 0.5884(3) 0.061(2) Uani 0.50 1 d PU . .
N2 N 0.4898(7) 0.5150(7) 0.50433(17) 0.0809(14) Uani 0.50 1 d PU . .
N2A N 0.3333 0.6667 0.65856(19) 0.0475(11) Uani 0.50 3 d SPU . .
C1 C 0.344(2) 0.4766(13) 0.4696(7) 0.35(3) Uiso 1 1 d DU . .
H1A H 0.3022 0.4451 0.4628 0.522 Uiso 1 1 calc R . .
H1B H 0.3452 0.4566 0.4817 0.522 Uiso 1 1 calc R . .
H1C H 0.3837 0.4847 0.4621 0.522 Uiso 1 1 calc R . .
C2 C 0.3459(15) 0.5451(16) 0.4729(4) 0.197(9) Uiso 1 1 d DU . .
H2 H 0.3073 0.5459 0.4663 0.236 Uiso 1 1 calc R . .
C3 C 0.4147(12) 0.5933(14) 0.4633(4) 0.198(9) Uiso 1 1 d DU . .
H3A H 0.4448 0.5733 0.4627 0.238 Uiso 1 1 calc R . .
H3B H 0.4390 0.6386 0.4694 0.238 Uiso 1 1 calc R . .
C4 C 0.386(2) 0.597(2) 0.4434(4) 0.32(3) Uiso 1 1 d DU . .
H4A H 0.3672 0.5520 0.4373 0.481 Uiso 1 1 calc R . .
H4B H 0.4230 0.6312 0.4357 0.481 Uiso 1 1 calc R . .
H4C H 0.3502 0.6083 0.4449 0.481 Uiso 1 1 calc R . .
C5 C 0.3838(15) 0.3282(14) 0.5558(4) 0.167(9) Uiso 1 1 d U . .
H5A H 0.3711 0.3123 0.5428 0.251 Uiso 1 1 calc R . .
H5B H 0.3442 0.3030 0.5640 0.251 Uiso 1 1 calc R . .
H5C H 0.4207 0.3206 0.5598 0.251 Uiso 1 1 calc R . .
C6 C 0.4074(8) 0.4036(7) 0.5568(2) 0.085(3) Uani 1 1 d U . .
H6A H 0.4182 0.4197 0.5700 0.102 Uiso 1 1 calc R . .
H6B H 0.4489 0.4299 0.5491 0.102 Uiso 1 1 calc R . .
C7 C 0.3511(8) 0.4128(6) 0.5495(2) 0.081(3) Uani 1 1 d U . .
H7 H 0.3112 0.3888 0.5582 0.097 Uiso 1 1 calc R . .
C8 C 0.3287(9) 0.3847(8) 0.5298(2) 0.104(6) Uani 1 1 d U . .
H8A H 0.2897 0.3895 0.5261 0.156 Uiso 1 1 calc R . .
H8B H 0.3156 0.3363 0.5296 0.156 Uiso 1 1 calc R . .
H8C H 0.3664 0.4099 0.5210 0.156 Uiso 1 1 calc R . .
C9 C 0.558(2) 0.549(3) 0.6263(5) 0.47(4) Uiso 1 1 d DU . .
H9A H 0.5933 0.5973 0.6245 0.699 Uiso 1 1 calc R . .
H9B H 0.5791 0.5207 0.6255 0.699 Uiso 1 1 calc R . .
H9C H 0.5368 0.5438 0.6387 0.699 Uiso 1 1 calc R . .
C10 C 0.5035(12) 0.5282(14) 0.6107(4) 0.162(7) Uiso 1 1 d DU . .
H10A H 0.4819 0.4791 0.6077 0.195 Uiso 1 1 calc R . .
H10B H 0.4679 0.5396 0.6141 0.195 Uiso 1 1 calc R . .
C11 C 0.5486(14) 0.5729(13) 0.5946(3) 0.160(7) Uiso 1 1 d DU . .
H11 H 0.5931 0.5866 0.6009 0.192 Uiso 1 1 calc R . .
C12 C 0.5656(8) 0.5574(8) 0.5778(2) 0.081(4) Uiso 1 1 d U . .
H12A H 0.5310 0.5505 0.5684 0.121 Uiso 1 1 calc R . .
H12B H 0.5680 0.5155 0.5791 0.121 Uiso 1 1 calc R . .
H12C H 0.6100 0.5948 0.5738 0.121 Uiso 1 1 calc R . .
C13 C 0.705(3) 0.720(3) 0.5164(8) 0.38(3) Uiso 1 1 d U . .
H13A H 0.7014 0.7003 0.5040 0.563 Uiso 1 1 calc R . .
H13B H 0.7389 0.7169 0.5240 0.563 Uiso 1 1 calc R . .
H13C H 0.7177 0.7685 0.5150 0.563 Uiso 1 1 calc R . .
C14 C 0.6349(10) 0.6820(10) 0.5263(3) 0.108(4) Uiso 1 1 d U . .
H14A H 0.6067 0.6358 0.5209 0.130 Uiso 1 1 calc R . .
H14B H 0.6405 0.6777 0.5400 0.130 Uiso 1 1 calc R . .
C15 C 0.6027(10) 0.7262(10) 0.5226(3) 0.107(4) Uiso 1 1 d U . .
H15 H 0.6299 0.7702 0.5295 0.129 Uiso 1 1 calc R . .
C16 C 0.5997(15) 0.7425(15) 0.5016(4) 0.170(10) Uiso 1 1 d U . .
H16A H 0.5692 0.7004 0.4948 0.255 Uiso 1 1 calc R . .
H16B H 0.6455 0.7633 0.4961 0.255 Uiso 1 1 calc R . .
H16C H 0.5824 0.7744 0.5005 0.255 Uiso 1 1 calc R . .
C18 C 0.5094(11) 0.8247(11) 0.6261(3) 0.127(5) Uiso 1 1 d DU . .
H18 H 0.5486 0.8643 0.6197 0.153 Uiso 1 1 calc R . .
C19 C 0.5286(11) 0.7807(10) 0.6382(3) 0.129(5) Uiso 1 1 d DU . .
H19A H 0.5443 0.7555 0.6302 0.154 Uiso 1 1 calc R . .
H19B H 0.4890 0.7474 0.6457 0.154 Uiso 1 1 calc R . .
C21 C 0.3333 0.6667 0.65856(19) 0.0475(11) Uani 0.50 3 d SPU . .
C21A C 0.4898(7) 0.5150(7) 0.50433(17) 0.0809(14) Uani 0.50 1 d PU . .
Cr1 Cr 0.3333 0.6667 0.56002(3) 0.0317(5) Uani 1 3 d S . .
O4 O 0.3333 0.6667 0.53713(14) 0.048(3) Uani 1 3 d S . .
O5 O 0.4051(3) 0.6742(3) 0.56775(9) 0.0424(13) Uani 1 1 d . . .
C20 C 0.587(2) 0.831(2) 0.6513(7) 0.56(5) Uiso 1 1 d DU . .
H20A H 0.6048 0.8776 0.6467 0.846 Uiso 1 1 calc R . .
H20B H 0.6234 0.8197 0.6515 0.846 Uiso 1 1 calc R . .
H20C H 0.5691 0.8272 0.6641 0.846 Uiso 1 1 calc R . .
C17 C 0.467(2) 0.844(3) 0.6394(5) 0.37(3) Uiso 1 1 d DU . .
H17A H 0.4189 0.8086 0.6386 0.561 Uiso 1 1 calc R . .
H17B H 0.4729 0.8878 0.6357 0.561 Uiso 1 1 calc R . .
H17C H 0.4830 0.8462 0.6524 0.561 Uiso 1 1 calc R . .


_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 N2A 2.134(14) . y
Ag1 S4 2.662(2) 2_665 y
Ag1 S4 2.662(2) . y
Ag1 S4 2.662(2) 3_565 y
Ag1 Ag2 3.2890(10) 2_665 y
Ag1 Ag2 3.2890(10) 3_565 y
Ag1 Ag2 3.2890(10) . y
Ag2 S3 2.482(3) . y
Ag2 S4 2.567(2) . y
Ag2 S4 2.574(2) 3_565 y
Ag2 Ag3 3.0188(12) . y
Ag2 Ag4 3.0404(11) . y
Ag3 S2 2.380(2) . y
Ag3 S4 2.399(2) 3_565 y
Ag3 Ag6 3.0233(11) 3_565 y
Ag4 S5 2.384(3) . y
Ag4 S3 2.402(3) . y
Ag4 Ag5 3.1155(9) . y
Ag4 Ag6 3.2121(12) . y
Ag5 S3 2.451(3) 17_655 y
Ag5 S3 2.451(3) . y
Ag5 O1 2.550(16) 17_655 y
Ag5 O1 2.550(16) . y
Ag5 Ag4 3.1155(9) 17_655 y
Ag6 S2 2.395(3) 2_665 y
Ag6 S5 2.397(3) . y
Ag6 Ag3 3.0233(11) 2_665 y
Ag6 Ag7 3.2383(14) . y
Ag7 S1 2.456(4) 2_665 y
Ag7 S1 2.463(4) . y
Ag7 S5 2.863(4) . y
Ag7 Ag7 2.9703(19) 2_665 y
Ag7 Ag7 2.9703(19) 3_565 y
Ag7 Ag8 3.0461(17) . y
Ag8 N2 2.113(11) . y
Ag8 S2 2.566(3) . y
Ag8 S5 2.583(3) . y
Ag8 S1 2.671(4) . y
S1 C2 1.79(3) . ?
S1 Ag7 2.456(4) 3_565 ?
S2 C7 1.840(12) . ?
S2 Ag6 2.395(3) 3_565 ?
S3 C11 1.89(3) . ?
S4 C18 1.90(2) . ?
S4 Ag3 2.399(2) 2_665 ?
S4 Ag2 2.574(2) 2_665 ?
S5 C15 1.869(19) . ?
O1 O2 1.06(2) 17_655 ?
O1 N1 1.29(2) . ?
O1 N1 1.67(3) 17_655 ?
O2 O1 1.06(2) 17_655 ?
O2 N1 1.25(2) . ?
O3 N1 1.24(2) . ?
N1 N1 1.57(4) 17_655 ?
N1 O1 1.67(3) 17_655 ?
N2 C21A 1.17(2) 19_666 ?
N2 N2 1.17(2) 19_666 ?
N2A C21 1.15(3) 25_566 ?
N2A N2A 1.15(3) 25_566 ?
C1 C2 1.549(10) . ?
C2 C3 1.546(10) . ?
C3 C4 1.566(10) . ?
C5 C6 1.51(3) . ?
C6 C7 1.49(2) . ?
C7 C8 1.51(2) . ?
C9 C10 1.548(10) . ?
C10 C11 1.531(10) . ?
C11 C12 1.35(3) . ?
C13 C14 1.54(5) . ?
C14 C15 1.53(3) . ?
C15 C16 1.55(3) . ?
C18 C19 1.535(10) . ?
C18 C17 1.550(2) . ?
C19 C20 1.550(10) . ?
Cr1 O4 1.625(10) . ?
Cr1 O5 1.642(6) 2_665 ?
Cr1 O5 1.642(6) 3_565 ?
Cr1 O5 1.642(6) . ?

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

N2A Ag1 S4 120.16(5) . 2_665 y
N2A Ag1 S4 120.16(5) . . y
S4 Ag1 S4 96.97(6) 2_665 . y
N2A Ag1 S4 120.16(5) . 3_565 ?
S4 Ag1 S4 96.97(6) 2_665 3_565 y
S4 Ag1 S4 96.97(6) . 3_565 y
N2A Ag1 Ag2 126.01(2) . 2_665 ?
S4 Ag1 Ag2 49.74(5) 2_665 2_665 ?
S4 Ag1 Ag2 49.91(5) . 2_665 ?
S4 Ag1 Ag2 113.83(6) 3_565 2_665 ?
N2A Ag1 Ag2 126.01(2) . 3_565 ?
S4 Ag1 Ag2 49.91(5) 2_665 3_565 ?
S4 Ag1 Ag2 113.83(6) . 3_565 ?
S4 Ag1 Ag2 49.74(5) 3_565 3_565 ?
Ag2 Ag1 Ag2 88.94(3) 2_665 3_565 ?
N2A Ag1 Ag2 126.01(2) . . ?
S4 Ag1 Ag2 113.83(6) 2_665 . ?
S4 Ag1 Ag2 49.74(5) . . ?
S4 Ag1 Ag2 49.91(5) 3_565 . ?
Ag2 Ag1 Ag2 88.94(3) 2_665 . ?
Ag2 Ag1 Ag2 88.94(3) 3_565 . ?
S3 Ag2 S4 122.30(9) . . y
S3 Ag2 S4 133.46(9) . 3_565 y
S4 Ag2 S4 101.69(10) . 3_565 y
S3 Ag2 Ag3 101.98(8) . . ?
S4 Ag2 Ag3 130.30(6) . . ?
S4 Ag2 Ag3 50.03(5) 3_565 . ?
S3 Ag2 Ag4 50.32(7) . . ?
S4 Ag2 Ag4 113.48(6) . . ?
S4 Ag2 Ag4 126.81(6) 3_565 . ?
Ag3 Ag2 Ag4 76.80(3) . . ?
S3 Ag2 Ag1 151.57(8) . . ?
S4 Ag2 Ag1 52.32(5) . . ?
S4 Ag2 Ag1 52.29(5) 3_565 . ?
Ag3 Ag2 Ag1 98.15(3) . . ?
Ag4 Ag2 Ag1 156.14(3) . . ?
S2 Ag3 S4 175.04(9) . 3_565 y
S2 Ag3 Ag2 120.96(7) . . ?
S4 Ag3 Ag2 55.32(6) 3_565 . ?
S2 Ag3 Ag6 50.94(7) . 3_565 ?
S4 Ag3 Ag6 133.81(6) 3_565 3_565 ?
Ag2 Ag3 Ag6 133.60(4) . 3_565 ?
S5 Ag4 S3 167.10(10) . . y
S5 Ag4 Ag2 140.20(8) . . ?
S3 Ag4 Ag2 52.69(7) . . ?
S5 Ag4 Ag5 118.57(8) . . ?
S3 Ag4 Ag5 50.75(7) . . ?
Ag2 Ag4 Ag5 95.63(3) . . ?
S5 Ag4 Ag6 47.95(8) . . ?
S3 Ag4 Ag6 139.25(8) . . ?
Ag2 Ag4 Ag6 101.54(3) . . ?
Ag5 Ag4 Ag6 113.80(4) . . ?
S3 Ag5 S3 151.34(14) 17_655 . y
S3 Ag5 O1 96.8(4) 17_655 17_655 y
S3 Ag5 O1 109.0(4) . 17_655 y
S3 Ag5 O1 109.0(4) 17_655 . y
S3 Ag5 O1 96.8(4) . . y
O1 Ag5 O1 52.3(7) 17_655 . y
S3 Ag5 Ag4 130.80(8) 17_655 . ?
S3 Ag5 Ag4 49.37(7) . . ?
O1 Ag5 Ag4 75.7(4) 17_655 . ?
O1 Ag5 Ag4 103.8(4) . . ?
S3 Ag5 Ag4 49.37(7) 17_655 17_655 ?
S3 Ag5 Ag4 130.81(8) . 17_655 ?
O1 Ag5 Ag4 103.8(4) 17_655 17_655 ?
O1 Ag5 Ag4 75.7(4) . 17_655 ?
Ag4 Ag5 Ag4 179.46(5) . 17_655 ?
S2 Ag6 S5 166.64(11) 2_665 . y
S2 Ag6 Ag3 50.49(6) 2_665 2_665 ?
S5 Ag6 Ag3 131.51(8) . 2_665 ?
S2 Ag6 Ag4 130.18(7) 2_665 . ?
S5 Ag6 Ag4 47.63(8) . . ?
Ag3 Ag6 Ag4 84.08(3) 2_665 . ?
S2 Ag6 Ag7 129.46(7) 2_665 . ?
S5 Ag6 Ag7 58.84(8) . . ?
Ag3 Ag6 Ag7 142.95(4) 2_665 . ?
Ag4 Ag6 Ag7 98.45(4) . . ?
S1 Ag7 S1 148.06(17) 2_665 . y
S1 Ag7 S5 101.90(12) 2_665 . y
S1 Ag7 S5 108.26(12) . . y
S1 Ag7 Ag7 52.95(10) 2_665 2_665 ?
S1 Ag7 Ag7 110.85(10) . 2_665 ?
S5 Ag7 Ag7 129.53(7) . 2_665 ?
S1 Ag7 Ag7 111.05(10) 2_665 3_565 ?
S1 Ag7 Ag7 52.75(10) . 3_565 ?
S5 Ag7 Ag7 133.70(7) . 3_565 ?
Ag7 Ag7 Ag7 60.000(1) 2_665 3_565 ?
S1 Ag7 Ag8 149.63(10) 2_665 . ?
S1 Ag7 Ag8 56.84(10) . . ?
S5 Ag7 Ag8 51.72(7) . . ?
Ag7 Ag7 Ag8 153.30(5) 2_665 . ?
Ag7 Ag7 Ag8 99.16(6) 3_565 . ?
S1 Ag7 Ag6 68.51(9) 2_665 . ?
S1 Ag7 Ag6 142.34(10) . . ?
S5 Ag7 Ag6 45.74(7) . . ?
Ag7 Ag7 Ag6 84.10(4) 2_665 . ?
Ag7 Ag7 Ag6 119.95(3) 3_565 . ?
Ag8 Ag7 Ag6 94.09(4) . . ?
N2 Ag8 S2 118.0(3) . . y
N2 Ag8 S5 119.7(4) . . y
S2 Ag8 S5 97.08(9) . . y
N2 Ag8 S1 108.1(4) . . y
S2 Ag8 S1 101.60(11) . . y
S5 Ag8 S1 110.68(12) . . y
N2 Ag8 Ag7 129.2(3) . . ?
S2 Ag8 Ag7 111.81(7) . . ?
S5 Ag8 Ag7 60.49(8) . . ?
S1 Ag8 Ag7 50.51(8) . . ?
C2 S1 Ag7 110.6(10) . 3_565 ?
C2 S1 Ag7 105.3(10) . . ?
Ag7 S1 Ag7 74.30(11) 3_565 . ?
C2 S1 Ag8 117.9(10) . . ?
Ag7 S1 Ag8 126.54(14) 3_565 . ?
Ag7 S1 Ag8 72.66(11) . . ?
C7 S2 Ag3 108.8(5) . . ?
C7 S2 Ag6 103.6(5) . 3_565 ?
Ag3 S2 Ag6 78.57(8) . 3_565 ?
C7 S2 Ag8 109.8(5) . . ?
Ag3 S2 Ag8 141.42(11) . . ?
Ag6 S2 Ag8 92.28(10) 3_565 . ?
C11 S3 Ag4 100.2(8) . . ?
C11 S3 Ag5 106.4(8) . . ?
Ag4 S3 Ag5 79.88(9) . . ?
C11 S3 Ag2 115.0(8) . . ?
Ag4 S3 Ag2 76.98(8) . . ?
Ag5 S3 Ag2 135.26(11) . . ?
C18 S4 Ag3 105.4(6) . 2_665 ?
C18 S4 Ag2 114.4(6) . . ?
Ag3 S4 Ag2 97.40(8) 2_665 . ?
C18 S4 Ag2 117.9(6) . 2_665 ?
Ag3 S4 Ag2 74.65(7) 2_665 2_665 ?
Ag2 S4 Ag2 127.35(9) . 2_665 ?
C18 S4 Ag1 111.9(6) . . ?
Ag3 S4 Ag1 140.85(9) 2_665 . ?
Ag2 S4 Ag1 77.94(6) . . ?
Ag2 S4 Ag1 77.80(6) 2_665 . ?
C15 S5 Ag4 106.1(6) . . ?
C15 S5 Ag6 106.8(6) . . ?
Ag4 S5 Ag6 84.42(9) . . ?
C15 S5 Ag8 112.0(6) . . ?
Ag4 S5 Ag8 105.24(13) . . ?
Ag6 S5 Ag8 135.03(14) . . ?
C15 S5 Ag7 115.9(6) . . ?
Ag4 S5 Ag7 136.95(11) . . ?
Ag6 S5 Ag7 75.42(10) . . ?
Ag8 S5 Ag7 67.79(8) . . ?
O2 O1 N1 110.7(18) 17_655 . ?
O2 O1 N1 48.4(12) 17_655 17_655 ?
N1 O1 N1 62.3(15) . 17_655 ?
O2 O1 Ag5 81.2(13) 17_655 . ?
N1 O1 Ag5 96.8(12) . . ?
N1 O1 Ag5 87.7(9) 17_655 . ?
O1 O2 N1 92.5(17) 17_655 . ?
O3 N1 O2 122.8(18) . . ?
O3 N1 O1 119.8(18) . . ?
O2 N1 O1 117.4(18) . . ?
O3 N1 N1 112.9(12) . 17_655 ?
O2 N1 N1 86.0(17) . 17_655 ?
O1 N1 N1 70.9(14) . 17_655 ?
O3 N1 O1 129.7(17) . 17_655 ?
O2 N1 O1 39.1(10) . 17_655 ?
O1 N1 O1 97.7(16) . 17_655 ?
N1 N1 O1 46.9(11) 17_655 17_655 ?
C21A N2 N2 0.0(14) 19_666 19_666 ?
C21A N2 Ag8 173.5(18) 19_666 . ?
N2 N2 Ag8 173.5(18) 19_666 . ?
C21 N2A N2A 0.000(4) 25_566 25_566 ?
C3 C2 C1 98.8(7) . . ?
C3 C2 S1 119(2) . . ?
C1 C2 S1 104(3) . . ?
C2 C3 C4 97.8(7) . . ?
C7 C6 C5 107.3(15) . . ?
C6 C7 C8 113.1(13) . . ?
C6 C7 S2 107.8(10) . . ?
C8 C7 S2 110.4(11) . . ?
C11 C10 C9 99.3(9) . . ?
C12 C11 C10 132(2) . . ?
C12 C11 S3 116.3(16) . . ?
C10 C11 S3 108.4(19) . . ?
C15 C14 C13 104(3) . . ?
C14 C15 C16 114.5(19) . . ?
C14 C15 S5 109.9(13) . . ?
C16 C15 S5 107.5(15) . . ?
C19 C18 C17 104.6(8) . . ?
C19 C18 S4 106.0(14) . . ?
C17 C18 S4 100(2) . . ?
C18 C19 C20 105.9(9) . . ?
O4 Cr1 O5 109.5(2) . 2_665 ?
O4 Cr1 O5 109.5(2) . 3_565 ?
O5 Cr1 O5 109.4(2) 2_665 3_565 ?
O4 Cr1 O5 109.5(2) . . ?
O5 Cr1 O5 109.4(2) 2_665 . ?
O5 Cr1 O5 109.4(2) 3_565 . ?

_diffrn_measured_fraction_theta_max 0.996
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.996
_refine_diff_density_max         2.448
_refine_diff_density_min         -2.107
_refine_diff_density_rms         0.193

# start Validation Reply Form
_vrf_PLAT201_3                   
;
PROBLEM: Isotropic non-H Atoms in Main Residue(s) .......         17 Report
RESPONSE: Quality of the data is not enough to get good anisotropic 
displacement parameters. 
;
_vrf_PLAT242_3                   
;
PROBLEM: Low    'MainMol' Ueq as Compared to Neighbors of        C10 Check 
RESPONSE: Crystal had very weak diffraction, therefore not many high angle 
reflections have been detected. The C Atom is directly bonded to the terminal 
C atoms with the high Ueq values. So it has low value of thermal parameter 
into comparison with terminal neighboring atoms. 
;
_vrf_PLAT412_3                   
;
PROBLEM: Short Intra XH3 .. XHn     H9A    ..  H11     ..       1.69 Ang.  
RESPONSE: Quality of the data is not good and crystal had very weak 
diffraction, therefore not many high angle reflections have been detected. 
So the high Ueq values for the peripheral C atoms of ligands cause the Short 
H...H contacts.
;
_vrf_PLAT413_3                   
;
PROBLEM: Short Inter XH3 .. XHn     H1A    ..  H9B     ..       1.28 Ang.  
RESPONSE: Quality of the data is not good and crystal had very weak diffraction,
therefore not many high angle reflections have been detected. So the high Ueq 
values for the peripheral C atoms of ligands cause the Short 
H...H contacts.
;
_vrf_PLAT430_3                   
;
PROBLEM: Short Inter D...A Contact  N2     ..  N2      ..       1.17 Ang.  
RESPONSE: Short N2...N2 Contact is caused by the position disorder of the N 
atom and C atom. 
;
####################################################################### 
# 
# 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_p62
_database_code_depnum_ccdc_archive 'CCDC 1456411'
_audit_update_record             
;
2017-03-04 deposited with the CCDC.
2017-03-20 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C50 H98 Ag20 Cr5 F12 N4 O30 S10'
_chemical_formula_weight         4201.32

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'
Cr Cr 0.3209 0.6236 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      hexagonal
_space_group_IT_number           171
_space_group_name_H-M_alt        'P 62'
_space_group_name_Hall           'P 62'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z+2/3'
'-x+y, -x, z+1/3'
'-x, -y, z'
'y, -x+y, z+2/3'
'x-y, x, z+1/3'

_cell_length_a                   17.5994(5)
_cell_length_b                   17.5994(5)
_cell_length_c                   29.2422(9)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_volume                     7844.0(4)
_cell_formula_units_Z            3
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    9952
_cell_measurement_theta_min      4.961
_cell_measurement_theta_max      54.921

_exptl_crystal_description       block
_exptl_crystal_colour            red
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.668
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             5982
_exptl_absorpt_coefficient_mu    4.426
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7184
_exptl_absorpt_correction_T_max  0.8090
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            29051
_diffrn_reflns_av_R_equivalents  0.0444
_diffrn_reflns_av_sigmaI/netI    0.0678
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_limit_l_max       37
_diffrn_reflns_theta_min         2.48
_diffrn_reflns_theta_max         27.51
_reflns_number_total             10170
_reflns_number_gt                8545
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0000P)²+36.2377P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.01(3)
_refine_ls_number_reflns         10170
_refine_ls_number_parameters     606
_refine_ls_number_restraints     19
_refine_ls_R_factor_all          0.0635
_refine_ls_R_factor_gt           0.0430
_refine_ls_wR_factor_ref         0.0689
_refine_ls_wR_factor_gt          0.0621
_refine_ls_goodness_of_fit_ref   1.102
_refine_ls_restrained_S_all      1.102
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.97077(5) 0.65058(5) 0.35777(2) 0.01804(16) Uani 1 1 d . . .
Ag2 Ag 0.78696(5) 0.55388(5) 0.32862(2) 0.01871(17) Uani 1 1 d . . .
Ag3 Ag 0.76149(5) 0.42854(5) 0.24879(3) 0.02248(18) Uani 1 1 d . . .
Ag4 Ag 1.20126(5) 0.71539(5) 0.20743(2) 0.01888(17) Uani 1 1 d . . .
Ag5 Ag 1.07495(5) 0.77691(5) 0.22265(2) 0.01843(16) Uani 1 1 d . . .
Ag6 Ag 0.90304(5) 0.71012(5) 0.27586(3) 0.02044(17) Uani 1 1 d . . .
Ag7 Ag 1.17053(5) 0.74866(5) 0.30377(2) 0.01964(17) Uani 1 1 d . . .
Ag8 Ag 0.75111(5) 0.36837(5) 0.35141(2) 0.02184(17) Uani 1 1 d . . .
Ag9 Ag 1.0000 0.5000 0.38913(4) 0.0216(2) Uani 1 2 d S . .
Ag10 Ag 1.0000 0.5000 0.16135(4) 0.0216(2) Uani 1 2 d S . .
Ag11 Ag 0.91212(5) 0.62050(5) 0.18893(2) 0.01929(16) Uani 1 1 d . . .
S1 S 0.86269(15) 0.50464(15) 0.38904(8) 0.0154(5) Uani 1 1 d . . .
S2 S 0.78656(15) 0.57543(15) 0.24086(8) 0.0150(5) Uani 1 1 d . . .
S3 S 1.28104(15) 0.71389(15) 0.28005(8) 0.0157(5) Uani 1 1 d . . .
S4 S 0.93898(15) 0.33881(15) 0.16553(8) 0.0159(5) Uani 1 1 d . . .
S5 S 1.05161(16) 0.77988(15) 0.30854(8) 0.0156(5) Uani 1 1 d . . .
Cr1 Cr 1.0000 0.5000 0.27598(8) 0.0136(4) Uani 1 2 d S . .
Cr2 Cr 1.17149(10) 0.75782(10) 0.43165(5) 0.0206(4) Uani 1 1 d . . .
Cr3 Cr 1.33857(11) 0.74780(11) 0.45618(5) 0.0237(4) Uani 1 1 d . . .
C1 C 0.9398(6) 0.8675(6) 0.1867(4) 0.024(2) Uani 1 1 d . . .
H1 H 0.9466 0.8550 0.1566 0.029 Uiso 1 1 calc R . .
C2 C 0.8599(8) 0.9341(8) 0.1557(4) 0.036(3) Uani 1 1 d . . .
H2A H 0.8790 0.9220 0.1273 0.055 Uiso 1 1 calc R . .
H2B H 0.8803 0.9958 0.1579 0.055 Uiso 1 1 calc R . .
H2C H 0.7970 0.9019 0.1571 0.055 Uiso 1 1 calc R . .
C3 C 0.8772(7) 0.9267(7) 0.2392(3) 0.028(3) Uani 1 1 d . . .
H3A H 0.8993 0.9025 0.2615 0.042 Uiso 1 1 calc R . .
H3B H 0.8150 0.9012 0.2431 0.042 Uiso 1 1 calc R . .
H3C H 0.9052 0.9891 0.2434 0.042 Uiso 1 1 calc R . .
C4 C 0.4994(13) 0.3885(14) 0.4421(6) 0.127(9) Uani 1 1 d . . .
H4A H 0.4691 0.3261 0.4466 0.191 Uiso 1 1 calc R . .
H4B H 0.4599 0.4102 0.4478 0.191 Uiso 1 1 calc R . .
H4C H 0.5481 0.4159 0.4628 0.191 Uiso 1 1 calc R . .
C5 C 0.4588(11) 0.3720(15) 0.3587(7) 0.116(8) Uani 1 1 d . . .
H5A H 0.4858 0.3952 0.3297 0.173 Uiso 1 1 calc R . .
H5B H 0.4162 0.3894 0.3651 0.173 Uiso 1 1 calc R . .
H5C H 0.4304 0.3091 0.3580 0.173 Uiso 1 1 calc R . .
C6 C 0.6120(9) 0.4396(8) 0.3866(5) 0.043(3) Uani 1 1 d . . .
H6 H 0.6520 0.4588 0.4106 0.051 Uiso 1 1 calc R . .
C7 C 1.2700(6) 0.9240(6) 0.2035(4) 0.023(2) Uani 1 1 d . . .
C8 C 1.3447(8) 1.0175(8) 0.2069(5) 0.041(3) Uani 1 1 d . . .
C9 C 0.7949(7) 0.7383(7) 0.3506(4) 0.027(2) Uani 1 1 d . . .
C10 C 0.7702(8) 0.7976(8) 0.3799(4) 0.034(3) Uani 1 1 d . . .
C11 C 0.9179(7) 0.2889(7) 0.1080(3) 0.026(2) Uani 1 1 d . . .
H11 H 0.8548 0.2600 0.1018 0.032 Uiso 1 1 calc R . .
C12 C 0.9656(8) 0.3594(8) 0.0725(3) 0.036(3) Uani 1 1 d . . .
H12A H 0.9463 0.4016 0.0742 0.054 Uiso 1 1 calc R . .
H12B H 0.9532 0.3334 0.0426 0.054 Uiso 1 1 calc R . .
H12C H 1.0276 0.3880 0.0781 0.054 Uiso 1 1 calc R . .
C13 C 0.9456(8) 0.2208(8) 0.1074(4) 0.047(3) Uani 1 1 d . . .
H13A H 1.0068 0.2479 0.1149 0.071 Uiso 1 1 calc R . .
H13B H 0.9360 0.1952 0.0774 0.071 Uiso 1 1 calc R . .
H13C H 0.9118 0.1760 0.1294 0.071 Uiso 1 1 calc R . .
C14 C 1.3965(6) 0.8022(6) 0.2765(4) 0.023(2) Uani 1 1 d U . .
H14 H 1.4058 0.8329 0.2473 0.028 Uiso 1 1 calc R . .
C15 C 1.4542(9) 0.7623(10) 0.2783(8) 0.106(8) Uani 1 1 d U . .
H15A H 1.4360 0.7210 0.3030 0.159 Uiso 1 1 calc R . .
H15B H 1.5139 0.8077 0.2830 0.159 Uiso 1 1 calc R . .
H15C H 1.4497 0.7328 0.2500 0.159 Uiso 1 1 calc R . .
C16 C 1.4147(8) 0.8662(8) 0.3148(4) 0.054(4) Uani 1 1 d U . .
H16A H 1.3741 0.8874 0.3132 0.082 Uiso 1 1 calc R . .
H16B H 1.4735 0.9146 0.3121 0.082 Uiso 1 1 calc R . .
H16C H 1.4082 0.8374 0.3436 0.082 Uiso 1 1 calc R . .
C17 C 0.8901(7) 0.5023(7) 0.4820(3) 0.023(2) Uani 1 1 d . . .
H17A H 0.8877 0.4479 0.4748 0.034 Uiso 1 1 calc R . .
H17B H 0.8681 0.4994 0.5124 0.034 Uiso 1 1 calc R . .
H17C H 0.9497 0.5495 0.4802 0.034 Uiso 1 1 calc R . .
C18 C 0.8403(7) 0.6061(6) 0.4544(3) 0.026(2) Uani 1 1 d . . .
H18A H 0.9007 0.6516 0.4526 0.038 Uiso 1 1 calc R . .
H18B H 0.8171 0.6080 0.4838 0.038 Uiso 1 1 calc R . .
H18C H 0.8074 0.6148 0.4309 0.038 Uiso 1 1 calc R . .
C19 C 0.8339(6) 0.5184(6) 0.4479(3) 0.018(2) Uani 1 1 d . . .
H19 H 0.7727 0.4732 0.4531 0.022 Uiso 1 1 calc R . .
C20 C 0.6953(6) 0.5941(7) 0.2226(3) 0.023(2) Uani 1 1 d . . .
H20 H 0.6731 0.5639 0.1934 0.028 Uiso 1 1 calc R . .
C21 C 0.6216(7) 0.5508(7) 0.2570(4) 0.035(3) Uani 1 1 d . . .
H21A H 0.6043 0.4899 0.2599 0.052 Uiso 1 1 calc R . .
H21B H 0.5724 0.5558 0.2468 0.052 Uiso 1 1 calc R . .
H21C H 0.6411 0.5792 0.2861 0.052 Uiso 1 1 calc R . .
C22 C 0.7280(7) 0.6877(7) 0.2149(4) 0.033(3) Uani 1 1 d . . .
H22A H 0.7568 0.7201 0.2420 0.049 Uiso 1 1 calc R . .
H22B H 0.6797 0.6965 0.2077 0.049 Uiso 1 1 calc R . .
H22C H 0.7688 0.7079 0.1899 0.049 Uiso 1 1 calc R . .
C23 C 1.0806(7) 0.8894(6) 0.3294(3) 0.023(2) Uani 1 1 d . . .
H23 H 1.0500 0.9111 0.3101 0.028 Uiso 1 1 calc R . .
C24 C 1.0484(7) 0.8844(7) 0.3781(4) 0.030(3) Uani 1 1 d . . .
H24A H 0.9857 0.8474 0.3790 0.045 Uiso 1 1 calc R . .
H24B H 1.0639 0.9422 0.3884 0.045 Uiso 1 1 calc R . .
H24C H 1.0751 0.8606 0.3977 0.045 Uiso 1 1 calc R . .
C25 C 1.1771(7) 0.9506(6) 0.3235(4) 0.027(3) Uani 1 1 d . . .
H25A H 1.2089 0.9327 0.3432 0.041 Uiso 1 1 calc R . .
H25B H 1.1909 1.0091 0.3313 0.041 Uiso 1 1 calc R . .
H25C H 1.1932 0.9492 0.2923 0.041 Uiso 1 1 calc R . .
O1 O 0.9547(4) 0.4119(4) 0.3090(2) 0.0214(16) Uani 1 1 d . . .
O2 O 0.9238(4) 0.4999(5) 0.2433(2) 0.0264(17) Uani 1 1 d . . .
O3 O 1.0693(4) 0.6845(4) 0.4253(2) 0.0235(16) Uani 1 1 d . . .
O4 O 1.1813(5) 0.8392(4) 0.4613(2) 0.0325(19) Uani 1 1 d . . .
O5 O 1.2184(4) 0.7916(5) 0.3825(2) 0.0322(19) Uani 1 1 d . . .
O6 O 1.2242(4) 0.7085(4) 0.4618(2) 0.0251(17) Uani 1 1 d . . .
O7 O 1.3895(5) 0.8530(5) 0.4546(3) 0.043(2) Uani 1 1 d . . .
O8 O 1.3702(5) 0.7137(5) 0.4997(2) 0.0322(18) Uani 1 1 d . . .
O9 O 1.3543(5) 0.7078(5) 0.4095(2) 0.040(2) Uani 1 1 d . . .
O10 O 0.8457(5) 0.7796(5) 0.3205(3) 0.0331(19) Uani 1 1 d . . .
O11 O 0.7561(5) 0.6590(5) 0.3611(3) 0.0355(19) Uani 1 1 d . . .
O12 O 0.6410(5) 0.4465(6) 0.3480(3) 0.048(2) Uani 1 1 d . . .
O13 O 1.2944(5) 0.8693(5) 0.1979(3) 0.0350(19) Uani 1 1 d . . .
O14 O 1.1956(5) 0.9147(4) 0.2059(2) 0.0270(17) Uani 1 1 d . . .
O15 O 0.9737(4) 0.8444(4) 0.2169(2) 0.0247(16) Uani 1 1 d . . .
F1 F 1.4057(8) 1.0247(6) 0.2339(5) 0.166(7) Uani 1 1 d . . .
F2 F 1.3868(8) 1.0485(6) 0.1687(5) 0.144(6) Uani 1 1 d . . .
F3 F 1.3248(5) 1.0767(4) 0.2192(3) 0.068(3) Uani 1 1 d . . .
F4 F 0.7305(5) 0.7606(5) 0.4189(2) 0.058(2) Uani 1 1 d . . .
F5 F 0.7172(4) 0.8173(5) 0.3562(3) 0.0502(19) Uani 1 1 d . . .
F6 F 0.8430(5) 0.8733(5) 0.3919(2) 0.0499(19) Uani 1 1 d . . .
N1 N 0.5302(7) 0.4079(8) 0.3968(4) 0.058(3) Uani 1 1 d . . .
N2 N 0.8955(5) 0.9077(5) 0.1936(3) 0.023(2) Uani 1 1 d . . .


_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 S5 2.457(2) . ?
Ag1 S1 2.483(2) . ?
Ag1 O3 2.495(6) . ?
Ag1 O1 2.531(6) 4_765 ?
Ag1 Ag2 2.9295(10) . ?
Ag1 Ag9 3.0810(8) . ?
Ag1 Ag6 3.0830(10) . ?
Ag2 O11 2.373(7) . ?
Ag2 O12 2.374(8) . ?
Ag2 S2 2.595(2) . ?
Ag2 S1 2.608(2) . ?
Ag2 Ag6 2.9151(10) . ?
Ag2 Ag8 3.0726(10) . ?
Ag2 Ag3 3.0866(11) . ?
Ag3 S2 2.406(2) . ?
Ag3 S3 2.409(3) 4_765 ?
Ag3 O2 2.484(7) . ?
Ag3 Ag8 3.1570(11) . ?
Ag3 Ag4 3.1575(10) 4_765 ?
Ag4 O13 2.379(7) . ?
Ag4 S4 2.480(2) 4_765 ?
Ag4 O8 2.511(7) 2_754 ?
Ag4 S3 2.553(3) . ?
Ag4 Ag5 2.9528(10) . ?
Ag4 Ag7 2.9814(10) . ?
Ag4 Ag3 3.1575(10) 4_765 ?
Ag5 O14 2.341(7) . ?
Ag5 S4 2.549(2) 4_765 ?
Ag5 S5 2.550(2) . ?
Ag5 O15 2.595(7) . ?
Ag5 Ag11 2.9789(10) . ?
Ag5 Ag6 3.0660(11) . ?
Ag5 Ag7 3.0888(10) . ?
Ag6 O10 2.334(7) . ?
Ag6 S2 2.452(2) . ?
Ag6 S5 2.459(2) . ?
Ag6 Ag11 3.0376(11) . ?
Ag7 S3 2.414(3) . ?
Ag7 S5 2.419(2) . ?
Ag7 O5 2.438(7) . ?
Ag7 O1 2.577(6) 4_765 ?
Ag7 Ag8 3.3053(11) 4_765 ?
Ag8 O9 2.374(7) 4_765 ?
Ag8 S3 2.440(3) 4_765 ?
Ag8 S1 2.472(2) . ?
Ag8 Ag7 3.3053(11) 4_765 ?
Ag9 S1 2.458(2) . ?
Ag9 S1 2.458(2) 4_765 ?
Ag9 Ag1 3.0810(8) 4_765 ?
Ag10 S4 2.484(2) 4_765 ?
Ag10 S4 2.484(2) . ?
Ag10 Ag11 3.2894(8) . ?
Ag10 Ag11 3.2894(8) 4_765 ?
Ag11 S4 2.444(2) 4_765 ?
Ag11 S2 2.463(2) . ?
Ag11 O4 2.470(7) 5_564 ?
S1 C19 1.845(9) . ?
S2 C20 1.870(9) . ?
S3 C14 1.843(9) . ?
S3 Ag3 2.409(3) 4_765 ?
S3 Ag8 2.440(3) 4_765 ?
S4 C11 1.849(10) . ?
S4 Ag11 2.444(2) 4_765 ?
S4 Ag4 2.480(2) 4_765 ?
S4 Ag5 2.549(2) 4_765 ?
S5 C23 1.834(10) . ?
Cr1 O2 1.646(6) . ?
Cr1 O2 1.646(6) 4_765 ?
Cr1 O1 1.653(6) 4_765 ?
Cr1 O1 1.653(6) . ?
Cr2 O4 1.609(7) . ?
Cr2 O5 1.615(7) . ?
Cr2 O3 1.616(6) . ?
Cr2 O6 1.787(7) . ?
Cr3 O7 1.604(8) . ?
Cr3 O8 1.621(7) . ?
Cr3 O9 1.623(7) . ?
Cr3 O6 1.780(7) . ?
C1 O15 1.241(11) . ?
C1 N2 1.305(12) . ?
C2 N2 1.458(13) . ?
C3 N2 1.451(12) . ?
C4 N1 1.408(19) . ?
C5 N1 1.56(2) . ?
C6 O12 1.220(14) . ?
C6 N1 1.292(15) . ?
C7 O14 1.237(12) . ?
C7 O13 1.246(12) . ?
C7 C8 1.510(15) . ?
C8 F1 1.286(15) . ?
C8 F2 1.300(15) . ?
C8 F3 1.305(14) . ?
C9 O10 1.206(12) . ?
C9 O11 1.247(12) . ?
C9 C10 1.571(14) . ?
C10 F4 1.324(12) . ?
C10 F5 1.339(12) . ?
C10 F6 1.354(13) . ?
C11 C13 1.502(15) . ?
C11 C12 1.509(14) . ?
C14 C15 1.497(16) . ?
C14 C16 1.504(15) . ?
C17 C19 1.525(12) . ?
C18 C19 1.502(12) . ?
C20 C22 1.467(14) . ?
C20 C21 1.512(14) . ?
C23 C25 1.498(14) . ?
C23 C24 1.521(14) . ?
O1 Ag1 2.531(6) 4_765 ?
O1 Ag7 2.577(6) 4_765 ?
O4 Ag11 2.470(7) 6_655 ?
O8 Ag4 2.511(7) 3_775 ?
O9 Ag8 2.374(7) 4_765 ?

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
S5 Ag1 S1 164.39(8) . . ?
S5 Ag1 O3 103.32(16) . . ?
S1 Ag1 O3 92.16(15) . . ?
S5 Ag1 O1 83.47(16) . 4_765 ?
S1 Ag1 O1 93.07(15) . 4_765 ?
O3 Ag1 O1 95.8(2) . 4_765 ?
S5 Ag1 Ag2 109.12(6) . . ?
S1 Ag1 Ag2 56.90(6) . . ?
O3 Ag1 Ag2 143.41(15) . . ?
O1 Ag1 Ag2 104.18(15) 4_765 . ?
S5 Ag1 Ag9 134.64(6) . . ?
S1 Ag1 Ag9 51.07(6) . . ?
O3 Ag1 Ag9 64.87(16) . . ?
O1 Ag1 Ag9 56.53(15) 4_765 . ?
Ag2 Ag1 Ag9 101.40(3) . . ?
S5 Ag1 Ag6 51.19(6) . . ?
S1 Ag1 Ag6 114.28(6) . . ?
O3 Ag1 Ag6 150.92(15) . . ?
O1 Ag1 Ag6 94.70(16) 4_765 . ?
Ag2 Ag1 Ag6 57.94(2) . . ?
Ag9 Ag1 Ag6 141.52(3) . . ?
O11 Ag2 O12 87.0(3) . . ?
O11 Ag2 S2 105.30(19) . . ?
O12 Ag2 S2 105.8(2) . . ?
O11 Ag2 S1 110.00(19) . . ?
O12 Ag2 S1 95.9(2) . . ?
S2 Ag2 S1 139.26(8) . . ?
O11 Ag2 Ag6 78.59(19) . . ?
O12 Ag2 Ag6 147.8(2) . . ?
S2 Ag2 Ag6 52.45(6) . . ?
S1 Ag2 Ag6 116.00(6) . . ?
O11 Ag2 Ag1 92.7(2) . . ?
O12 Ag2 Ag1 146.5(2) . . ?
S2 Ag2 Ag1 106.61(6) . . ?
S1 Ag2 Ag1 52.90(6) . . ?
Ag6 Ag2 Ag1 63.67(2) . . ?
O11 Ag2 Ag8 137.42(19) . . ?
O12 Ag2 Ag8 62.4(2) . . ?
S2 Ag2 Ag8 110.84(6) . . ?
S1 Ag2 Ag8 50.78(5) . . ?
Ag6 Ag2 Ag8 142.36(3) . . ?
Ag1 Ag2 Ag8 97.74(3) . . ?
O11 Ag2 Ag3 148.47(19) . . ?
O12 Ag2 Ag3 84.2(2) . . ?
S2 Ag2 Ag3 49.19(5) . . ?
S1 Ag2 Ag3 100.99(6) . . ?
Ag6 Ag2 Ag3 93.25(3) . . ?
Ag1 Ag2 Ag3 111.03(3) . . ?
Ag8 Ag2 Ag3 61.67(2) . . ?
S2 Ag3 S3 161.64(9) . 4_765 ?
S2 Ag3 O2 84.48(17) . . ?
S3 Ag3 O2 103.35(17) 4_765 . ?
S2 Ag3 Ag2 54.70(6) . . ?
S3 Ag3 Ag2 108.37(7) 4_765 . ?
O2 Ag3 Ag2 88.16(16) . . ?
S2 Ag3 Ag8 113.62(6) . . ?
S3 Ag3 Ag8 49.80(6) 4_765 . ?
O2 Ag3 Ag8 95.15(15) . . ?
Ag2 Ag3 Ag8 58.95(2) . . ?
S2 Ag3 Ag4 145.57(7) . 4_765 ?
S3 Ag3 Ag4 52.53(6) 4_765 4_765 ?
O2 Ag3 Ag4 74.55(17) . 4_765 ?
Ag2 Ag3 Ag4 148.08(3) . 4_765 ?
Ag8 Ag3 Ag4 95.47(3) . 4_765 ?
O13 Ag4 S4 111.5(2) . 4_765 ?
O13 Ag4 O8 101.5(2) . 2_754 ?
S4 Ag4 O8 106.82(18) 4_765 2_754 ?
O13 Ag4 S3 92.3(2) . . ?
S4 Ag4 S3 148.62(8) 4_765 . ?
O8 Ag4 S3 87.06(18) 2_754 . ?
O13 Ag4 Ag5 79.45(19) . . ?
S4 Ag4 Ag5 55.14(6) 4_765 . ?
O8 Ag4 Ag5 159.52(17) 2_754 . ?
S3 Ag4 Ag5 113.40(6) . . ?
O13 Ag4 Ag7 88.66(19) . . ?
S4 Ag4 Ag7 107.40(6) 4_765 . ?
O8 Ag4 Ag7 137.45(17) 2_754 . ?
S3 Ag4 Ag7 51.01(6) . . ?
Ag5 Ag4 Ag7 62.73(2) . . ?
O13 Ag4 Ag3 131.06(19) . 4_765 ?
S4 Ag4 Ag3 116.53(6) 4_765 4_765 ?
O8 Ag4 Ag3 56.37(17) 2_754 4_765 ?
S3 Ag4 Ag3 48.49(6) . 4_765 ?
Ag5 Ag4 Ag3 137.12(3) . 4_765 ?
Ag7 Ag4 Ag3 85.78(3) . 4_765 ?
O14 Ag5 S4 111.45(19) . 4_765 ?
O14 Ag5 S5 104.87(19) . . ?
S4 Ag5 S5 135.21(8) 4_765 . ?
O14 Ag5 O15 89.3(2) . . ?
S4 Ag5 O15 120.63(16) 4_765 . ?
S5 Ag5 O15 84.27(16) . . ?
O14 Ag5 Ag4 83.61(17) . . ?
S4 Ag5 Ag4 52.96(6) 4_765 . ?
S5 Ag5 Ag4 108.33(6) . . ?
O15 Ag5 Ag4 166.75(16) . . ?
O14 Ag5 Ag11 147.51(17) . . ?
S4 Ag5 Ag11 51.76(6) 4_765 . ?
S5 Ag5 Ag11 104.75(6) . . ?
O15 Ag5 Ag11 80.68(15) . . ?
Ag4 Ag5 Ag11 99.44(3) . . ?
O14 Ag5 Ag6 135.52(18) . . ?
S4 Ag5 Ag6 110.12(6) 4_765 . ?
S5 Ag5 Ag6 50.93(6) . . ?
O15 Ag5 Ag6 55.71(15) . . ?
Ag4 Ag5 Ag6 135.68(3) . . ?
Ag11 Ag5 Ag6 60.31(2) . . ?
O14 Ag5 Ag7 92.41(17) . . ?
S4 Ag5 Ag7 102.54(6) 4_765 . ?
S5 Ag5 Ag7 49.69(6) . . ?
O15 Ag5 Ag7 132.66(15) . . ?
Ag4 Ag5 Ag7 59.09(2) . . ?
Ag11 Ag5 Ag7 117.08(3) . . ?
Ag6 Ag5 Ag7 93.50(3) . . ?
O10 Ag6 S2 111.6(2) . . ?
O10 Ag6 S5 98.7(2) . . ?
S2 Ag6 S5 144.23(8) . . ?
O10 Ag6 Ag2 85.17(19) . . ?
S2 Ag6 Ag2 57.05(6) . . ?
S5 Ag6 Ag2 109.51(6) . . ?
O10 Ag6 Ag11 152.67(19) . . ?
S2 Ag6 Ag11 51.99(6) . . ?
S5 Ag6 Ag11 105.41(6) . . ?
Ag2 Ag6 Ag11 98.46(3) . . ?
O10 Ag6 Ag5 133.23(19) . . ?
S2 Ag6 Ag5 110.28(6) . . ?
S5 Ag6 Ag5 53.61(6) . . ?
Ag2 Ag6 Ag5 136.22(3) . . ?
Ag11 Ag6 Ag5 58.42(2) . . ?
O10 Ag6 Ag1 94.92(18) . . ?
S2 Ag6 Ag1 105.92(6) . . ?
S5 Ag6 Ag1 51.13(6) . . ?
Ag2 Ag6 Ag1 58.39(2) . . ?
Ag11 Ag6 Ag1 110.12(3) . . ?
Ag5 Ag6 Ag1 92.84(3) . . ?
S3 Ag7 S5 166.48(9) . . ?
S3 Ag7 O5 98.78(18) . . ?
S5 Ag7 O5 94.54(18) . . ?
S3 Ag7 O1 95.44(16) . 4_765 ?
S5 Ag7 O1 83.27(16) . 4_765 ?
O5 Ag7 O1 104.9(2) . 4_765 ?
S3 Ag7 Ag4 55.28(6) . . ?
S5 Ag7 Ag4 111.20(6) . . ?
O5 Ag7 Ag4 152.21(17) . . ?
O1 Ag7 Ag4 88.86(14) 4_765 . ?
S3 Ag7 Ag5 113.12(7) . . ?
S5 Ag7 Ag5 53.49(6) . . ?
O5 Ag7 Ag5 143.79(18) . . ?
O1 Ag7 Ag5 89.18(15) 4_765 . ?
Ag4 Ag7 Ag5 58.18(2) . . ?
S3 Ag7 Ag8 47.40(6) . 4_765 ?
S5 Ag7 Ag8 142.67(6) . 4_765 ?
O5 Ag7 Ag8 66.92(18) . 4_765 ?
O1 Ag7 Ag8 71.73(16) 4_765 4_765 ?
Ag4 Ag7 Ag8 95.89(3) . 4_765 ?
Ag5 Ag7 Ag8 148.70(3) . 4_765 ?
O9 Ag8 S3 113.1(2) 4_765 4_765 ?
O9 Ag8 S1 104.3(2) 4_765 . ?
S3 Ag8 S1 142.43(8) 4_765 . ?
O9 Ag8 Ag2 116.3(2) 4_765 . ?
S3 Ag8 Ag2 107.97(6) 4_765 . ?
S1 Ag8 Ag2 54.84(6) . . ?
O9 Ag8 Ag3 140.10(18) 4_765 . ?
S3 Ag8 Ag3 48.96(6) 4_765 . ?
S1 Ag8 Ag3 102.30(6) . . ?
Ag2 Ag8 Ag3 59.38(2) . . ?
O9 Ag8 Ag7 113.7(2) 4_765 4_765 ?
S3 Ag8 Ag7 46.75(6) 4_765 4_765 ?
S1 Ag8 Ag7 114.56(6) . 4_765 ?
Ag2 Ag8 Ag7 129.99(3) . 4_765 ?
Ag3 Ag8 Ag7 80.57(3) . 4_765 ?
S1 Ag9 S1 179.88(12) . 4_765 ?
S1 Ag9 Ag1 51.79(6) . . ?
S1 Ag9 Ag1 128.16(6) 4_765 . ?
S1 Ag9 Ag1 128.16(6) . 4_765 ?
S1 Ag9 Ag1 51.79(6) 4_765 4_765 ?
Ag1 Ag9 Ag1 145.37(5) . 4_765 ?
S4 Ag10 S4 174.35(12) 4_765 . ?
S4 Ag10 Ag11 47.60(6) 4_765 . ?
S4 Ag10 Ag11 130.55(6) . . ?
S4 Ag10 Ag11 130.55(6) 4_765 4_765 ?
S4 Ag10 Ag11 47.60(6) . 4_765 ?
Ag11 Ag10 Ag11 151.61(4) . 4_765 ?
S4 Ag11 S2 157.68(8) 4_765 . ?
S4 Ag11 O4 110.13(17) 4_765 5_564 ?
S2 Ag11 O4 91.62(18) . 5_564 ?
S4 Ag11 Ag5 55.02(6) 4_765 . ?
S2 Ag11 Ag5 112.78(6) . . ?
O4 Ag11 Ag5 112.36(17) 5_564 . ?
S4 Ag11 Ag6 114.15(6) 4_765 . ?
S2 Ag11 Ag6 51.65(6) . . ?
O4 Ag11 Ag6 107.20(18) 5_564 . ?
Ag5 Ag11 Ag6 61.26(2) . . ?
S4 Ag11 Ag10 48.64(6) 4_765 . ?
S2 Ag11 Ag10 125.38(6) . . ?
O4 Ag11 Ag10 118.01(18) 5_564 . ?
Ag5 Ag11 Ag10 97.57(2) . . ?
Ag6 Ag11 Ag10 134.73(3) . . ?
C19 S1 Ag9 110.0(3) . . ?
C19 S1 Ag8 114.0(3) . . ?
Ag9 S1 Ag8 106.59(9) . . ?
C19 S1 Ag1 109.1(3) . . ?
Ag9 S1 Ag1 77.14(7) . . ?
Ag8 S1 Ag1 131.75(10) . . ?
C19 S1 Ag2 111.7(3) . . ?
Ag9 S1 Ag2 133.29(10) . . ?
Ag8 S1 Ag2 74.38(7) . . ?
Ag1 S1 Ag2 70.20(6) . . ?
C20 S2 Ag3 120.2(4) . . ?
C20 S2 Ag6 109.0(4) . . ?
Ag3 S2 Ag6 127.88(10) . . ?
C20 S2 Ag11 118.6(3) . . ?
Ag3 S2 Ag11 93.35(8) . . ?
Ag6 S2 Ag11 76.36(7) . . ?
C20 S2 Ag2 111.9(3) . . ?
Ag3 S2 Ag2 76.12(7) . . ?
Ag6 S2 Ag2 70.51(6) . . ?
Ag11 S2 Ag2 126.11(10) . . ?
C14 S3 Ag3 119.6(3) . 4_765 ?
C14 S3 Ag7 119.4(3) . . ?
Ag3 S3 Ag7 120.15(10) 4_765 . ?
C14 S3 Ag8 112.3(4) . 4_765 ?
Ag3 S3 Ag8 81.25(8) 4_765 4_765 ?
Ag7 S3 Ag8 85.84(8) . 4_765 ?
C14 S3 Ag4 108.9(4) . . ?
Ag3 S3 Ag4 78.98(8) 4_765 . ?
Ag7 S3 Ag4 73.71(7) . . ?
Ag8 S3 Ag4 138.77(10) 4_765 . ?
C11 S4 Ag11 109.0(4) . 4_765 ?
C11 S4 Ag4 110.0(4) . 4_765 ?
Ag11 S4 Ag4 133.61(10) 4_765 4_765 ?
C11 S4 Ag10 111.6(3) . . ?
Ag11 S4 Ag10 83.75(7) 4_765 . ?
Ag4 S4 Ag10 104.04(9) 4_765 . ?
C11 S4 Ag5 107.5(3) . 4_765 ?
Ag11 S4 Ag5 73.22(7) 4_765 4_765 ?
Ag4 S4 Ag5 71.90(7) 4_765 4_765 ?
Ag10 S4 Ag5 139.35(10) . 4_765 ?
C23 S5 Ag7 116.1(3) . . ?
C23 S5 Ag1 120.5(3) . . ?
Ag7 S5 Ag1 89.40(8) . . ?
C23 S5 Ag6 108.7(3) . . ?
Ag7 S5 Ag6 133.54(10) . . ?
Ag1 S5 Ag6 77.68(7) . . ?
C23 S5 Ag5 112.7(3) . . ?
Ag7 S5 Ag5 76.82(7) . . ?
Ag1 S5 Ag5 125.64(10) . . ?
Ag6 S5 Ag5 75.46(7) . . ?
O2 Cr1 O2 109.1(5) . 4_765 ?
O2 Cr1 O1 110.5(3) . 4_765 ?
O2 Cr1 O1 109.1(3) 4_765 4_765 ?
O2 Cr1 O1 109.1(3) . . ?
O2 Cr1 O1 110.5(3) 4_765 . ?
O1 Cr1 O1 108.6(5) 4_765 . ?
O4 Cr2 O5 110.2(4) . . ?
O4 Cr2 O3 110.7(4) . . ?
O5 Cr2 O3 110.5(3) . . ?
O4 Cr2 O6 108.4(3) . . ?
O5 Cr2 O6 108.9(3) . . ?
O3 Cr2 O6 108.0(3) . . ?
O7 Cr3 O8 110.7(4) . . ?
O7 Cr3 O9 111.0(4) . . ?
O8 Cr3 O9 109.6(4) . . ?
O7 Cr3 O6 108.8(4) . . ?
O8 Cr3 O6 108.4(3) . . ?
O9 Cr3 O6 108.3(3) . . ?
O15 C1 N2 125.7(10) . . ?
O12 C6 N1 125.2(13) . . ?
O14 C7 O13 131.0(9) . . ?
O14 C7 C8 115.3(10) . . ?
O13 C7 C8 113.7(10) . . ?
F1 C8 F2 102.3(13) . . ?
F1 C8 F3 107.2(12) . . ?
F2 C8 F3 103.0(11) . . ?
F1 C8 C7 112.1(11) . . ?
F2 C8 C7 113.8(11) . . ?
F3 C8 C7 116.9(11) . . ?
O10 C9 O11 133.0(10) . . ?
O10 C9 C10 111.5(9) . . ?
O11 C9 C10 115.4(10) . . ?
F4 C10 F5 107.9(9) . . ?
F4 C10 F6 105.6(9) . . ?
F5 C10 F6 108.5(9) . . ?
F4 C10 C9 113.3(9) . . ?
F5 C10 C9 110.5(9) . . ?
F6 C10 C9 110.8(9) . . ?
C13 C11 C12 112.2(9) . . ?
C13 C11 S4 108.7(7) . . ?
C12 C11 S4 109.7(8) . . ?
C15 C14 C16 112.6(12) . . ?
C15 C14 S3 108.8(8) . . ?
C16 C14 S3 108.8(7) . . ?
C18 C19 C17 112.7(8) . . ?
C18 C19 S1 111.5(7) . . ?
C17 C19 S1 109.8(6) . . ?
C22 C20 C21 115.1(9) . . ?
C22 C20 S2 110.6(7) . . ?
C21 C20 S2 108.6(7) . . ?
C25 C23 C24 113.8(9) . . ?
C25 C23 S5 109.7(7) . . ?
C24 C23 S5 110.6(7) . . ?
Cr1 O1 Ag1 128.7(3) . 4_765 ?
Cr1 O1 Ag7 137.8(3) . 4_765 ?
Ag1 O1 Ag7 84.36(19) 4_765 4_765 ?
Cr1 O2 Ag3 133.9(4) . . ?
Cr2 O3 Ag1 130.2(3) . . ?
Cr2 O4 Ag11 123.9(4) . 6_655 ?
Cr2 O5 Ag7 133.8(4) . . ?
Cr3 O6 Cr2 121.8(4) . . ?
Cr3 O8 Ag4 125.8(4) . 3_775 ?
Cr3 O9 Ag8 126.3(4) . 4_765 ?
C9 O10 Ag6 118.4(7) . . ?
C9 O11 Ag2 124.2(7) . . ?
C6 O12 Ag2 122.2(9) . . ?
C7 O13 Ag4 123.8(6) . . ?
C7 O14 Ag5 120.1(6) . . ?
C1 O15 Ag5 138.5(7) . . ?
C6 N1 C4 122.2(14) . . ?
C6 N1 C5 120.6(12) . . ?
C4 N1 C5 116.1(14) . . ?
C1 N2 C3 121.9(9) . . ?
C1 N2 C2 121.6(9) . . ?
C3 N2 C2 116.4(8) . . ?

_diffrn_measured_fraction_theta_max 0.993
_diffrn_reflns_theta_full        27.51
_diffrn_measured_fraction_theta_full 0.993
_refine_diff_density_max         1.317
_refine_diff_density_min         -1.313
_refine_diff_density_rms         0.236
####################################################################### 
# 
# 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_1
_database_code_depnum_ccdc_archive 'CCDC 1456408'
_audit_update_record             
;
2017-03-04 deposited with the CCDC.
2017-03-20 downloaded from the CCDC.
;
_audit_creation_date             2017-02-28
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.02.23 svn.r3390 for OlexSys, GUI svn.r5320)
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'C276 H312 Ag47 Cr4 F54 O52 S24, 2(C6 H14 N2 O2)'
_chemical_formula_sum            'C288 H340 Ag47 Cr4 F54 N4 O56 S24'
_chemical_formula_weight         11826.95
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cr Cr 0.3209 0.6236 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           70
_space_group_name_H-M_alt        'F d d d'
_space_group_name_Hall           '-F 2uv 2vw'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+3/4, -y+3/4, z'
'-x+3/4, y, -z+3/4'
'x, -y+3/4, -z+3/4'
'x, y+1/2, z+1/2'
'-x+3/4, -y+5/4, z+1/2'
'-x+3/4, y+1/2, -z+5/4'
'x, -y+5/4, -z+5/4'
'x+1/2, y, z+1/2'
'-x+5/4, -y+3/4, z+1/2'
'-x+5/4, y, -z+5/4'
'x+1/2, -y+3/4, -z+5/4'
'x+1/2, y+1/2, z'
'-x+5/4, -y+5/4, z'
'-x+5/4, y+1/2, -z+3/4'
'x+1/2, -y+5/4, -z+3/4'
'-x, -y, -z'
'x-3/4, y-3/4, -z'
'x-3/4, -y, z-3/4'
'-x, y-3/4, z-3/4'
'-x, -y+1/2, -z+1/2'
'x-3/4, y-1/4, -z+1/2'
'x-3/4, -y+1/2, z-1/4'
'-x, y-1/4, z-1/4'
'-x+1/2, -y, -z+1/2'
'x-1/4, y-3/4, -z+1/2'
'x-1/4, -y, z-1/4'
'-x+1/2, y-3/4, z-1/4'
'-x+1/2, -y+1/2, -z'
'x-1/4, y-1/4, -z'
'x-1/4, -y+1/2, z-3/4'
'-x+1/2, y-1/4, z-3/4'

_cell_length_a                   47.992(3)
_cell_length_b                   50.873(3)
_cell_length_c                   64.857(4)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     158350(16)
_cell_formula_units_Z            16
_cell_measurement_reflns_used    9956
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      24.63
_cell_measurement_theta_min      2.22
_shelx_estimated_absorpt_T_max   0.882
_shelx_estimated_absorpt_T_min   0.820
_exptl_absorpt_coefficient_mu    2.577
_exptl_absorpt_correction_T_max  0.8204
_exptl_absorpt_correction_T_min  0.8820
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.984
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             91504
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.05
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1336
_diffrn_reflns_av_unetI/netI     0.1303
_diffrn_reflns_Laue_measured_fraction_full 0.987
_diffrn_reflns_Laue_measured_fraction_max 0.987
_diffrn_reflns_limit_h_max       32
_diffrn_reflns_limit_h_min       -57
_diffrn_reflns_limit_k_max       60
_diffrn_reflns_limit_k_min       -53
_diffrn_reflns_limit_l_max       77
_diffrn_reflns_limit_l_min       -71
_diffrn_reflns_number            153164
_diffrn_reflns_point_group_measured_fraction_full 0.987
_diffrn_reflns_point_group_measured_fraction_max 0.987
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_min         2.047
_diffrn_ambient_temperature      100.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                15796
_reflns_number_total             34435
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.30C (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.30C (?, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    ?
_refine_diff_density_max         3.302
_refine_diff_density_min         -2.970
_refine_diff_density_rms         0.319
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.084
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2313
_refine_ls_number_reflns         34435
_refine_ls_number_restraints     1459
_refine_ls_R_factor_all          0.2393
_refine_ls_R_factor_gt           0.1270
_refine_ls_restrained_S_all      1.069
_refine_ls_shift/su_max          0.080
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1533P)²+33889.8867P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2998
_refine_ls_wR_factor_ref         0.4121
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C125-C126
 1.55 with sigma of 0.01
 C124-C123
 1.55 with sigma of 0.01
 C121-C122
 1.55 with sigma of 0.01
 C128-C127
 1.55 with sigma of 0.01
 C126-O25
 1.25 with sigma of 0.01
 C126-O26
 1.25 with sigma of 0.01
 C127-O27
 1.25 with sigma of 0.01
 C121-O17
 1.25 with sigma of 0.01
 O18-C121
 1.25 with sigma of 0.01
 C129-O12
 1.25 with sigma of 0.02
 C131-O13
 1.25 with sigma of 0.02
 C133-O7
 1.25 with sigma of 0.02
 C133-O8
 1.25 with sigma of 0.02
 C130-C129
 1.55 with sigma of 0.01
 C129-O11
 1.25 with sigma of 0.02
 O11A-C129
 1.25 with sigma of 0.02
 O23-C123
 1.25 with sigma of 0.01
 O9-C136
 1.25 with sigma of 0.01
 O10-C136
 1.25 with sigma of 0.01
 C99-C97
 1.55 with sigma of 0.01
 C97-C100
 1.55 with sigma of 0.01
 C97-C98
 1.55 with sigma of 0.01
 C97-C94
 1.55 with sigma of 0.01
 C100-C98
 2.35 with sigma of 0.01
 C99-C98
 2.35 with sigma of 0.01
 C99-C100
 2.35 with sigma of 0.01
 C97-C93
 2.35 with sigma of 0.01
 C95-C97
 2.35 with sigma of 0.01
 C94-C100
 2.35 with sigma of 0.01
 C70-C68
 2.35 with sigma of 0.01
 C69-C70
 2.35 with sigma of 0.01
 C69-C68
 2.35 with sigma of 0.01
 C70-C67
 1.55 with sigma of 0.01
 C69-C67
 1.55 with sigma of 0.01
 C67-C68
 1.55 with sigma of 0.01
 C135-C136
 1.55 with sigma of 0.01
 C127-O28
 1.25 with sigma of 0.01
 C8-C10
 2.35 with sigma of 0.01
 F21-C124
 1.45 with sigma of 0.01
 C124-F19
 1.45 with sigma of 0.01
 C124-F20
 1.45 with sigma of 0.01
 F16-C122
 1.45 with sigma of 0.01
 F18-C122
 1.45 with sigma of 0.01
 C122-F17
 1.45 with sigma of 0.01
 F21-F19
 2.35 with sigma of 0.01
 F19-F20
 2.35 with sigma of 0.01
 F21-F20
 2.35 with sigma of 0.01
 F21-C123
 2.35 with sigma of 0.01
 C123-F20
 2.35 with sigma of 0.01
 F19-C123
 2.35 with sigma of 0.01
 F2-F3
 2.35 with sigma of 0.01
 F1-F2
 2.35 with sigma of 0.01
 F3-F1
 2.35 with sigma of 0.01
 F2-C129
 2.35 with sigma of 0.01
 F3-C129
 2.35 with sigma of 0.01
 C129-F1
 2.35 with sigma of 0.01
 F5-F4
 2.35 with sigma of 0.01
 F6-F5
 2.35 with sigma of 0.01
 F6-F4
 2.35 with sigma of 0.01
 F8-C135
 1.45 with sigma of 0.01
 C135-F9
 1.45 with sigma of 0.01
 F9-F8
 2.35 with sigma of 0.01
 F7-F9
 2.35 with sigma of 0.01
 F7-F8
 2.35 with sigma of 0.01
 F8-C136
 2.35 with sigma of 0.01
 C136-F7
 2.35 with sigma of 0.01
 F9-C136
 2.35 with sigma of 0.01
 C132-C131
 1.55 with sigma of 0.01
 F12-C131
 2.35 with sigma of 0.01
 F10-C131
 2.35 with sigma of 0.01
 F11-C131
 2.35 with sigma of 0.01
 F11-F12
 2.35 with sigma of 0.01
 F11-F10
 2.35 with sigma of 0.01
 F10-F12
 2.35 with sigma of 0.01
 C125-F14
 1.45 with sigma of 0.01
 F15-C125
 1.45 with sigma of 0.01
 F13-C125
 1.45 with sigma of 0.01
 F15-C126
 2.35 with sigma of 0.01
 F14-C126
 2.35 with sigma of 0.01
 F13-C126
 2.35 with sigma of 0.01
 F15-F13
 2.35 with sigma of 0.01
 F15-F14
 2.35 with sigma of 0.01
 F13-F14
 2.35 with sigma of 0.01
 O30-O29
 2.2 with sigma of 0.01
 C150-N2
 1.55 with sigma of 0.01
 N2-C149
 1.55 with sigma of 0.01
 C143-C142
 2.35 with sigma of 0.01
 C142-O16
 1.25 with sigma of 0.01
 N3-C142
 1.55 with sigma of 0.01
 C144-N3
 1.55 with sigma of 0.01
 C143-N3
 1.55 with sigma of 0.01
 C138-C137
 1.55 with sigma of 0.01
 F23-C137
 2.35 with sigma of 0.01
 F22-C137
 2.35 with sigma of 0.01
 F23-F22
 2.35 with sigma of 0.01
 F24-C138
 1.45 with sigma of 0.01
 F23-C138
 1.45 with sigma of 0.01
 C138-F22
 1.45 with sigma of 0.01
 C137-O5
 1.25 with sigma of 0.01
 C137-O6
 1.25 with sigma of 0.01
 C152-F29
 1.45 with sigma of 0.01
 F30-C152
 1.45 with sigma of 0.01
 C152-F28
 1.45 with sigma of 0.01
 F29-F30
 2.35 with sigma of 0.01
 F30-F28
 2.35 with sigma of 0.01
 F29-F28
 2.35 with sigma of 0.01
 C151-F29
 2.35 with sigma of 0.01
 C151-F30
 2.35 with sigma of 0.01
 C151-F28
 2.35 with sigma of 0.01
 O29-C151
 1.25 with sigma of 0.01
 C151-O30
 1.25 with sigma of 0.01
 O29-C152
 2.35 with sigma of 0.01
 O2-O3
 2.4 with sigma of 0.01
 O20-Cr2
 1.55 with sigma of 0.01
 O19-O20
 2.4 with sigma of 0.01
 O20-O21
 2.4 with sigma of 0.01
 O22A-Cr2
 1.55 with sigma of 0.01
 O22-O20
 1.55 with sigma of 0.01
 O22-O22A
 1.55 with sigma of 0.01
 O22A-O21A
 1.55 with sigma of 0.01
 O21A-O21
 1.55 with sigma of 0.01
 O21-O20A
 1.55 with sigma of 0.01
 O20A-O20
 1.55 with sigma of 0.01
 O21A-Cr2
 1.55 with sigma of 0.01
 O2A-O1
 1.55 with sigma of 0.01
 C9-C10
 2.35 with sigma of 0.01
 C9-C8
 2.35 with sigma of 0.01
3. Restrained planarity
 C148, C149, C150, N2
 with sigma of 0.001
 C142, C143, C144, N3, O16
 with sigma of 0.001
 C137, C138, O5, O6
 with sigma of 0.001
 O20, O20A, O21, O21A, O22
 with sigma of 0.001
 O1A, O1, O2A, O2, O3A, O3
 with sigma of 0.001
4. Rigid bond restraints
 Ag27, O6
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 C17, C19
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 F2, C130
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 C97, C99
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
5. Uiso/Uaniso restraints and constraints
Cr2 \\sim O19 \\sim O20 \\sim O21 \\sim O22: within 1.7A with sigma of 0.001
and sigma for terminal atoms of 0.08
Cr1 \\sim O1A \\sim O2 \\sim O3 \\sim O4: within 1.7A with sigma of 0.001 and
sigma for terminal atoms of 0.08
O22A \\sim O22 \\sim O19 \\sim O20 \\sim O20A \\sim O21 \\sim O21A \\sim O3A
\\sim O3 \\sim O1A \\sim O1 \\sim O2A \\sim O2 \\sim O4: within 1.7A with sigma
of 0.005 and sigma for terminal atoms of 0.08
C61 \\sim C62 \\sim C63 \\sim C64 \\sim C65 \\sim C66 \\sim C67 \\sim C68 \\sim
C69 \\sim C70 \\sim C71 \\sim C72 \\sim C73 \\sim C74 \\sim C75 \\sim C76 \\sim
C77 \\sim C78 \\sim C79 \\sim C80 \\sim C81 \\sim C82 \\sim C83 \\sim C84 \\sim
C85 \\sim C86 \\sim C87 \\sim C88 \\sim C89 \\sim C90 \\sim C91 \\sim C92 \\sim
C93 \\sim C94 \\sim C95 \\sim C96 \\sim C97 \\sim C98 \\sim C99 \\sim C100
\\sim C101 \\sim C102 \\sim C103 \\sim C104 \\sim C105 \\sim C106 \\sim C107
\\sim C108 \\sim C109 \\sim C110 \\sim C111 \\sim C112 \\sim C113 \\sim C114
\\sim C115 \\sim C116 \\sim C117 \\sim C118 \\sim C119 \\sim C120 \\sim C129
\\sim C130 \\sim C131 \\sim C132 \\sim C133 \\sim C134 \\sim C135 \\sim C136
\\sim C142 \\sim C143 \\sim C144 \\sim C151 \\sim C152 \\sim C2 \\sim C3 \\sim
C4 \\sim C5 \\sim C6 \\sim C1 \\sim C7 \\sim C8 \\sim C9 \\sim C10 \\sim C11
\\sim C12 \\sim C13 \\sim C14 \\sim C15 \\sim C16 \\sim C17 \\sim C18 \\sim C19
\\sim C20 \\sim C21 \\sim C22 \\sim C23 \\sim C24 \\sim C25 \\sim C26 \\sim C27
\\sim C28 \\sim C29 \\sim C30 \\sim C31 \\sim C32 \\sim C33 \\sim C34 \\sim C35
\\sim C36 \\sim C37 \\sim C38 \\sim C39 \\sim C40 \\sim C41 \\sim C42 \\sim C43
\\sim C44 \\sim C45 \\sim C46 \\sim C47 \\sim C48 \\sim C49 \\sim C50 \\sim C51
\\sim C52 \\sim C53 \\sim C54 \\sim C55 \\sim C56 \\sim C57 \\sim C58 \\sim C59
\\sim C60 \\sim C121 \\sim C122 \\sim C123 \\sim C124 \\sim C125 \\sim C126
\\sim C127 \\sim C128 \\sim C137 \\sim C138 \\sim C139 \\sim C140 \\sim C141
\\sim C148 \\sim C149 \\sim C150 \\sim C145 \\sim C146 \\sim C147 \\sim O1A
\\sim O2 \\sim O3 \\sim O4 \\sim O7 \\sim O8 \\sim O9 \\sim O10 \\sim O11 \\sim
O11A \\sim O12 \\sim O13 \\sim O14 \\sim O14A \\sim O16 \\sim O29 \\sim O30
\\sim O5 \\sim O6 \\sim O17 \\sim O18 \\sim O19 \\sim O20 \\sim O21 \\sim O22
\\sim O23 \\sim O24 \\sim O24A \\sim O25 \\sim O26 \\sim O27 \\sim O28 \\sim
O28A \\sim O15 \\sim O32 \\sim O31 \\sim O2A \\sim O3A \\sim O20A \\sim O21A
\\sim O1 \\sim O22A \\sim F1 \\sim F2 \\sim F3 \\sim F4 \\sim F5 \\sim F6 \\sim
F7 \\sim F8 \\sim F9 \\sim F10 \\sim F11 \\sim F12 \\sim F28 \\sim F29 \\sim
F30 \\sim F13 \\sim F14 \\sim F15 \\sim F16 \\sim F17 \\sim F18 \\sim F19 \\sim
F20 \\sim F21 \\sim F22 \\sim F23 \\sim F24 \\sim F25 \\sim F25A \\sim F26
\\sim F26A \\sim F27 \\sim F27A \\sim N3 \\sim N4 \\sim N2 \\sim N1: within
1.7A with sigma of 0.01 and sigma for terminal atoms of 0.08
6. Others
 Fixed Sof: C142(0.5) H142(0.5) C143(0.5) H14A(0.5) H14B(0.5) H14C(0.5)
 C144(0.5) H14D(0.5) H14E(0.5) H14F(0.5) C151(0.5) C152(0.5) F28(0.5) F29(0.5)
 F30(0.5) O1A(0.5) O2(0.5) O3(0.1) O11(0.5) O11A(0.5) O14(0.5) O14A(0.5)
 O29(0.5) O30(0.5) C137(0.5) C138(0.5) F23(0.5) F24(0.5) F25(0.5) F25A(0.5)
 F26(0.5) F26A(0.5) F27(0.5) F27A(0.5) O5(0.5) O6(0.5) O20(0.2) O21(0.5)
 O22(0.8) O24(0.5) O24A(0.5) O28(0.5) O28A(0.5) C139(0.5) H13A(0.5) C140(0.5)
 H13B(0.5) H14G(0.5) H14H(0.5) C141(0.5) H141(0.5) H14I(0.5) H14J(0.5)
 C148(0.5) H148(0.5) C149(0.5) H14K(0.5) H14L(0.5) H14M(0.5) C150(0.5)
 H150(0.5) H14N(0.5) H14O(0.5) C145(0.5) H145(0.5) C146(0.5) H14P(0.5)
 H14Q(0.5) H14R(0.5) C147(0.5) H14S(0.5) H14T(0.5) H14U(0.5) O2A(0.5) O3A(0.9)
 O20A(0.8) O21A(0.5) O1(0.5) O22A(0.2)
7.a Riding coordinates:
 C142(H142), C143(H14A,H14B,H14C), C144(H14D,H14E,H14F), C139(H13A), C140(H13B,
 H14G,H14H), C141(H141,H14I,H14J), C148(H148), C149(H14K,H14L,H14M), C150(H150,
 H14N,H14O), C145(H145), C146(H14P,H14Q,H14R), C147(H14S,H14T,H14U)
7.b Me refined with riding coordinates:
 C90(H90A,H90B,H90C), C108(H10G,H10H,H10I), C118(H11D,H11E,H11F), C8(H8A,H8B,
 H8C), C9(H9A,H9B,H9C), C49(H49A,H49B,H49C)
7.c Aromatic/amide H refined with riding coordinates:
 C62(H62), C63(H63), C65(H65), C66(H66), C72(H72), C73(H73), C75(H75),
 C76(H76), C82(H82), C83(H83), C85(H85), C86(H86), C92(H92), C93(H93), C95(H95),
  C96(H96), C102(H102), C103(H103), C105(H105), C106(H106), C112(H112),
 C113(H113), C115(H115), C116(H116), C2(H2), C3(H3), C5(H5), C6(H6), C12(H12),
 C13(H13), C15(H15), C16(H16), C22(H22), C23(H23), C25(H25), C26(H26), C32(H32),
  C33(H33), C35(H35), C36(H36), C42(H42), C43(H43), C45(H45), C46(H46),
 C52(H52), C53(H53), C55(H55), C56(H56)
7.d Fitted hexagon refined as free rotating group:
 C2(C3,C4,C5,C6,C1)
7.e Idealised Me refined as rotating group:
 C68(H68A,H68B,H68C), C69(H69A,H69B,H69C), C70(H70A,H70B,H70C), C78(H78A,H78B,
 H78C), C79(H79A,H79B,H79C), C80(H80A,H80B,H80C), C88(H88A,H88B,H88C), C89(H89A,
 H89B,H89C), C98(H98A,H98B,H98C), C99(H99A,H99B,H99C), C100(H10D,H10E,H10F),
 C109(H10J,H10K,H10L), C110(H11A,H11B,H11C), C119(H11G,H11H,H11I), C120(H12A,
 H12B,H12C), C10(H10A,H10B,H10C), C18(H18A,H18B,H18C), C19(H19A,H19B,H19C),
 C20(H20A,H20B,H20C), C28(H28A,H28B,H28C), C29(H29A,H29B,H29C), C30(H30A,H30B,
 H30C), C38(H38A,H38B,H38C), C39(H39A,H39B,H39C), C40(H40A,H40B,H40C), C48(H48A,
 H48B,H48C), C50(H50A,H50B,H50C), C58(H58A,H58B,H58C), C59(H59A,H59B,H59C),
 C60(H60A,H60B,H60C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.625000 0.125000 0.625000 0.0758(16) Uani 1 4 d S T P . .
Ag2 Ag 0.625000 0.20862(6) 0.625000 0.0530(8) Uani 1 2 d S T P . .
Ag3 Ag 0.66868(5) 0.16427(4) 0.65228(3) 0.0555(6) Uani 1 1 d . . . . .
Ag4 Ag 0.71426(6) 0.21567(5) 0.62144(3) 0.0682(7) Uani 1 1 d . . . . .
Ag5 Ag 0.71725(7) 0.125000 0.625000 0.0526(8) Uani 1 2 d S T P . .
Ag6 Ag 0.74975(6) 0.17014(5) 0.60732(3) 0.0656(7) Uani 1 1 d . . . . .
Ag7 Ag 0.73732(6) 0.21510(5) 0.57799(3) 0.0687(7) Uani 1 1 d . . . . .
Ag8 Ag 0.71806(7) 0.13040(6) 0.56251(5) 0.0923(10) Uani 1 1 d . . . . .
Ag9 Ag 0.71716(6) 0.18094(6) 0.53999(4) 0.0767(8) Uani 1 1 d . . . . .
Ag10 Ag 0.66849(5) 0.14369(4) 0.53596(3) 0.0545(6) Uani 1 1 d . . . . .
Ag11 Ag 0.625000 0.125000 0.56430(4) 0.0520(8) Uani 1 2 d S T P . .
Ag12 Ag 0.68525(6) 0.23055(5) 0.55243(3) 0.0674(7) Uani 1 1 d . . . . .
Ag13 Ag 0.62693(6) 0.20727(7) 0.55431(4) 0.0849(9) Uani 1 1 d . . . . .
Ag14 Ag 0.64609(6) 0.23911(5) 0.58960(3) 0.0724(8) Uani 1 1 d . . . . .
C61 C 0.5769(7) 0.2342(5) 0.5871(4) 0.060(5) Uani 1 1 d . U . . .
C62 C 0.5647(7) 0.2393(6) 0.5684(4) 0.068(5) Uani 1 1 d . U . . .
H62 H 0.570017 0.230019 0.556325 0.082 Uiso 1 1 calc R . . . .
C63 C 0.5438(8) 0.2588(6) 0.5678(4) 0.068(5) Uani 1 1 d . U . . .
H63 H 0.534660 0.262498 0.555134 0.082 Uiso 1 1 calc R . . . .
C64 C 0.5364(8) 0.2724(6) 0.5849(4) 0.071(5) Uani 1 1 d . U . . .
C65 C 0.5486(7) 0.2662(6) 0.6035(4) 0.065(5) Uani 1 1 d . U . . .
H65 H 0.542125 0.274661 0.615659 0.079 Uiso 1 1 calc R . . . .
C66 C 0.5693(7) 0.2483(5) 0.6051(4) 0.064(5) Uani 1 1 d . U . . .
H66 H 0.578598 0.245389 0.617803 0.076 Uiso 1 1 calc R . . . .
C67 C 0.5145(6) 0.2915(4) 0.5835(4) 0.078(6) Uani 1 1 d D U . . .
C68 C 0.4863(7) 0.2842(7) 0.5737(5) 0.124(16) Uani 1 1 d D U . . .
H68A H 0.486201 0.265420 0.570287 0.186 Uiso 1 1 calc GR . . . .
H68B H 0.483427 0.294535 0.561172 0.186 Uiso 1 1 calc GR . . . .
H68C H 0.471245 0.287891 0.583543 0.186 Uiso 1 1 calc GR . . . .
C69 C 0.5040(8) 0.3061(7) 0.6029(3) 0.117(15) Uani 1 1 d D U . . .
H69A H 0.492262 0.294356 0.611058 0.175 Uiso 1 1 calc GR . . . .
H69B H 0.493194 0.321576 0.598710 0.175 Uiso 1 1 calc GR . . . .
H69C H 0.520025 0.311779 0.611184 0.175 Uiso 1 1 calc GR . . . .
C70 C 0.5222(8) 0.3154(6) 0.5699(5) 0.139(18) Uani 1 1 d D U . . .
H70A H 0.541198 0.321024 0.573117 0.208 Uiso 1 1 calc GR . . . .
H70B H 0.509182 0.329803 0.572705 0.208 Uiso 1 1 calc GR . . . .
H70C H 0.520971 0.310382 0.555365 0.208 Uiso 1 1 calc GR . . . .
C71 C 0.6776(7) 0.0807(6) 0.5424(4) 0.060(5) Uani 1 1 d . U . . .
C72 C 0.7033(7) 0.0689(6) 0.5414(4) 0.066(5) Uani 1 1 d . U . . .
H72 H 0.717793 0.073274 0.550774 0.079 Uiso 1 1 calc R . . . .
C73 C 0.7071(8) 0.0495(6) 0.5254(5) 0.069(5) Uani 1 1 d . U . . .
H73 H 0.725003 0.042171 0.522921 0.083 Uiso 1 1 calc R . . . .
C74 C 0.6847(8) 0.0415(7) 0.5136(5) 0.073(5) Uani 1 1 d . U . . .
C75 C 0.6598(7) 0.0546(6) 0.5163(4) 0.068(5) Uani 1 1 d . U . . .
H75 H 0.644792 0.050224 0.507371 0.081 Uiso 1 1 calc R . . . .
C76 C 0.6552(7) 0.0731(6) 0.5309(4) 0.062(5) Uani 1 1 d . U . . .
H76 H 0.637206 0.080517 0.532979 0.074 Uiso 1 1 calc R . . . .
C77 C 0.6900(9) 0.0226(7) 0.4948(5) 0.081(6) Uani 1 1 d . U . . .
C78 C 0.6803(12) 0.0372(11) 0.4748(6) 0.15(2) Uani 1 1 d . U . . .
H78A H 0.659991 0.036241 0.473646 0.228 Uiso 1 1 calc GR . . . .
H78B H 0.688820 0.028800 0.462706 0.228 Uiso 1 1 calc GR . . . .
H78C H 0.686146 0.055618 0.475451 0.228 Uiso 1 1 calc GR . . . .
C79 C 0.7220(11) 0.0160(10) 0.4931(8) 0.140(18) Uani 1 1 d . U . . .
H79A H 0.732937 0.031793 0.496004 0.210 Uiso 1 1 calc GR . . . .
H79B H 0.726182 0.009739 0.479134 0.210 Uiso 1 1 calc GR . . . .
H79C H 0.726780 0.002226 0.503091 0.210 Uiso 1 1 calc GR . . . .
C80 C 0.6738(11) -0.0028(8) 0.5035(8) 0.137(18) Uani 1 1 d . U . . .
H80A H 0.670118 -0.015024 0.492096 0.206 Uiso 1 1 calc GR . . . .
H80B H 0.656145 0.002647 0.509696 0.206 Uiso 1 1 calc GR . . . .
H80C H 0.685346 -0.011574 0.513880 0.206 Uiso 1 1 calc GR . . . .
C81 C 0.6662(8) 0.2007(6) 0.5046(4) 0.077(5) Uani 1 1 d . U . . .
C82 C 0.6588(8) 0.2256(7) 0.4981(4) 0.082(6) Uani 1 1 d . U . . .
H82 H 0.655695 0.238819 0.508155 0.098 Uiso 1 1 calc R . . . .
C83 C 0.6558(9) 0.2317(7) 0.4781(5) 0.087(6) Uani 1 1 d . U . . .
H83 H 0.649480 0.248674 0.474085 0.104 Uiso 1 1 calc R . . . .
C84 C 0.6625(9) 0.2123(7) 0.4628(4) 0.084(5) Uani 1 1 d . U . . .
C85 C 0.6673(8) 0.1876(7) 0.4696(4) 0.080(5) Uani 1 1 d . U . . .
H85 H 0.669086 0.174214 0.459485 0.096 Uiso 1 1 calc R . . . .
C86 C 0.6697(8) 0.1803(7) 0.4899(4) 0.076(5) Uani 1 1 d . U . . .
H86 H 0.673452 0.162717 0.493901 0.091 Uiso 1 1 calc R . . . .
C87 C 0.6571(10) 0.2158(8) 0.4393(5) 0.089(6) Uani 1 1 d . U . . .
C88 C 0.6497(11) 0.2454(7) 0.4349(5) 0.114(15) Uani 1 1 d . U . . .
H88A H 0.633416 0.250433 0.443122 0.172 Uiso 1 1 calc GR . . . .
H88B H 0.645442 0.247576 0.420217 0.172 Uiso 1 1 calc GR . . . .
H88C H 0.665556 0.256523 0.438604 0.172 Uiso 1 1 calc GR . . . .
C89 C 0.6832(10) 0.2094(11) 0.4275(6) 0.133(17) Uani 1 1 d . U . . .
H89A H 0.694428 0.196885 0.435451 0.199 Uiso 1 1 calc GR . . . .
H89B H 0.693864 0.225490 0.425191 0.199 Uiso 1 1 calc GR . . . .
H89C H 0.678162 0.201521 0.414220 0.199 Uiso 1 1 calc GR . . . .
C90 C 0.6336(10) 0.2010(10) 0.4302(6) 0.121(15) Uani 1 1 d . U . . .
H90A H 0.616431 0.205004 0.437803 0.182 Uiso 1 1 calc R . . . .
H90B H 0.631289 0.205995 0.415727 0.182 Uiso 1 1 calc R . . . .
H90C H 0.637372 0.182065 0.431097 0.182 Uiso 1 1 calc R . . . .
C91 C 0.7839(8) 0.1690(7) 0.5591(5) 0.080(6) Uani 1 1 d . U . . .
C92 C 0.7889(8) 0.1561(7) 0.5408(5) 0.082(6) Uani 1 1 d . U . . .
H92 H 0.774484 0.148169 0.532928 0.099 Uiso 1 1 calc R . . . .
C93 C 0.8204(5) 0.1554(8) 0.5337(5) 0.087(6) Uani 1 1 d D U . . .
H93 H 0.825404 0.146896 0.521229 0.104 Uiso 1 1 calc R . . . .
C94 C 0.8366(5) 0.1648(8) 0.5433(5) 0.091(5) Uani 1 1 d D U . . .
C95 C 0.8325(6) 0.1787(8) 0.5618(5) 0.088(6) Uani 1 1 d D U . . .
H95 H 0.847512 0.186938 0.568849 0.106 Uiso 1 1 calc R . . . .
C96 C 0.8058(8) 0.1798(8) 0.5690(5) 0.083(6) Uani 1 1 d . U . . .
H96 H 0.802486 0.188640 0.581629 0.100 Uiso 1 1 calc R . . . .
C97 C 0.8672(4) 0.1688(6) 0.5374(4) 0.100(7) Uani 1 1 d D U . . .
C98 C 0.8874(10) 0.1563(10) 0.5531(6) 0.18(2) Uani 1 1 d D U . . .
H98A H 0.890217 0.137706 0.549645 0.266 Uiso 1 1 calc GR . . . .
H98B H 0.879530 0.157671 0.566997 0.266 Uiso 1 1 calc GR . . . .
H98C H 0.905347 0.165480 0.552631 0.266 Uiso 1 1 calc GR . . . .
C99 C 0.8858(11) 0.1913(7) 0.5295(7) 0.20(2) Uani 1 1 d D U . . .
H99A H 0.875933 0.201036 0.518696 0.300 Uiso 1 1 calc GR . . . .
H99B H 0.903080 0.183989 0.523845 0.300 Uiso 1 1 calc GR . . . .
H99C H 0.890239 0.203199 0.540920 0.300 Uiso 1 1 calc GR . . . .
C100 C 0.8702(7) 0.1492(7) 0.5196(5) 0.127(16) Uani 1 1 d D U . . .
H10D H 0.867154 0.131298 0.524833 0.191 Uiso 1 1 calc GR . . . .
H10E H 0.888908 0.150497 0.513746 0.191 Uiso 1 1 calc GR . . . .
H10F H 0.856309 0.153126 0.508981 0.191 Uiso 1 1 calc GR . . . .
C101 C 0.7446(7) 0.1748(6) 0.6593(4) 0.064(5) Uani 1 1 d . U . . .
C102 C 0.7485(7) 0.2005(6) 0.6679(4) 0.065(5) Uani 1 1 d . U . . .
H102 H 0.738364 0.215244 0.662844 0.078 Uiso 1 1 calc R . . . .
C103 C 0.7680(7) 0.2030(6) 0.6841(4) 0.064(5) Uani 1 1 d . U . . .
H103 H 0.772203 0.219802 0.689621 0.077 Uiso 1 1 calc R . . . .
C104 C 0.7803(8) 0.1816(7) 0.6915(5) 0.072(5) Uani 1 1 d . U . . .
C105 C 0.7775(7) 0.1570(7) 0.6834(5) 0.072(5) Uani 1 1 d . U . . .
H105 H 0.788075 0.142676 0.688502 0.086 Uiso 1 1 calc R . . . .
C106 C 0.7589(7) 0.1538(6) 0.6677(4) 0.068(5) Uani 1 1 d . U . . .
H106 H 0.755698 0.136605 0.662406 0.082 Uiso 1 1 calc R . . . .
C107 C 0.8033(8) 0.1839(7) 0.7106(5) 0.075(6) Uani 1 1 d . U . . .
C108 C 0.8043(9) 0.2125(8) 0.7169(6) 0.102(13) Uani 1 1 d . U . . .
H10G H 0.785422 0.218751 0.719847 0.154 Uiso 1 1 calc R . . . .
H10H H 0.815855 0.214397 0.729336 0.154 Uiso 1 1 calc R . . . .
H10I H 0.812406 0.222958 0.705730 0.154 Uiso 1 1 calc R . . . .
C109 C 0.7907(8) 0.1695(7) 0.7293(5) 0.088(11) Uani 1 1 d . U . . .
H10J H 0.774164 0.178985 0.734084 0.132 Uiso 1 1 calc GR . . . .
H10K H 0.804453 0.168565 0.740385 0.132 Uiso 1 1 calc GR . . . .
H10L H 0.785331 0.151616 0.725158 0.132 Uiso 1 1 calc GR . . . .
C110 C 0.8307(9) 0.1742(10) 0.7063(8) 0.120(16) Uani 1 1 d . U . . .
H11A H 0.831743 0.155556 0.710002 0.180 Uiso 1 1 calc GR . . . .
H11B H 0.844412 0.184130 0.714318 0.180 Uiso 1 1 calc GR . . . .
H11C H 0.834643 0.176259 0.691548 0.180 Uiso 1 1 calc GR . . . .
C111 C 0.7062(9) 0.2762(7) 0.5899(5) 0.076(6) Uani 1 1 d . U . . .
C112 C 0.6892(9) 0.2952(7) 0.5900(5) 0.084(6) Uani 1 1 d . U . . .
H112 H 0.670193 0.290280 0.588438 0.101 Uiso 1 1 calc R . . . .
C113 C 0.6936(9) 0.3227(7) 0.5919(5) 0.087(6) Uani 1 1 d . U . . .
H113 H 0.679163 0.335230 0.593716 0.104 Uiso 1 1 calc R . . . .
C114 C 0.7224(9) 0.3291(7) 0.5907(5) 0.085(5) Uani 1 1 d . U . . .
C115 C 0.7415(9) 0.3103(6) 0.5903(5) 0.080(6) Uani 1 1 d . U . . .
H115 H 0.760668 0.314999 0.590277 0.096 Uiso 1 1 calc R . . . .
C116 C 0.7341(8) 0.2829(6) 0.5898(5) 0.075(6) Uani 1 1 d . U . . .
H116 H 0.748116 0.269744 0.589311 0.090 Uiso 1 1 calc R . . . .
C117 C 0.7299(10) 0.3606(7) 0.5915(6) 0.090(7) Uani 1 1 d . U . . .
C118 C 0.7047(13) 0.3781(10) 0.5973(10) 0.16(2) Uani 1 1 d . U . . .
H11D H 0.689760 0.375531 0.587183 0.247 Uiso 1 1 calc R . . . .
H11E H 0.697882 0.373141 0.611042 0.247 Uiso 1 1 calc R . . . .
H11F H 0.710371 0.396553 0.597396 0.247 Uiso 1 1 calc R . . . .
C119 C 0.7511(12) 0.3651(8) 0.6069(7) 0.130(17) Uani 1 1 d . U . . .
H11G H 0.742551 0.365171 0.620642 0.195 Uiso 1 1 calc GR . . . .
H11H H 0.760059 0.382110 0.604379 0.195 Uiso 1 1 calc GR . . . .
H11I H 0.765082 0.351097 0.606185 0.195 Uiso 1 1 calc GR . . . .
C120 C 0.7374(14) 0.3706(10) 0.5705(7) 0.16(2) Uani 1 1 d . U . . .
H12A H 0.757696 0.370613 0.568932 0.233 Uiso 1 1 calc GR . . . .
H12B H 0.730340 0.388600 0.568891 0.233 Uiso 1 1 calc GR . . . .
H12C H 0.729023 0.359277 0.560009 0.233 Uiso 1 1 calc GR . . . .
C129 C 0.6290(8) 0.2739(4) 0.5496(5) 0.149(9) Uani 1 1 d D U . . .
C130 C 0.6194(14) 0.3002(8) 0.5397(10) 0.153(9) Uani 1 1 d D U . . .
C131 C 0.7191(4) 0.1259(5) 0.5064(3) 0.076(5) Uani 1 1 d D U . . .
C132 C 0.7340(7) 0.1150(7) 0.4871(4) 0.077(6) Uani 1 1 d D U . . .
C133 C 0.7772(8) 0.2327(10) 0.6177(4) 0.114(7) Uani 1 1 d D U . . .
C134 C 0.8079(11) 0.2418(11) 0.6252(6) 0.114(8) Uani 1 1 d . U . . .
C135 C 0.7799(7) 0.2393(6) 0.5219(5) 0.199(12) Uani 1 1 d D U . . .
C136 C 0.7540(9) 0.2238(8) 0.5293(6) 0.192(11) Uani 1 1 d D U . . .
C142 C 0.6166(3) 0.2868(8) 0.6151(3) 0.150(14) Uiso 0.5 1 d D U . . .
H142 H 0.604767 0.285538 0.603214 0.180 Uiso 0.5 1 d R . . . .
C143 C 0.6115(3) 0.3321(9) 0.6091(3) 0.155(16) Uiso 0.5 1 d D U . . .
H14A H 0.615018 0.350110 0.612670 0.233 Uiso 0.5 1 d R . . . .
H14B H 0.618138 0.328790 0.595400 0.233 Uiso 0.5 1 d R . . . .
H14C H 0.591798 0.328790 0.609690 0.233 Uiso 0.5 1 d R . . . .
C144 C 0.6080(3) 0.318(2) 0.6050(3) 0.154(16) Uiso 0.5 1 d D U . . .
H14D H 0.605871 0.336293 0.602879 0.231 Uiso 0.5 1 d R . . . .
H14E H 0.616331 0.309973 0.592999 0.231 Uiso 0.5 1 d R . . . .
H14F H 0.590011 0.309943 0.607309 0.231 Uiso 0.5 1 d R . . . .
C151 C 0.8059(14) 0.1594(15) 0.6238(15) 0.26(3) Uiso 0.5 1 d D U . . .
C152 C 0.8333(12) 0.1529(11) 0.6302(9) 0.27(3) Uiso 0.5 1 d D U . . .
Cr1 Cr 0.66548(11) 0.16385(9) 0.59719(6) 0.0567(12) Uani 1 1 d . U . . .
F1 F 0.5945(7) 0.3058(7) 0.5442(7) 0.28(2) Uani 1 1 d D U . . .
F2 F 0.6238(9) 0.2936(7) 0.5169(4) 0.226(17) Uani 1 1 d D U . . .
F3 F 0.6417(8) 0.3180(5) 0.5444(5) 0.216(17) Uani 1 1 d D U . . .
F4 F 0.8058(6) 0.2702(4) 0.6253(4) 0.148(10) Uani 1 1 d D U . . .
F5 F 0.8090(5) 0.2330(5) 0.6465(2) 0.150(11) Uani 1 1 d D U . . .
F6 F 0.8298(5) 0.2328(5) 0.6140(3) 0.133(10) Uani 1 1 d D U . . .
F7 F 0.7733(9) 0.2531(9) 0.5052(7) 0.29(2) Uani 1 1 d D U . . .
F8 F 0.8007(9) 0.2191(8) 0.5189(7) 0.29(2) Uani 1 1 d D U . . .
F9 F 0.7876(11) 0.2547(10) 0.5398(7) 0.37(3) Uani 1 1 d D U . . .
F10 F 0.7190(5) 0.1292(5) 0.4702(3) 0.136(10) Uani 1 1 d D U . . .
F11 F 0.7254(5) 0.0883(3) 0.4859(3) 0.140(10) Uani 1 1 d D U . . .
F12 F 0.7606(3) 0.1201(5) 0.4875(3) 0.140(10) Uani 1 1 d D U . . .
F28 F 0.8324(18) 0.1338(15) 0.6467(11) 0.27(3) Uiso 0.5 1 d D U . . .
F29 F 0.8488(17) 0.1419(18) 0.6131(10) 0.27(3) Uiso 0.5 1 d D U . . .
F30 F 0.8477(17) 0.1761(13) 0.6374(15) 0.33(5) Uiso 0.5 1 d D U . . .
N3 N 0.625000 0.3134(9) 0.625000 0.151(14) Uiso 1 2 d DS TU P . .
O1A O 0.66552(17) 0.18307(15) 0.6177(5) 0.0570(13) Uani 0.5 1 d . U . . .
O2 O 0.6445(3) 0.1604(3) 0.5804(5) 0.0572(13) Uani 0.5 1 d D U . . .
O3 O 0.6776(4) 0.1911(3) 0.5944(11) 0.0570(13) Uani 0.1 1 d D U . . .
O4 O 0.6863(4) 0.1384(4) 0.5988(2) 0.0573(13) Uani 1 1 d . U . . .
O7 O 0.7759(6) 0.2268(7) 0.5990(4) 0.121(7) Uani 1 1 d D U . . .
O8 O 0.7561(6) 0.2393(6) 0.6277(4) 0.111(7) Uani 1 1 d D U . . .
O9 O 0.7524(11) 0.2366(8) 0.5458(5) 0.189(11) Uani 1 1 d D U . . .
O10 O 0.7483(11) 0.2039(7) 0.5188(6) 0.186(11) Uani 1 1 d D U . . .
O11 O 0.6523(10) 0.2653(11) 0.5441(12) 0.145(10) Uani 0.5 1 d D U . . .
O11A O 0.6240(15) 0.2525(8) 0.5410(10) 0.144(10) Uani 0.5 1 d D U . . .
O12 O 0.6258(8) 0.2737(6) 0.5691(5) 0.150(9) Uani 1 1 d D U . . .
O13 O 0.6933(4) 0.1237(4) 0.5086(3) 0.070(5) Uani 1 1 d D U . . .
O14 O 0.7327(10) 0.1447(10) 0.5142(7) 0.078(6) Uani 0.5 1 d . U . . .
O14A O 0.7381(10) 0.1257(10) 0.5229(7) 0.077(6) Uani 0.5 1 d . U . . .
O16 O 0.625000 0.2672(9) 0.625000 0.148(14) Uiso 1 2 d DS TU P . .
O29 O 0.7900(14) 0.1432(18) 0.6152(18) 0.26(3) Uiso 0.5 1 d D U . . .
O30 O 0.802(3) 0.1837(15) 0.623(2) 0.34(6) Uiso 0.5 1 d D U . . .
S1 S 0.67400(19) 0.10652(14) 0.56149(10) 0.061(2) Uani 1 1 d . . . . .
S2 S 0.72026(18) 0.17114(14) 0.63850(9) 0.0557(19) Uani 1 1 d . . . . .
S3 S 0.74890(18) 0.16792(16) 0.56939(11) 0.063(2) Uani 1 1 d . . . . .
S4 S 0.66793(16) 0.19239(14) 0.53174(9) 0.0495(17) Uani 1 1 d . . . . .
S5 S 0.60409(18) 0.21062(14) 0.58898(10) 0.0559(19) Uani 1 1 d . . . . .
S6 S 0.69724(18) 0.24232(14) 0.58963(10) 0.057(2) Uani 1 1 d . . . . .
Ag15 Ag 0.625000 0.625000 0.625000 0.0729(14) Uani 1 4 d S T P . .
Ag16 Ag 0.67093(5) 0.58778(4) 0.59678(3) 0.0481(5) Uani 1 1 d . . . . .
Ag17 Ag 0.625000 0.625000 0.56205(4) 0.0474(7) Uani 1 2 d S T P . .
Ag18 Ag 0.60885(5) 0.58220(4) 0.53463(3) 0.0532(6) Uani 1 1 d . . . . .
Ag19 Ag 0.62574(7) 0.53854(6) 0.56313(5) 0.0930(10) Uani 1 1 d . . . . .
Ag20 Ag 0.57198(6) 0.53486(4) 0.53983(3) 0.0628(7) Uani 1 1 d . . . . .
Ag21 Ag 0.53749(6) 0.51536(5) 0.57662(3) 0.0628(6) Uani 1 1 d . . . . .
Ag22 Ag 0.51830(5) 0.56287(4) 0.55058(3) 0.0576(6) Uani 1 1 d . . . . .
Ag23 Ag 0.53435(6) 0.54372(6) 0.61659(4) 0.0839(9) Uani 1 1 d . . . . .
Ag24 Ag 0.58340(5) 0.50816(4) 0.60911(3) 0.0507(6) Uani 1 1 d . . . . .
Ag25 Ag 0.625000 0.54412(5) 0.625000 0.0432(7) Uani 1 2 d S T P . .
Ag26 Ag 0.53350(7) 0.625000 0.625000 0.0480(7) Uani 1 2 d S T P . .
Ag27 Ag 0.50185(5) 0.59952(4) 0.58712(3) 0.0597(6) Uani 1 1 d . U . . .
Ag28 Ag 0.53615(5) 0.62117(4) 0.55268(3) 0.0569(6) Uani 1 1 d . . . . .
C2 C 0.5693(4) 0.5805(6) 0.4887(3) 0.099(6) Uani 1 1 d . U . . .
H2 H 0.588017 0.576874 0.492376 0.119 Uiso 1 1 calc R . . . .
C3 C 0.5622(5) 0.5841(6) 0.4681(3) 0.102(6) Uani 1 1 d G U . . .
H3 H 0.576131 0.582965 0.457713 0.122 Uiso 1 1 calc R . . . .
C4 C 0.5347(5) 0.5894(6) 0.4627(2) 0.102(6) Uani 1 1 d G U . . .
C5 C 0.5144(4) 0.5911(6) 0.4778(3) 0.102(6) Uani 1 1 d G U . . .
H5 H 0.495602 0.594754 0.474108 0.122 Uiso 1 1 calc R . . . .
C6 C 0.5214(4) 0.5875(6) 0.4984(3) 0.098(6) Uani 1 1 d G U . . .
H6 H 0.507488 0.588664 0.508771 0.117 Uiso 1 1 calc R . . . .
C1 C 0.5489(5) 0.5822(6) 0.5038(2) 0.095(6) Uani 1 1 d G U . . .
C7 C 0.5287(10) 0.5956(10) 0.4398(5) 0.104(7) Uani 1 1 d . U . . .
C8 C 0.5462(11) 0.6178(10) 0.4307(6) 0.20(2) Uani 1 1 d D U . . .
H8A H 0.566024 0.614001 0.432901 0.300 Uiso 1 1 calc R . . . .
H8B H 0.542501 0.619194 0.415893 0.300 Uiso 1 1 calc R . . . .
H8C H 0.541400 0.634394 0.437481 0.300 Uiso 1 1 calc R . . . .
C9 C 0.5354(10) 0.5730(8) 0.4269(5) 0.15(2) Uani 1 1 d D U . . .
H9A H 0.554623 0.567492 0.429482 0.232 Uiso 1 1 calc R . . . .
H9B H 0.522701 0.558443 0.430173 0.232 Uiso 1 1 calc R . . . .
H9C H 0.533251 0.577789 0.412350 0.232 Uiso 1 1 calc R . . . .
C10 C 0.5003(9) 0.6032(10) 0.4357(6) 0.17(2) Uani 1 1 d D U . . .
H10A H 0.489442 0.587691 0.431814 0.250 Uiso 1 1 calc GR . . . .
H10B H 0.499951 0.616034 0.424457 0.250 Uiso 1 1 calc GR . . . .
H10C H 0.492216 0.611124 0.448148 0.250 Uiso 1 1 calc GR . . . .
C11 C 0.4700(8) 0.5351(7) 0.5861(6) 0.080(6) Uani 1 1 d . U . . .
C12 C 0.4670(8) 0.5090(7) 0.5906(6) 0.080(6) Uani 1 1 d . U . . .
H12 H 0.482636 0.498968 0.594954 0.096 Uiso 1 1 calc R . . . .
C13 C 0.4412(8) 0.4973(7) 0.5889(6) 0.083(6) Uani 1 1 d . U . . .
H13 H 0.439635 0.478884 0.590909 0.100 Uiso 1 1 calc R . . . .
C14 C 0.4181(8) 0.5112(7) 0.5845(6) 0.085(5) Uani 1 1 d . U . . .
C15 C 0.4195(8) 0.5376(7) 0.5800(6) 0.085(6) Uani 1 1 d . U . . .
H15 H 0.403468 0.547555 0.576495 0.102 Uiso 1 1 calc R . . . .
C16 C 0.4472(8) 0.5493(7) 0.5811(6) 0.084(6) Uani 1 1 d . U . . .
H16 H 0.449258 0.567472 0.578149 0.100 Uiso 1 1 calc R . . . .
C17 C 0.3883(8) 0.4971(8) 0.5831(7) 0.087(6) Uani 1 1 d . U . . .
C18 C 0.3802(9) 0.4890(8) 0.6046(7) 0.105(13) Uani 1 1 d . U . . .
H18A H 0.392932 0.475254 0.609448 0.158 Uiso 1 1 calc GR . . . .
H18B H 0.361098 0.482187 0.604509 0.158 Uiso 1 1 calc GR . . . .
H18C H 0.381326 0.504221 0.613787 0.158 Uiso 1 1 calc GR . . . .
C19 C 0.3919(9) 0.4722(10) 0.5675(8) 0.126(14) Uani 1 1 d . U . . .
H19A H 0.401609 0.477957 0.555015 0.189 Uiso 1 1 calc GR . . . .
H19B H 0.373521 0.465307 0.563870 0.189 Uiso 1 1 calc GR . . . .
H19C H 0.402819 0.458462 0.574360 0.189 Uiso 1 1 calc GR . . . .
C20 C 0.3672(10) 0.5124(10) 0.5729(8) 0.133(17) Uani 1 1 d . U . . .
H20A H 0.354116 0.519259 0.583148 0.199 Uiso 1 1 calc GR . . . .
H20B H 0.357193 0.501258 0.563041 0.199 Uiso 1 1 calc GR . . . .
H20C H 0.375993 0.527041 0.565555 0.199 Uiso 1 1 calc GR . . . .
C21 C 0.6768(7) 0.5774(6) 0.5416(4) 0.059(5) Uani 1 1 d . U . . .
C22 C 0.6922(7) 0.5538(6) 0.5420(4) 0.062(5) Uani 1 1 d . U . . .
H22 H 0.688139 0.539846 0.551220 0.074 Uiso 1 1 calc R . . . .
C23 C 0.7138(7) 0.5525(6) 0.5278(4) 0.061(5) Uani 1 1 d . U . . .
H23 H 0.724261 0.536599 0.527254 0.073 Uiso 1 1 calc R . . . .
C24 C 0.7211(7) 0.5715(6) 0.5149(4) 0.066(4) Uani 1 1 d . U . . .
C25 C 0.7048(7) 0.5950(6) 0.5153(4) 0.061(5) Uani 1 1 d . U . . .
H25 H 0.708931 0.609132 0.506303 0.073 Uiso 1 1 calc R . . . .
C26 C 0.6840(7) 0.5968(6) 0.5284(4) 0.061(5) Uani 1 1 d . U . . .
H26 H 0.673451 0.612554 0.528529 0.073 Uiso 1 1 calc R . . . .
C27 C 0.7478(8) 0.5676(7) 0.5002(4) 0.070(6) Uani 1 1 d . U . . .
C28 C 0.7381(10) 0.5442(8) 0.4860(5) 0.107(14) Uani 1 1 d . U . . .
H28A H 0.729529 0.530459 0.494534 0.160 Uiso 1 1 calc GR . . . .
H28B H 0.754176 0.536913 0.478704 0.160 Uiso 1 1 calc GR . . . .
H28C H 0.724402 0.550649 0.475996 0.160 Uiso 1 1 calc GR . . . .
C29 C 0.7519(10) 0.5916(8) 0.4869(6) 0.108(14) Uani 1 1 d . U . . .
H29A H 0.734103 0.600731 0.485210 0.161 Uiso 1 1 calc GR . . . .
H29B H 0.758893 0.586177 0.473292 0.161 Uiso 1 1 calc GR . . . .
H29C H 0.765442 0.603360 0.493384 0.161 Uiso 1 1 calc GR . . . .
C30 C 0.7729(9) 0.5609(8) 0.5119(6) 0.098(12) Uani 1 1 d . U . . .
H30A H 0.779309 0.576371 0.519583 0.146 Uiso 1 1 calc GR . . . .
H30B H 0.787595 0.555159 0.502424 0.146 Uiso 1 1 calc GR . . . .
H30C H 0.768685 0.546667 0.521625 0.146 Uiso 1 1 calc GR . . . .
C31 C 0.6826(7) 0.5170(6) 0.5917(4) 0.057(5) Uani 1 1 d . U . . .
C32 C 0.6644(7) 0.5015(6) 0.5844(4) 0.062(5) Uani 1 1 d . U . . .
H32 H 0.645503 0.502959 0.588687 0.074 Uiso 1 1 calc R . . . .
C33 C 0.6721(7) 0.4820(6) 0.5699(4) 0.064(5) Uani 1 1 d . U . . .
H33 H 0.658000 0.470583 0.564863 0.077 Uiso 1 1 calc R . . . .
C34 C 0.6980(8) 0.4788(6) 0.5630(4) 0.066(5) Uani 1 1 d . U . . .
C35 C 0.7182(7) 0.4961(6) 0.5700(4) 0.061(5) Uani 1 1 d . U . . .
H35 H 0.736868 0.495197 0.565195 0.073 Uiso 1 1 calc R . . . .
C36 C 0.7097(7) 0.5152(6) 0.5846(4) 0.058(5) Uani 1 1 d . U . . .
H36 H 0.723129 0.527285 0.589678 0.070 Uiso 1 1 calc R . . . .
C37 C 0.7085(9) 0.4578(7) 0.5472(5) 0.076(6) Uani 1 1 d . U . . .
C38 C 0.6909(12) 0.4338(9) 0.5493(8) 0.138(18) Uani 1 1 d . U . . .
H38A H 0.685002 0.431851 0.563684 0.208 Uiso 1 1 calc GR . . . .
H38B H 0.701739 0.418337 0.545161 0.208 Uiso 1 1 calc GR . . . .
H38C H 0.674475 0.435419 0.540439 0.208 Uiso 1 1 calc GR . . . .
C39 C 0.7378(10) 0.4476(9) 0.5524(6) 0.122(16) Uani 1 1 d . U . . .
H39A H 0.744313 0.455810 0.565200 0.183 Uiso 1 1 calc GR . . . .
H39B H 0.750610 0.452029 0.541151 0.183 Uiso 1 1 calc GR . . . .
H39C H 0.737172 0.428496 0.554160 0.183 Uiso 1 1 calc GR . . . .
C40 C 0.7107(13) 0.4692(9) 0.5262(6) 0.153(19) Uani 1 1 d . U . . .
H40A H 0.692045 0.473663 0.521174 0.229 Uiso 1 1 calc GR . . . .
H40B H 0.719228 0.456260 0.516947 0.229 Uiso 1 1 calc GR . . . .
H40C H 0.722238 0.485036 0.526662 0.229 Uiso 1 1 calc GR . . . .
C41 C 0.5946(8) 0.4749(6) 0.5631(4) 0.076(5) Uani 1 1 d . U . . .
C42 C 0.6057(8) 0.4680(7) 0.5445(5) 0.081(6) Uani 1 1 d . U . . .
H42 H 0.611868 0.481373 0.535323 0.097 Uiso 1 1 calc R . . . .
C43 C 0.6082(9) 0.4420(7) 0.5389(5) 0.084(6) Uani 1 1 d . U . . .
H43 H 0.615053 0.437983 0.525577 0.101 Uiso 1 1 calc R . . . .
C44 C 0.6009(9) 0.4209(7) 0.5523(5) 0.088(5) Uani 1 1 d . U . . .
C45 C 0.5905(9) 0.4274(7) 0.5700(5) 0.086(6) Uani 1 1 d . U . . .
H45 H 0.584530 0.414013 0.579207 0.103 Uiso 1 1 calc R . . . .
C46 C 0.5878(8) 0.4547(6) 0.5763(5) 0.080(6) Uani 1 1 d . U . . .
H46 H 0.581228 0.458758 0.589724 0.097 Uiso 1 1 calc R . . . .
C47 C 0.6048(10) 0.3917(7) 0.5465(6) 0.092(7) Uani 1 1 d . U . . .
C48 C 0.6249(11) 0.3789(8) 0.5637(7) 0.125(16) Uani 1 1 d . U . . .
H48A H 0.642034 0.389245 0.564727 0.188 Uiso 1 1 calc GR . . . .
H48B H 0.629425 0.360815 0.559776 0.188 Uiso 1 1 calc GR . . . .
H48C H 0.615302 0.378906 0.577047 0.188 Uiso 1 1 calc GR . . . .
C49 C 0.6213(13) 0.3888(9) 0.5259(8) 0.16(2) Uani 1 1 d . U . . .
H49A H 0.639120 0.397998 0.526992 0.234 Uiso 1 1 calc R . . . .
H49B H 0.624615 0.370114 0.523084 0.234 Uiso 1 1 calc R . . . .
H49C H 0.610360 0.396398 0.514568 0.234 Uiso 1 1 calc R . . . .
C50 C 0.5781(12) 0.3785(9) 0.5459(9) 0.136(18) Uani 1 1 d . U . . .
H50A H 0.573704 0.371573 0.559573 0.204 Uiso 1 1 calc GR . . . .
H50B H 0.578933 0.363974 0.535944 0.204 Uiso 1 1 calc GR . . . .
H50C H 0.563670 0.390985 0.541633 0.204 Uiso 1 1 calc GR . . . .
C51 C 0.7483(7) 0.5840(6) 0.5889(4) 0.055(5) Uani 1 1 d . U . . .
C52 C 0.7581(7) 0.5751(6) 0.6068(4) 0.058(5) Uani 1 1 d . U . . .
H52 H 0.751980 0.583016 0.619236 0.070 Uiso 1 1 calc R . . . .
C53 C 0.7773(7) 0.5545(6) 0.6076(4) 0.059(5) Uani 1 1 d . U . . .
H53 H 0.784370 0.548106 0.620296 0.071 Uiso 1 1 calc R . . . .
C54 C 0.7855(7) 0.5438(6) 0.5891(4) 0.061(4) Uani 1 1 d . U . . .
C55 C 0.7750(6) 0.5535(6) 0.5707(4) 0.058(5) Uani 1 1 d . U . . .
H55 H 0.781242 0.546362 0.557956 0.070 Uiso 1 1 calc R . . . .
C56 C 0.7562(6) 0.5729(6) 0.5707(4) 0.057(5) Uani 1 1 d . U . . .
H56 H 0.748305 0.578817 0.558117 0.068 Uiso 1 1 calc R . . . .
C57 C 0.8079(7) 0.5210(6) 0.5900(4) 0.063(5) Uani 1 1 d . U . . .
C58 C 0.8346(10) 0.5308(10) 0.5994(6) 0.120(15) Uani 1 1 d . U . . .
H58A H 0.840760 0.546637 0.592092 0.180 Uiso 1 1 calc GR . . . .
H58B H 0.848922 0.517170 0.598268 0.180 Uiso 1 1 calc GR . . . .
H58C H 0.831453 0.535000 0.613958 0.180 Uiso 1 1 calc GR . . . .
C59 C 0.8166(10) 0.5125(8) 0.5687(6) 0.121(16) Uani 1 1 d . U . . .
H59A H 0.805927 0.496949 0.564622 0.182 Uiso 1 1 calc GR . . . .
H59B H 0.836545 0.508265 0.568713 0.182 Uiso 1 1 calc GR . . . .
H59C H 0.813092 0.526789 0.558888 0.182 Uiso 1 1 calc GR . . . .
C60 C 0.7962(9) 0.4974(7) 0.6023(5) 0.092(12) Uani 1 1 d . U . . .
H60A H 0.793371 0.502550 0.616723 0.138 Uiso 1 1 calc GR . . . .
H60B H 0.809414 0.482720 0.601690 0.138 Uiso 1 1 calc GR . . . .
H60C H 0.778345 0.491888 0.596345 0.138 Uiso 1 1 calc GR . . . .
C121 C 0.4753(8) 0.6076(7) 0.5403(7) 0.131(8) Uani 1 1 d D U . . .
C122 C 0.4476(6) 0.6102(7) 0.5284(5) 0.134(9) Uani 1 1 d D U . . .
C123 C 0.5316(4) 0.4697(4) 0.6172(4) 0.094(6) Uani 1 1 d D U . . .
C124 C 0.5155(4) 0.4459(3) 0.6250(3) 0.098(7) Uani 1 1 d D U . . .
C125 C 0.5330(9) 0.4559(8) 0.5241(7) 0.31(2) Uiso 1 1 d D U . . .
C126 C 0.5386(16) 0.4831(10) 0.5331(10) 0.30(2) Uiso 1 1 d D U . . .
C127 C 0.6315(8) 0.5342(5) 0.5089(5) 0.089(5) Uani 1 1 d D U . . .
C128 C 0.6481(10) 0.5221(9) 0.4908(5) 0.097(5) Uani 1 1 d D U . . .
C137 C 0.4433(5) 0.61958(16) 0.5995(7) 0.175(14) Uani 0.5 1 d D U . . .
C138 C 0.4126(5) 0.6278(4) 0.60289(19) 0.189(14) Uani 0.5 1 d D U . . .
Cr2 Cr 0.58415(11) 0.58945(8) 0.59541(6) 0.0539(11) Uani 1 1 d D U . . .
F13 F 0.5296(16) 0.4386(11) 0.5412(9) 0.46(4) Uiso 1 1 d D U . . .
F14 F 0.5083(11) 0.4582(15) 0.5121(10) 0.42(4) Uiso 1 1 d D U . . .
F15 F 0.5566(11) 0.4493(12) 0.5119(9) 0.38(3) Uiso 1 1 d D U . . .
F16 F 0.4237(5) 0.5965(6) 0.5365(5) 0.149(11) Uani 1 1 d D U . . .
F17 F 0.4382(6) 0.6371(7) 0.5268(8) 0.215(17) Uani 1 1 d D U . . .
F18 F 0.4503(7) 0.6057(10) 0.5065(5) 0.215(17) Uani 1 1 d D U . . .
F19 F 0.5219(5) 0.4430(4) 0.6462(2) 0.166(13) Uani 1 1 d D U . . .
F20 F 0.4868(3) 0.4514(5) 0.6218(4) 0.147(10) Uani 1 1 d D U . . .
F21 F 0.5246(5) 0.4240(3) 0.6133(3) 0.132(9) Uani 1 1 d D U . . .
F22 F 0.4088(8) 0.625000 0.625000 0.199(14) Uani 1 2 d DS TU P . .
F23 F 0.4129(9) 0.6556(5) 0.5980(5) 0.28(3) Uani 0.5 1 d D U . . .
F24 F 0.4015(15) 0.6140(17) 0.5851(9) 0.23(3) Uani 0.5 1 d D U . . .
F25 F 0.6414(10) 0.4931(9) 0.4931(7) 0.098(6) Uani 0.5 1 d . U . . .
F25A F 0.6354(10) 0.5025(10) 0.4816(7) 0.098(6) Uani 0.5 1 d . U . . .
F26 F 0.6356(11) 0.5264(10) 0.4738(6) 0.100(6) Uani 0.5 1 d . U . . .
F26A F 0.6589(11) 0.5386(9) 0.4774(6) 0.098(6) Uani 0.5 1 d . U . . .
F27 F 0.6734(11) 0.5214(10) 0.4888(7) 0.100(6) Uani 0.5 1 d . U . . .
F27A F 0.6720(11) 0.5127(10) 0.4998(7) 0.101(6) Uani 0.5 1 d . U . . .
O5 O 0.4554(12) 0.6162(5) 0.5828(8) 0.175(14) Uani 0.5 1 d D U . . .
O6 O 0.4635(9) 0.6143(4) 0.6109(9) 0.164(14) Uani 0.5 1 d D U . . .
O17 O 0.4921(6) 0.6257(6) 0.5366(4) 0.119(8) Uani 1 1 d D U . . .
O18 O 0.4773(7) 0.5830(7) 0.5410(6) 0.144(9) Uani 1 1 d D U . . .
O19 O 0.5842(4) 0.6104(3) 0.5785(2) 0.0549(13) Uani 1 1 d D U . . .
O20 O 0.5555(2) 0.57637(16) 0.59317(19) 0.0542(12) Uani 0.2 1 d D U . . .
O21 O 0.6048(3) 0.56832(16) 0.59619(19) 0.0544(13) Uani 0.5 1 d D U . . .
O22 O 0.5636(5) 0.5892(2) 0.6141(2) 0.0542(12) Uani 0.8 1 d D U . . .
O23 O 0.5567(4) 0.4731(5) 0.6212(4) 0.090(6) Uani 1 1 d D U . . .
O24 O 0.5151(11) 0.4928(10) 0.6209(9) 0.098(8) Uani 0.5 1 d . U . . .
O24A O 0.5226(10) 0.4783(9) 0.5976(8) 0.087(7) Uani 0.5 1 d . U . . .
O25 O 0.5226(12) 0.4820(12) 0.5483(9) 0.24(2) Uiso 1 1 d D U . . .
O26 O 0.5505(15) 0.4996(13) 0.5217(10) 0.29(2) Uiso 1 1 d D U . . .
O27 O 0.6304(5) 0.5586(5) 0.5080(3) 0.085(5) Uani 1 1 d D U . . .
O28 O 0.6101(8) 0.5228(9) 0.5153(7) 0.088(6) Uani 0.5 1 d D U . . .
O28A O 0.6405(11) 0.5166(10) 0.5257(7) 0.087(6) Uani 0.5 1 d . U . . .
S7 S 0.72040(16) 0.60886(14) 0.58890(9) 0.0507(18) Uani 1 1 d . . . . .
S8 S 0.67447(15) 0.54008(13) 0.61152(9) 0.0442(16) Uani 1 1 d . . . . .
S9 S 0.64833(16) 0.58087(14) 0.56005(10) 0.0502(17) Uani 1 1 d . . . . .
S10 S 0.58861(17) 0.50728(12) 0.57090(9) 0.0490(18) Uani 1 1 d . . . . .
S11 S 0.55765(16) 0.58123(12) 0.53082(9) 0.0482(17) Uani 1 1 d . . . . .
S12 S 0.50349(17) 0.55054(15) 0.58662(10) 0.0548(19) Uani 1 1 d . . . . .
C139 C 0.6354(13) 0.1188(12) 0.4980(8) 0.062(6) Uani 0.5 1 d . U . . .
H13A H 0.652918 0.109697 0.498290 0.075 Uiso 0.5 1 d R . . . .
C140 C 0.6466(13) 0.1010(12) 0.4770(8) 0.062(7) Uani 0.5 1 d . U . . .
H13B H 0.649998 0.092917 0.490109 0.093 Uiso 0.5 1 d R . . . .
H14G H 0.638948 0.088257 0.467659 0.093 Uiso 0.5 1 d R . . . .
H14H H 0.663798 0.107657 0.471489 0.093 Uiso 0.5 1 d R . . . .
C141 C 0.6388(13) 0.1143(12) 0.4592(8) 0.063(7) Uani 0.5 1 d . U . . .
H141 H 0.632966 0.124693 0.447627 0.095 Uiso 0.5 1 d R . . . .
H14I H 0.658636 0.115693 0.460817 0.095 Uiso 0.5 1 d R . . . .
H14J H 0.633776 0.096303 0.456987 0.095 Uiso 0.5 1 d R . . . .
N4 N 0.625000 0.125000 0.4801(5) 0.063(6) Uani 1 2 d S TU P . .
O15 O 0.625000 0.125000 0.5143(4) 0.060(6) Uani 1 2 d S TU P . .
C148 C 0.6332(6) 0.6142(8) 0.4964(10) 0.106(9) Uani 0.5 1 d . U . . .
H148 H 0.645134 0.599001 0.496707 0.127 Uiso 0.5 1 d R . . . .
C149 C 0.6414(4) 0.6023(5) 0.4679(8) 0.114(10) Uani 0.5 1 d D U . . .
H14K H 0.649553 0.591788 0.478599 0.172 Uiso 0.5 1 d R . . . .
H14L H 0.629263 0.591618 0.459639 0.172 Uiso 0.5 1 d R . . . .
H14M H 0.655923 0.609408 0.459339 0.172 Uiso 0.5 1 d R . . . .
C150 C 0.6344(4) 0.6117(5) 0.4577(6) 0.113(10) Uani 0.5 1 d D U . . .
H150 H 0.627242 0.620960 0.445943 0.170 Uiso 0.5 1 d R . . . .
H14N H 0.654372 0.611740 0.457303 0.170 Uiso 0.5 1 d R . . . .
H14O H 0.627692 0.593980 0.457603 0.170 Uiso 0.5 1 d R . . . .
N2 N 0.625000 0.625000 0.4781(5) 0.112(10) Uani 1 2 d DS TU P . .
O32 O 0.625000 0.625000 0.5133(4) 0.101(9) Uani 1 2 d S TU P . .
C145 C 0.6338(16) 0.4579(11) 0.6197(11) 0.077(7) Uani 0.5 1 d . U . . .
H145 H 0.649852 0.458092 0.610791 0.092 Uiso 0.5 1 d R . . . .
C146 C 0.6411(16) 0.4122(12) 0.6199(11) 0.081(9) Uani 0.5 1 d . U . . .
H14P H 0.653736 0.416849 0.609054 0.121 Uiso 0.5 1 d R . . . .
H14Q H 0.651466 0.406929 0.631854 0.121 Uiso 0.5 1 d R . . . .
H14R H 0.629356 0.398049 0.615494 0.121 Uiso 0.5 1 d R . . . .
C147 C 0.6057(16) 0.4330(13) 0.6416(11) 0.085(9) Uani 0.5 1 d . U . . .
H14S H 0.596259 0.449570 0.643031 0.127 Uiso 0.5 1 d R . . . .
H14T H 0.592439 0.419660 0.637981 0.127 Uiso 0.5 1 d R . . . .
H14U H 0.614539 0.428520 0.654351 0.127 Uiso 0.5 1 d R . . . .
N1 N 0.625000 0.4352(7) 0.625000 0.082(7) Uani 1 2 d S TU P . .
O31 O 0.625000 0.4802(5) 0.625000 0.074(7) Uani 1 2 d S TU P . .
O2A O 0.63156(17) 0.15073(15) 0.5962(4) 0.061(3) Uani 0.5 1 d D U . . .
O3A O 0.6692(3) 0.1817(3) 0.5766(3) 0.063(2) Uani 0.9 1 d . U . . .
O20A O 0.5799(3) 0.56314(14) 0.58135(16) 0.061(2) Uani 0.8 1 d D U . . .
O21A O 0.5987(5) 0.5836(2) 0.61633(17) 0.060(3) Uani 0.5 1 d D U . . .
O1 O 0.64119(13) 0.16159(11) 0.6175(4) 0.062(3) Uani 0.5 1 d D U . . .
O22A O 0.5860(4) 0.6111(3) 0.6122(3) 0.057(3) Uani 0.2 1 d D 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 O2A 2.30(2) . ?
Ag1 O2A 2.30(2) 8_545 ?
Ag1 O2A 2.30(2) 14_545 ?
Ag1 O2A 2.30(2) 11 ?
Ag1 O1 2.075(8) 14_545 ?
Ag1 O1 2.075(8) . ?
Ag1 O1 2.075(8) 11 ?
Ag1 O1 2.075(8) 8_545 ?
Ag2 Ag14 2.950(3) 11 ?
Ag2 Ag14 2.950(3) . ?
Ag2 O1A 2.386(10) . ?
Ag2 O1A 2.386(10) 11 ?
Ag2 S5 2.545(7) 11 ?
Ag2 S5 2.545(7) . ?
Ag2 O1 2.562(7) . ?
Ag2 O1 2.562(7) 11 ?
Ag3 O1A 2.44(3) . ?
Ag3 S1 2.590(7) 8_545 ?
Ag3 S2 2.655(8) . ?
Ag3 S5 2.659(8) 11 ?
Ag3 O2A 2.509(8) 11 ?
Ag4 Ag6 3.017(4) . ?
Ag4 Ag7 3.027(3) . ?
Ag4 O8 2.37(3) . ?
Ag4 S2 2.538(8) . ?
Ag4 S6 2.600(8) . ?
Ag5 Ag6 3.003(3) . ?
Ag5 Ag6 3.003(3) 8_545 ?
Ag5 O4 2.359(19) 8_545 ?
Ag5 O4 2.359(19) . ?
Ag5 S2 2.509(7) 8_545 ?
Ag5 S2 2.509(7) . ?
Ag6 Ag7 3.035(3) . ?
Ag6 O29 2.42(7) . ?
Ag6 S2 2.468(7) . ?
Ag6 S3 2.463(7) . ?
Ag7 Ag9 3.167(4) . ?
Ag7 Ag12 3.100(4) . ?
Ag7 O7 2.38(3) . ?
Ag7 O9 2.47(3) . ?
Ag7 S3 2.526(8) . ?
Ag7 S6 2.488(9) . ?
Ag8 Ag9 2.958(4) . ?
Ag8 Ag10 3.014(4) . ?
Ag8 S1 2.440(9) . ?
Ag8 S3 2.456(9) . ?
Ag9 Ag10 3.019(4) . ?
Ag9 Ag12 3.061(4) . ?
Ag9 O10 2.34(4) . ?
Ag9 O14 2.60(5) . ?
Ag9 S3 2.529(9) . ?
Ag9 S4 2.491(8) . ?
Ag10 Ag11 2.939(3) . ?
Ag10 O13 2.37(2) . ?
Ag10 S1 2.527(7) . ?
Ag10 S4 2.493(7) . ?
Ag11 O2 2.28(2) 14_545 ?
Ag11 O2 2.28(2) . ?
Ag11 S1 2.539(9) 14_545 ?
Ag11 S1 2.539(9) . ?
Ag11 O2A 2.47(2) 14_545 ?
Ag11 O2A 2.47(2) . ?
Ag12 Ag13 3.041(4) . ?
Ag12 Ag14 3.088(3) . ?
Ag12 O11 2.43(5) . ?
Ag12 S4 2.502(7) . ?
Ag12 S6 2.552(7) . ?
Ag13 Ag14 2.951(3) . ?
Ag13 C76 2.66(3) 14_545 ?
Ag13 O11A 2.46(6) . ?
Ag13 S4 2.567(7) . ?
Ag13 S5 2.507(7) . ?
Ag14 O12 2.41(3) . ?
Ag14 S5 2.483(9) . ?
Ag14 S6 2.460(9) . ?
C61 C62 1.37(4) . ?
C61 C66 1.42(4) . ?
C61 S5 1.77(3) . ?
C62 C63 1.41(4) . ?
C63 C64 1.35(4) . ?
C64 C65 1.38(4) . ?
C64 C67 1.44(4) . ?
C65 C66 1.35(4) . ?
C67 C68 1.542(10) . ?
C67 C69 1.544(10) . ?
C67 C70 1.542(10) . ?
C71 C72 1.37(4) . ?
C71 C76 1.37(4) . ?
C71 S1 1.82(3) . ?
C72 C73 1.45(4) . ?
C73 C74 1.38(5) . ?
C74 C75 1.38(4) . ?
C74 C77 1.58(4) . ?
C75 C76 1.35(4) . ?
C77 C78 1.57(6) . ?
C77 C79 1.58(6) . ?
C77 C80 1.61(6) . ?
C81 C82 1.38(4) . ?
C81 C86 1.41(4) . ?
C81 S4 1.81(3) . ?
C82 C83 1.34(4) . ?
C83 C84 1.44(5) . ?
C84 C85 1.35(4) . ?
C84 C87 1.56(4) . ?
C85 C86 1.38(4) . ?
C87 C88 1.57(5) . ?
C87 C89 1.50(5) . ?
C87 C90 1.48(6) . ?
C91 C92 1.38(4) . ?
C91 C96 1.35(5) . ?
C91 S3 1.81(4) . ?
C92 C93 1.58(4) . ?
C93 C94 1.11(3) . ?
C94 C95 1.40(4) . ?
C94 C97 1.531(10) . ?
C95 C96 1.37(4) . ?
C97 C98 1.545(10) . ?
C97 C99 1.539(10) . ?
C97 C100 1.532(10) . ?
C101 C102 1.43(4) . ?
C101 C106 1.38(4) . ?
C101 S2 1.79(3) . ?
C102 C103 1.41(4) . ?
C103 C104 1.33(4) . ?
C104 C105 1.36(4) . ?
C104 C107 1.67(5) . ?
C105 C106 1.36(4) . ?
C107 C108 1.51(5) . ?
C107 C109 1.54(4) . ?
C107 C110 1.43(5) . ?
C111 C112 1.27(5) . ?
C111 C116 1.38(5) . ?
C111 S6 1.78(3) . ?
C112 C113 1.42(5) . ?
C113 C114 1.42(5) . ?
C114 C115 1.33(5) . ?
C114 C117 1.64(5) . ?
C115 C116 1.43(4) . ?
C117 C118 1.55(7) . ?
C117 C119 1.44(6) . ?
C117 C120 1.50(6) . ?
C129 C130 1.551(10) . ?
C129 O11 1.25(2) . ?
C129 O11A 1.25(2) . ?
C129 O12 1.274(19) . ?
C130 F1 1.26(6) . ?
C130 F2 1.53(7) . ?
C130 F3 1.44(7) . ?
C131 C132 1.547(10) . ?
C131 O13 1.251(17) . ?
C131 O14 1.26(5) . ?
C131 O14A 1.41(5) . ?
C132 F10 1.50(4) . ?
C132 F11 1.42(4) . ?
C132 F12 1.30(4) . ?
C133 C134 1.62(6) . ?
C133 O7 1.247(19) . ?
C133 O8 1.252(19) . ?
C134 F4 1.45(6) . ?
C134 F5 1.46(4) . ?
C134 F6 1.36(5) . ?
C135 C136 1.547(10) . ?
C135 F7 1.328(17) . ?
C135 F8 1.447(10) . ?
C135 F9 1.450(10) . ?
C136 O9 1.250(10) . ?
C136 O10 1.253(10) . ?
C142 C142 1.52(4) 11 ?
C142 C144 1.75(9) . ?
C142 N3 1.549(10) . ?
C142 O16 1.251(10) . ?
C143 C144 0.80(10) . ?
C143 N3 1.547(10) . ?
C144 N3 1.550(10) . ?
C151 C152 1.417(19) . ?
C151 O29 1.254(10) . ?
C151 O30 1.252(11) . ?
C152 F28 1.448(10) . ?
C152 F29 1.449(10) . ?
C152 F30 1.446(10) . ?
Cr1 O1A 1.65(3) . ?
Cr1 O2 1.49(2) . ?
Cr1 O3 1.51(3) . ?
Cr1 O4 1.64(2) . ?
Cr1 O2A 1.761(10) . ?
Cr1 O3A 1.626(18) . ?
Cr1 O1 1.763(19) . ?
F28 F29 1.65(11) 8_545 ?
O1A O3 1.67(8) . ?
O1A O1 1.600(11) . ?
O2 O2A 1.30(3) . ?
O2 O3A 1.62(3) . ?
O3 O3A 1.31(6) . ?
O11 O11A 1.52(8) . ?
O14 O14A 1.15(6) . ?
Ag15 O21A 2.520(15) 11 ?
Ag15 O21A 2.520(15) 8 ?
Ag15 O21A 2.520(15) 14 ?
Ag15 O21A 2.520(15) . ?
Ag15 O22A 2.167(19) . ?
Ag15 O22A 2.167(19) 8 ?
Ag15 O22A 2.167(19) 14 ?
Ag15 O22A 2.167(19) 11 ?
Ag16 S7 2.655(8) . ?
Ag16 S8 2.614(7) . ?
Ag16 S9 2.641(7) . ?
Ag16 O21A 2.580(16) 11 ?
Ag17 Ag18 2.916(3) . ?
Ag17 Ag18 2.916(3) 14 ?
Ag17 O19 2.352(14) . ?
Ag17 O19 2.352(14) 14 ?
Ag17 S9 2.512(7) 14 ?
Ag17 S9 2.512(7) . ?
Ag18 Ag19 3.001(3) . ?
Ag18 Ag20 3.008(3) . ?
Ag18 O27 2.35(2) . ?
Ag18 S9 2.513(7) . ?
Ag18 S11 2.470(8) . ?
Ag19 Ag20 2.996(4) . ?
Ag19 S9 2.420(8) . ?
Ag19 S10 2.441(8) . ?
Ag20 Ag21 3.069(3) . ?
Ag20 Ag22 3.025(4) . ?
Ag20 O26 2.38(7) . ?
Ag20 O28 2.50(4) . ?
Ag20 S10 2.582(7) . ?
Ag20 S11 2.526(7) . ?
Ag21 Ag22 3.089(3) . ?
Ag21 Ag23 2.970(3) . ?
Ag21 Ag24 3.070(3) . ?
Ag21 O24A 2.43(4) . ?
Ag21 S10 2.515(8) . ?
Ag21 S12 2.507(8) . ?
Ag22 Ag27 3.117(3) . ?
Ag22 Ag28 3.090(3) . ?
Ag22 O18 2.30(3) . ?
Ag22 S11 2.466(8) . ?
Ag22 S12 2.522(7) . ?
Ag23 Ag24 3.008(4) . ?
Ag23 O20 2.469(10) . ?
Ag23 S8 2.441(7) 11 ?
Ag23 S12 2.468(7) . ?
Ag24 Ag25 2.897(3) . ?
Ag24 O23 2.33(2) . ?
Ag24 S8 2.532(6) 11 ?
Ag24 S10 2.491(6) . ?
Ag25 O21 2.439(11) . ?
Ag25 O21 2.439(11) 11 ?
Ag25 S8 2.538(7) . ?
Ag25 S8 2.538(7) 11 ?
Ag25 O21A 2.437(14) 11 ?
Ag25 O21A 2.437(14) . ?
Ag26 Ag27 3.166(3) . ?
Ag26 Ag27 3.166(3) 8 ?
Ag26 O22 2.431(19) 8 ?
Ag26 O22 2.431(19) . ?
Ag26 S7 2.489(6) 11 ?
Ag26 S7 2.489(6) 14 ?
Ag27 Ag28 2.985(3) . ?
Ag27 O5 2.40(6) . ?
Ag27 O6 2.52(5) . ?
Ag27 S7 2.505(8) 14 ?
Ag27 S12 2.493(8) . ?
Ag28 C26 2.68(3) 14 ?
Ag28 O17 2.37(3) . ?
Ag28 S7 2.578(6) 14 ?
Ag28 S11 2.684(7) . ?
C2 C3 1.3900 . ?
C2 C1 1.3900 . ?
C3 C4 1.3900 . ?
C4 C5 1.3900 . ?
C4 C7 1.54(3) . ?
C5 C6 1.3900 . ?
C6 C1 1.3900 . ?
C1 S11 1.801(14) . ?
C7 C8 1.53(6) . ?
C7 C9 1.46(5) . ?
C7 C10 1.44(5) . ?
C11 C12 1.37(5) . ?
C11 C16 1.35(5) . ?
C11 S12 1.79(4) . ?
C12 C13 1.38(5) . ?
C13 C14 1.34(5) . ?
C14 C15 1.37(5) . ?
C14 C17 1.60(5) . ?
C15 C16 1.46(5) . ?
C17 C18 1.51(5) . ?
C17 C19 1.63(6) . ?
C17 C20 1.44(5) . ?
C21 C22 1.41(4) . ?
C21 C26 1.35(4) . ?
C21 S9 1.82(3) . ?
C22 C23 1.39(4) . ?
C23 C24 1.33(4) . ?
C24 C25 1.43(4) . ?
C24 C27 1.61(5) . ?
C25 C26 1.31(4) . ?
C27 C28 1.58(5) . ?
C27 C29 1.51(5) . ?
C27 C30 1.46(5) . ?
C31 C32 1.27(4) . ?
C31 C36 1.38(4) . ?
C31 S8 1.79(3) . ?
C32 C33 1.41(4) . ?
C33 C34 1.33(4) . ?
C34 C35 1.39(4) . ?
C34 C37 1.56(4) . ?
C35 C36 1.42(4) . ?
C37 C38 1.49(5) . ?
C37 C39 1.54(5) . ?
C37 C40 1.48(5) . ?
C41 C42 1.36(4) . ?
C41 C46 1.37(4) . ?
C41 S10 1.75(3) . ?
C42 C43 1.38(4) . ?
C43 C44 1.43(5) . ?
C44 C45 1.29(5) . ?
C44 C47 1.54(5) . ?
C45 C46 1.45(4) . ?
C47 C48 1.61(5) . ?
C47 C49 1.56(6) . ?
C47 C50 1.45(6) . ?
C51 C52 1.33(4) . ?
C51 C56 1.36(3) . ?
C51 S7 1.84(3) . ?
C52 C53 1.40(4) . ?
C53 C54 1.37(4) . ?
C54 C55 1.38(4) . ?
C54 C57 1.58(4) . ?
C55 C56 1.34(4) . ?
C57 C58 1.50(5) . ?
C57 C59 1.51(4) . ?
C57 C60 1.55(5) . ?
C121 C122 1.546(10) . ?
C121 O17 1.248(10) . ?
C121 O18 1.253(10) . ?
C122 F16 1.442(10) . ?
C122 F17 1.444(10) . ?
C122 F18 1.446(10) . ?
C123 C124 1.520(9) . ?
C123 O23 1.245(10) . ?
C123 O24 1.44(6) . ?
C123 O24A 1.41(5) . ?
C124 F19 1.416(9) . ?
C124 F20 1.418(9) . ?
C124 F21 1.421(9) . ?
C125 C126 1.526(10) . ?
C125 F13 1.421(9) . ?
C125 F14 1.420(9) . ?
C125 F15 1.423(9) . ?
C126 O25 1.254(10) . ?
C126 O26 1.254(10) . ?
C127 C128 1.546(10) . ?
C127 O27 1.243(10) . ?
C127 O28 1.250(10) . ?
C127 O28A 1.47(5) . ?
C128 F25 1.52(6) . ?
C128 F25A 1.31(6) . ?
C128 F26 1.27(6) . ?
C128 F26A 1.32(6) . ?
C128 F27 1.22(6) . ?
C128 F27A 1.38(6) . ?
C137 C138 1.548(10) . ?
C137 O5 1.247(10) . ?
C137 O6 1.245(10) . ?
C138 F22 1.452(10) . ?
C138 F23 1.451(10) . ?
C138 F24 1.451(10) . ?
Cr2 O19 1.529(14) . ?
Cr2 O20 1.534(9) . ?
Cr2 O21 1.463(11) . ?
Cr2 O22 1.560(19) . ?
Cr2 O20A 1.632(9) . ?
Cr2 O21A 1.555(10) . ?
Cr2 O22A 1.551(10) . ?
F25 F25A 0.93(5) . ?
F25A F26 1.32(6) . ?
F26 F26A 1.30(6) . ?
F26A F27 1.34(6) . ?
F27 F27A 0.84(5) . ?
O20 O22 1.554(9) . ?
O20 O20A 1.552(9) . ?
O21 O20A 1.557(9) . ?
O21 O21A 1.547(10) . ?
O22 O21A 1.71(3) . ?
O22 O22A 1.548(10) . ?
O24 O24A 1.72(7) . ?
O28 O28A 1.64(7) . ?
C139 C139 1.18(12) 14_545 ?
C139 C140 1.72(8) . ?
C139 N4 1.30(6) . ?
C139 O15 1.21(5) . ?
C140 C141 1.39(8) . ?
C140 N4 1.61(6) . ?
C141 C141 1.71(12) 14_545 ?
C141 N4 1.60(6) . ?
C148 C148 1.35(8) 14 ?
C148 C149 1.99(7) . ?
C148 N2 1.37(6) . ?
C148 O32 1.28(6) . ?
C149 C150 0.88(6) . ?
C149 N2 1.548(10) . ?
C150 C150 1.62(5) 14 ?
C150 N2 1.552(10) . ?
C145 C145 1.10(13) 11 ?
C145 C147 1.54(8) 11 ?
C145 N1 1.28(6) . ?
C145 O31 1.26(6) . ?
C146 C146 1.68(14) 11 ?
C146 C147 1.30(9) 11 ?
C146 N1 1.44(6) . ?
C147 N1 1.42(7) . ?
O2A O1 1.560(10) . ?
O21A O22A 1.549(10) . ?

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
O2A Ag1 O2A 71.5(7) . 14_545 ?
O2A Ag1 O2A 71.5(7) 11 8_545 ?
O2A Ag1 O2A 110.8(7) 14_545 8_545 ?
O2A Ag1 O2A 110.8(7) . 11 ?
O2A Ag1 O2A 164.3(4) . 8_545 ?
O2A Ag1 O2A 164.3(4) 14_545 11 ?
O1 Ag1 O2A 111.8(9) 14_545 . ?
O1 Ag1 O2A 130.4(4) 14_545 11 ?
O1 Ag1 O2A 74.4(8) 14_545 8_545 ?
O1 Ag1 O2A 74.4(8) 11 . ?
O1 Ag1 O2A 111.7(9) 8_545 11 ?
O1 Ag1 O2A 130.4(4) 8_545 . ?
O1 Ag1 O2A 130.4(4) . 8_545 ?
O1 Ag1 O2A 41.3(4) . . ?
O1 Ag1 O2A 41.3(4) 11 11 ?
O1 Ag1 O2A 41.3(4) 14_545 14_545 ?
O1 Ag1 O2A 74.4(8) . 11 ?
O1 Ag1 O2A 130.4(4) 11 14_545 ?
O1 Ag1 O2A 111.7(9) 11 8_545 ?
O1 Ag1 O2A 74.4(8) 8_545 14_545 ?
O1 Ag1 O2A 111.7(9) . 14_545 ?
O1 Ag1 O2A 41.3(4) 8_545 8_545 ?
O1 Ag1 O1 52.4(7) 14_545 8_545 ?
O1 Ag1 O1 52.4(7) 11 . ?
O1 Ag1 O1 152.9(12) 14_545 . ?
O1 Ag1 O1 136.0(3) 8_545 . ?
O1 Ag1 O1 152.9(12) 11 8_545 ?
O1 Ag1 O1 136.0(3) 14_545 11 ?
Ag14 Ag2 Ag14 116.55(15) . 11 ?
O1A Ag2 Ag14 81.5(6) . . ?
O1A Ag2 Ag14 136.0(7) . 11 ?
O1A Ag2 Ag14 136.0(7) 11 . ?
O1A Ag2 Ag14 81.5(6) 11 11 ?
O1A Ag2 O1A 114.0(5) 11 . ?
O1A Ag2 S5 99.3(7) . . ?
O1A Ag2 S5 83.2(7) . 11 ?
O1A Ag2 S5 99.3(7) 11 11 ?
O1A Ag2 S5 83.2(7) 11 . ?
O1A Ag2 O1 77.1(3) . 11 ?
O1A Ag2 O1 37.5(3) 11 11 ?
O1A Ag2 O1 77.1(3) 11 . ?
O1A Ag2 O1 37.5(3) . . ?
S5 Ag2 Ag14 123.94(19) 11 . ?
S5 Ag2 Ag14 123.94(19) . 11 ?
S5 Ag2 Ag14 53.11(19) . . ?
S5 Ag2 Ag14 53.11(19) 11 11 ?
S5 Ag2 S5 175.4(4) 11 . ?
S5 Ag2 O1 95.3(5) . 11 ?
S5 Ag2 O1 89.0(5) 11 11 ?
S5 Ag2 O1 95.3(5) 11 . ?
S5 Ag2 O1 89.0(5) . . ?
O1 Ag2 Ag14 103.8(5) 11 11 ?
O1 Ag2 Ag14 138.0(5) 11 . ?
O1 Ag2 Ag14 103.8(5) . . ?
O1 Ag2 Ag14 138.0(5) . 11 ?
O1 Ag2 O1 41.9(6) . 11 ?
O1A Ag3 S1 177.6(3) . 8_545 ?
O1A Ag3 S2 72.4(3) . . ?
O1A Ag3 S5 79.8(4) . 11 ?
O1A Ag3 O2A 94.9(5) . 11 ?
S1 Ag3 S2 105.5(3) 8_545 . ?
S1 Ag3 S5 102.1(2) 8_545 11 ?
S2 Ag3 S5 109.8(2) . 11 ?
O2A Ag3 S1 86.9(5) 11 8_545 ?
O2A Ag3 S2 161.0(5) 11 . ?
O2A Ag3 S5 80.8(3) 11 11 ?
Ag6 Ag4 Ag7 60.26(8) . . ?
O8 Ag4 Ag6 87.9(8) . . ?
O8 Ag4 Ag7 81.7(6) . . ?
O8 Ag4 S2 106.3(8) . . ?
O8 Ag4 S6 97.9(7) . . ?
S2 Ag4 Ag6 51.89(17) . . ?
S2 Ag4 Ag7 110.84(18) . . ?
S2 Ag4 S6 147.9(2) . . ?
S6 Ag4 Ag6 109.70(18) . . ?
S6 Ag4 Ag7 51.79(18) . . ?
Ag6 Ag5 Ag6 117.43(15) . 8_545 ?
O4 Ag5 Ag6 80.2(5) 8_545 8_545 ?
O4 Ag5 Ag6 145.4(4) . 8_545 ?
O4 Ag5 Ag6 80.2(5) . . ?
O4 Ag5 Ag6 145.5(4) 8_545 . ?
O4 Ag5 O4 101.9(10) 8_545 . ?
O4 Ag5 S2 93.2(5) . 8_545 ?
O4 Ag5 S2 93.2(5) 8_545 . ?
O4 Ag5 S2 91.0(5) 8_545 8_545 ?
O4 Ag5 S2 91.0(5) . . ?
S2 Ag5 Ag6 52.27(17) . . ?
S2 Ag5 Ag6 123.5(2) 8_545 . ?
S2 Ag5 Ag6 52.27(17) 8_545 8_545 ?
S2 Ag5 Ag6 123.52(19) . 8_545 ?
S2 Ag5 S2 173.4(4) . 8_545 ?
Ag4 Ag6 Ag7 60.03(8) . . ?
Ag5 Ag6 Ag4 100.26(10) . . ?
Ag5 Ag6 Ag7 135.53(12) . . ?
O29 Ag6 Ag4 145(2) . . ?
O29 Ag6 Ag5 84(2) . . ?
O29 Ag6 Ag7 136(3) . . ?
O29 Ag6 S2 107(3) . . ?
O29 Ag6 S3 101(3) . . ?
S2 Ag6 Ag4 53.99(19) . . ?
S2 Ag6 Ag5 53.51(18) . . ?
S2 Ag6 Ag7 112.7(2) . . ?
S3 Ag6 Ag4 109.2(2) . . ?
S3 Ag6 Ag5 109.7(2) . . ?
S3 Ag6 Ag7 53.5(2) . . ?
S3 Ag6 S2 144.1(3) . . ?
Ag4 Ag7 Ag6 59.70(8) . . ?
Ag4 Ag7 Ag9 128.15(11) . . ?
Ag4 Ag7 Ag12 101.57(10) . . ?
Ag6 Ag7 Ag9 97.71(9) . . ?
Ag6 Ag7 Ag12 133.22(12) . . ?
Ag12 Ag7 Ag9 58.45(8) . . ?
O7 Ag7 Ag4 75.4(7) . . ?
O7 Ag7 Ag6 71.1(8) . . ?
O7 Ag7 Ag9 145.3(7) . . ?
O7 Ag7 Ag12 150.7(8) . . ?
O7 Ag7 O9 98.5(14) . . ?
O7 Ag7 S3 101.1(9) . . ?
O7 Ag7 S6 106.8(8) . . ?
O9 Ag7 Ag4 153.1(9) . . ?
O9 Ag7 Ag6 143.8(12) . . ?
O9 Ag7 Ag9 70.9(9) . . ?
O9 Ag7 Ag12 70.8(13) . . ?
O9 Ag7 S3 99.7(9) . . ?
O9 Ag7 S6 103.8(12) . . ?
S3 Ag7 Ag4 107.15(19) . . ?
S3 Ag7 Ag6 51.59(18) . . ?
S3 Ag7 Ag9 51.25(19) . . ?
S3 Ag7 Ag12 107.5(2) . . ?
S6 Ag7 Ag4 55.21(17) . . ?
S6 Ag7 Ag6 112.41(18) . . ?
S6 Ag7 Ag9 107.8(2) . . ?
S6 Ag7 Ag12 52.97(17) . . ?
S6 Ag7 S3 140.0(3) . . ?
Ag9 Ag8 Ag10 60.73(9) . . ?
S1 Ag8 Ag9 114.0(2) . . ?
S1 Ag8 Ag10 53.98(18) . . ?
S1 Ag8 S3 156.1(3) . . ?
S3 Ag8 Ag9 54.8(2) . . ?
S3 Ag8 Ag10 113.9(2) . . ?
Ag8 Ag9 Ag7 95.06(10) . . ?
Ag8 Ag9 Ag10 60.55(9) . . ?
Ag8 Ag9 Ag12 126.45(13) . . ?
Ag10 Ag9 Ag7 130.40(11) . . ?
Ag10 Ag9 Ag12 98.82(11) . . ?
Ag12 Ag9 Ag7 59.68(9) . . ?
O10 Ag9 Ag7 89.3(8) . . ?
O10 Ag9 Ag8 135.6(12) . . ?
O10 Ag9 Ag10 139.1(9) . . ?
O10 Ag9 Ag12 93.6(11) . . ?
O10 Ag9 O14 78.0(13) . . ?
O10 Ag9 S3 100.9(13) . . ?
O10 Ag9 S4 111.2(13) . . ?
O14 Ag9 Ag7 143.4(11) . . ?
O14 Ag9 Ag8 72.4(11) . . ?
O14 Ag9 Ag10 73.9(10) . . ?
O14 Ag9 Ag12 153.9(11) . . ?
S3 Ag9 Ag7 51.17(19) . . ?
S3 Ag9 Ag8 52.5(2) . . ?
S3 Ag9 Ag10 111.5(2) . . ?
S3 Ag9 Ag12 108.6(2) . . ?
S3 Ag9 O14 97.3(11) . . ?
S4 Ag9 Ag7 109.18(19) . . ?
S4 Ag9 Ag8 108.86(19) . . ?
S4 Ag9 Ag10 52.74(17) . . ?
S4 Ag9 Ag12 52.36(17) . . ?
S4 Ag9 O14 107.5(11) . . ?
S4 Ag9 S3 142.6(3) . . ?
Ag8 Ag10 Ag9 58.71(9) . . ?
Ag11 Ag10 Ag8 97.51(9) . . ?
Ag11 Ag10 Ag9 134.30(10) . . ?
O13 Ag10 Ag8 86.3(5) . . ?
O13 Ag10 Ag9 86.9(5) . . ?
O13 Ag10 Ag11 133.3(5) . . ?
O13 Ag10 S1 96.7(5) . . ?
O13 Ag10 S4 110.6(5) . . ?
S1 Ag10 Ag8 51.3(2) . . ?
S1 Ag10 Ag9 109.4(2) . . ?
S1 Ag10 Ag11 54.7(2) . . ?
S4 Ag10 Ag8 107.1(2) . . ?
S4 Ag10 Ag9 52.69(19) . . ?
S4 Ag10 Ag11 112.49(18) . . ?
S4 Ag10 S1 144.8(2) . . ?
Ag10 Ag11 Ag10 102.59(12) . 14_545 ?
O2 Ag11 Ag10 74.9(7) . . ?
O2 Ag11 Ag10 74.9(7) 14_545 14_545 ?
O2 Ag11 Ag10 146.4(4) 14_545 . ?
O2 Ag11 Ag10 146.4(4) . 14_545 ?
O2 Ag11 O2 125.6(15) . 14_545 ?
O2 Ag11 S1 86.8(4) 14_545 14_545 ?
O2 Ag11 S1 96.9(3) 14_545 . ?
O2 Ag11 S1 96.9(3) . 14_545 ?
O2 Ag11 S1 86.8(4) . . ?
O2 Ag11 O2A 31.4(8) . . ?
O2 Ag11 O2A 95.1(8) . 14_545 ?
O2 Ag11 O2A 95.1(8) 14_545 . ?
O2 Ag11 O2A 31.4(8) 14_545 14_545 ?
S1 Ag11 Ag10 54.35(16) . . ?
S1 Ag11 Ag10 119.53(19) . 14_545 ?
S1 Ag11 Ag10 54.36(16) 14_545 14_545 ?
S1 Ag11 Ag10 119.54(19) 14_545 . ?
S1 Ag11 S1 171.8(3) 14_545 . ?
O2A Ag11 Ag10 141.8(2) . 14_545 ?
O2A Ag11 Ag10 141.8(2) 14_545 . ?
O2A Ag11 Ag10 105.2(3) . . ?
O2A Ag11 Ag10 105.2(3) 14_545 14_545 ?
O2A Ag11 S1 89.0(2) . 14_545 ?
O2A Ag11 S1 98.0(2) 14_545 14_545 ?
O2A Ag11 S1 98.0(2) . . ?
O2A Ag11 S1 89.0(2) 14_545 . ?
O2A Ag11 O2A 66.2(7) 14_545 . ?
Ag9 Ag12 Ag7 61.87(9) . . ?
Ag9 Ag12 Ag14 128.80(10) . . ?
Ag13 Ag12 Ag7 128.43(11) . . ?
Ag13 Ag12 Ag9 98.62(10) . . ?
Ag13 Ag12 Ag14 57.55(8) . . ?
Ag14 Ag12 Ag7 96.25(9) . . ?
O11 Ag12 Ag7 145.9(18) . . ?
O11 Ag12 Ag9 149.9(19) . . ?
O11 Ag12 Ag13 72.2(14) . . ?
O11 Ag12 Ag14 71.1(15) . . ?
O11 Ag12 S4 103.2(18) . . ?
O11 Ag12 S6 100.8(19) . . ?
S4 Ag12 Ag7 111.0(2) . . ?
S4 Ag12 Ag9 52.04(19) . . ?
S4 Ag12 Ag13 54.11(18) . . ?
S4 Ag12 Ag14 109.02(19) . . ?
S4 Ag12 S6 139.8(2) . . ?
S6 Ag12 Ag7 51.1(2) . . ?
S6 Ag12 Ag9 109.3(2) . . ?
S6 Ag12 Ag13 105.1(2) . . ?
S6 Ag12 Ag14 50.6(2) . . ?
Ag14 Ag13 Ag12 62.01(9) . . ?
C76 Ag13 Ag12 137.4(7) 14_545 . ?
C76 Ag13 Ag14 160.5(7) 14_545 . ?
O11A Ag13 Ag12 71.0(16) . . ?
O11A Ag13 Ag14 77.2(13) . . ?
O11A Ag13 C76 108.0(15) . 14_545 ?
O11A Ag13 S4 96.8(16) . . ?
O11A Ag13 S5 103.1(15) . . ?
S4 Ag13 Ag12 52.16(17) . . ?
S4 Ag13 Ag14 111.4(2) . . ?
S4 Ag13 C76 86.9(7) . 14_545 ?
S5 Ag13 Ag12 114.3(2) . . ?
S5 Ag13 Ag14 53.37(19) . . ?
S5 Ag13 C76 107.4(7) . 14_545 ?
S5 Ag13 S4 150.1(3) . . ?
Ag2 Ag14 Ag12 137.94(12) . . ?
Ag2 Ag14 Ag13 102.02(11) . . ?
Ag13 Ag14 Ag12 60.44(8) . . ?
O12 Ag14 Ag2 132.5(8) . . ?
O12 Ag14 Ag12 85.2(8) . . ?
O12 Ag14 Ag13 81.1(8) . . ?
O12 Ag14 S5 95.1(9) . . ?
O12 Ag14 S6 110.8(9) . . ?
S5 Ag14 Ag2 55.06(16) . . ?
S5 Ag14 Ag12 113.52(18) . . ?
S5 Ag14 Ag13 54.13(17) . . ?
S6 Ag14 Ag2 112.13(19) . . ?
S6 Ag14 Ag12 53.32(16) . . ?
S6 Ag14 Ag13 110.36(18) . . ?
S6 Ag14 S5 148.1(3) . . ?
C62 C61 C66 121(3) . . ?
C62 C61 S5 120(2) . . ?
C66 C61 S5 118(2) . . ?
C61 C62 C63 118(3) . . ?
C64 C63 C62 121(3) . . ?
C63 C64 C65 119(3) . . ?
C63 C64 C67 119(3) . . ?
C65 C64 C67 121(3) . . ?
C66 C65 C64 122(3) . . ?
C65 C66 C61 118(3) . . ?
C64 C67 C68 120(3) . . ?
C64 C67 C69 121(2) . . ?
C64 C67 C70 113(2) . . ?
C68 C67 C69 99.5(8) . . ?
C68 C67 C70 99.6(8) . . ?
C70 C67 C69 99.4(8) . . ?
C72 C71 S1 116(2) . . ?
C76 C71 C72 124(3) . . ?
C76 C71 S1 120(3) . . ?
C71 C72 C73 116(3) . . ?
C74 C73 C72 120(3) . . ?
C73 C74 C75 118(3) . . ?
C73 C74 C77 119(3) . . ?
C75 C74 C77 122(3) . . ?
C76 C75 C74 124(3) . . ?
C71 C76 Ag13 107.9(19) . 14_545 ?
C75 C76 Ag13 95(2) . 14_545 ?
C75 C76 C71 117(3) . . ?
C74 C77 C79 110(3) . . ?
C74 C77 C80 98(3) . . ?
C78 C77 C74 108(3) . . ?
C78 C77 C79 109(4) . . ?
C78 C77 C80 122(4) . . ?
C79 C77 C80 109(4) . . ?
C82 C81 C86 120(3) . . ?
C82 C81 S4 121(2) . . ?
C86 C81 S4 119(2) . . ?
C83 C82 C81 122(3) . . ?
C82 C83 C84 119(3) . . ?
C83 C84 C87 124(3) . . ?
C85 C84 C83 117(3) . . ?
C85 C84 C87 117(3) . . ?
C84 C85 C86 125(3) . . ?
C85 C86 C81 116(3) . . ?
C84 C87 C88 109(3) . . ?
C89 C87 C84 110(3) . . ?
C89 C87 C88 108(4) . . ?
C90 C87 C84 117(4) . . ?
C90 C87 C88 104(4) . . ?
C90 C87 C89 109(4) . . ?
C92 C91 S3 118(3) . . ?
C96 C91 C92 118(3) . . ?
C96 C91 S3 124(3) . . ?
C91 C92 C93 115(3) . . ?
C94 C93 C92 120(3) . . ?
C93 C94 C95 127(2) . . ?
C93 C94 C97 126(2) . . ?
C95 C94 C97 106(2) . . ?
C96 C95 C94 116(3) . . ?
C91 C96 C95 124(3) . . ?
C94 C97 C98 112(3) . . ?
C94 C97 C99 138(3) . . ?
C94 C97 C100 101.0(8) . . ?
C99 C97 C98 99.3(8) . . ?
C100 C97 C98 99.7(8) . . ?
C100 C97 C99 100.4(8) . . ?
C102 C101 S2 118(3) . . ?
C106 C101 C102 119(3) . . ?
C106 C101 S2 123(2) . . ?
C103 C102 C101 117(3) . . ?
C104 C103 C102 119(3) . . ?
C103 C104 C105 125(3) . . ?
C103 C104 C107 120(3) . . ?
C105 C104 C107 115(3) . . ?
C104 C105 C106 118(4) . . ?
C105 C106 C101 122(3) . . ?
C108 C107 C104 107(3) . . ?
C108 C107 C109 105(3) . . ?
C109 C107 C104 107(3) . . ?
C110 C107 C104 116(3) . . ?
C110 C107 C108 111(3) . . ?
C110 C107 C109 111(4) . . ?
C112 C111 C116 116(4) . . ?
C112 C111 S6 126(3) . . ?
C116 C111 S6 118(3) . . ?
C111 C112 C113 131(4) . . ?
C112 C113 C114 112(4) . . ?
C113 C114 C117 116(4) . . ?
C115 C114 C113 120(4) . . ?
C115 C114 C117 124(4) . . ?
C114 C115 C116 122(4) . . ?
C111 C116 C115 119(4) . . ?
C118 C117 C114 113(4) . . ?
C119 C117 C114 109(3) . . ?
C119 C117 C118 107(4) . . ?
C119 C117 C120 114(4) . . ?
C120 C117 C114 111(3) . . ?
C120 C117 C118 102(4) . . ?
O11 C129 C130 117(4) . . ?
O11 C129 O12 113(5) . . ?
O11A C129 C130 121(4) . . ?
O11A C129 O11 75(5) . . ?
O11A C129 O12 114(4) . . ?
O12 C129 C130 112(3) . . ?
F1 C130 C129 113(4) . . ?
F1 C130 F2 114(5) . . ?
F1 C130 F3 121(4) . . ?
F2 C130 C129 100(3) . . ?
F3 C130 C129 104(4) . . ?
F3 C130 F2 104(4) . . ?
O13 C131 C132 121(2) . . ?
O13 C131 O14 123(3) . . ?
O13 C131 O14A 124(2) . . ?
O14 C131 C132 111(3) . . ?
O14 C131 O14A 51(3) . . ?
O14A C131 C132 108(3) . . ?
F10 C132 C131 101.2(19) . . ?
F11 C132 C131 105(2) . . ?
F11 C132 F10 106(2) . . ?
F12 C132 C131 112(2) . . ?
F12 C132 F10 113(2) . . ?
F12 C132 F11 119(2) . . ?
O7 C133 C134 114(3) . . ?
O7 C133 O8 122(3) . . ?
O8 C133 C134 120(3) . . ?
F4 C134 C133 103(4) . . ?
F4 C134 F5 108(3) . . ?
F5 C134 C133 103(3) . . ?
F6 C134 C133 117(3) . . ?
F6 C134 F4 113(3) . . ?
F6 C134 F5 112(4) . . ?
F7 C135 C136 109.6(10) . . ?
F7 C135 F8 115.5(10) . . ?
F7 C135 F9 115.4(10) . . ?
F8 C135 C136 103.4(9) . . ?
F8 C135 F9 108.4(11) . . ?
F9 C135 C136 103.2(9) . . ?
O9 C136 C135 93(3) . . ?
O9 C136 O10 151(4) . . ?
O10 C136 C135 115(3) . . ?
C142 C142 C144 116(2) 11 . ?
C142 C142 N3 60.7(9) 11 . ?
N3 C142 C144 55.6(19) . . ?
O16 C142 C142 52.7(13) . 11 ?
O16 C142 C144 169(3) . . ?
O16 C142 N3 113(2) . . ?
C144 C143 N3 75(2) . . ?
C143 C144 C142 130.4(13) . . ?
C143 C144 N3 75(2) . . ?
N3 C144 C142 56(2) . . ?
O29 C151 C152 123(2) . . ?
O30 C151 C152 112(6) . . ?
O30 C151 O29 122.5(15) . . ?
C151 C152 F28 110.3(11) . . ?
C151 C152 F29 110.1(11) . . ?
C151 C152 F30 110.6(11) . . ?
F28 C152 F29 108.6(11) . . ?
F30 C152 F28 108.6(11) . . ?
F30 C152 F29 108.5(11) . . ?
O1A Cr1 O2A 104.8(8) . . ?
O1A Cr1 O1 55.7(6) . . ?
O2 Cr1 O1A 131.2(8) . . ?
O2 Cr1 O3 106(2) . . ?
O2 Cr1 O4 111.4(8) . . ?
O2 Cr1 O2A 46.0(12) . . ?
O2 Cr1 O3A 62.5(11) . . ?
O2 Cr1 O1 95.3(11) . . ?
O3 Cr1 O1A 64(3) . . ?
O3 Cr1 O4 119.8(10) . . ?
O3 Cr1 O2A 134.2(6) . . ?
O3 Cr1 O3A 49(3) . . ?
O3 Cr1 O1 114(2) . . ?
O4 Cr1 O1A 114.5(8) . . ?
O4 Cr1 O2A 105.5(8) . . ?
O4 Cr1 O1 107.7(7) . . ?
O2A Cr1 O1 52.5(4) . . ?
O3A Cr1 O1A 109.4(9) . . ?
O3A Cr1 O4 115.3(8) . . ?
O3A Cr1 O2A 106.4(9) . . ?
O3A Cr1 O1 136.3(6) . . ?
C152 F28 F29 103(7) . 8_545 ?
C152 F29 F28 111(6) . 8_545 ?
C142 N3 C142 58.6(19) . 11 ?
C142 N3 C144 127(4) . 11 ?
C142 N3 C144 127(4) 11 . ?
C142 N3 C144 69(4) . . ?
C142 N3 C144 69(4) 11 11 ?
C143 N3 C142 98.8(7) 11 11 ?
C143 N3 C142 98.8(7) . . ?
C143 N3 C142 157.4(18) 11 . ?
C143 N3 C142 157.4(18) . 11 ?
C143 N3 C143 104(2) . 11 ?
C143 N3 C144 134(4) 11 . ?
C143 N3 C144 30(4) . . ?
C143 N3 C144 30(4) 11 11 ?
C143 N3 C144 134(4) . 11 ?
C144 N3 C144 164(8) . 11 ?
Ag2 O1A Ag3 94.7(9) . . ?
Cr1 O1A Ag2 118.7(9) . . ?
Cr1 O1A Ag3 120.6(5) . . ?
Cr1 O1A O3 54.2(12) . . ?
O3 O1A Ag2 109.1(8) . . ?
O3 O1A Ag3 155.0(5) . . ?
O1 O1A Ag2 77.2(4) . . ?
O1 O1A Ag3 77.6(12) . . ?
O1 O1A Cr1 65.6(10) . . ?
O1 O1A O3 114.3(19) . . ?
Cr1 O2 Ag11 134.6(9) . . ?
Cr1 O2 O3A 62.8(10) . . ?
O2A O2 Ag11 82.1(11) . . ?
O2A O2 Cr1 78.0(17) . . ?
O2A O2 O3A 136(2) . . ?
O3A O2 Ag11 139.2(17) . . ?
Cr1 O3 O1A 62(2) . . ?
O3A O3 Cr1 69.8(13) . . ?
O3A O3 O1A 127(2) . . ?
Cr1 O4 Ag5 131.2(9) . . ?
C133 O7 Ag7 131(3) . . ?
C133 O8 Ag4 117(3) . . ?
C136 O9 Ag7 121(3) . . ?
C136 O10 Ag9 103(2) . . ?
C129 O11 Ag12 140(4) . . ?
C129 O11 O11A 53(2) . . ?
O11A O11 Ag12 107(4) . . ?
C129 O11A Ag13 130(5) . . ?
C129 O11A O11 53(2) . . ?
O11 O11A Ag13 108(4) . . ?
C129 O12 Ag14 120(2) . . ?
C131 O13 Ag10 122.8(14) . . ?
C131 O14 Ag9 130(3) . . ?
O14A O14 Ag9 110(4) . . ?
O14A O14 C131 71(4) . . ?
O14 O14A C131 58(3) . . ?
C142 O16 C142 75(3) 11 . ?
C151 O29 Ag6 102(4) . . ?
Ag8 S1 Ag3 105.3(3) . 8_545 ?
Ag8 S1 Ag10 74.7(2) . . ?
Ag8 S1 Ag11 128.1(3) . . ?
Ag10 S1 Ag3 152.9(3) . 8_545 ?
Ag10 S1 Ag11 70.9(2) . . ?
Ag11 S1 Ag3 89.7(3) . 8_545 ?
C71 S1 Ag3 109.4(10) . 8_545 ?
C71 S1 Ag8 107.2(11) . . ?
C71 S1 Ag10 96.0(9) . . ?
C71 S1 Ag11 114.0(11) . . ?
Ag4 S2 Ag3 99.1(3) . . ?
Ag5 S2 Ag3 86.6(2) . . ?
Ag5 S2 Ag4 132.6(3) . . ?
Ag6 S2 Ag3 143.9(3) . . ?
Ag6 S2 Ag4 74.1(2) . . ?
Ag6 S2 Ag5 74.2(2) . . ?
C101 S2 Ag3 111.5(10) . . ?
C101 S2 Ag4 108.0(10) . . ?
C101 S2 Ag5 113.4(11) . . ?
C101 S2 Ag6 104.2(11) . . ?
Ag6 S3 Ag7 74.9(2) . . ?
Ag6 S3 Ag9 138.7(4) . . ?
Ag7 S3 Ag9 77.6(3) . . ?
Ag8 S3 Ag6 103.1(3) . . ?
Ag8 S3 Ag7 130.2(4) . . ?
Ag8 S3 Ag9 72.8(2) . . ?
C91 S3 Ag6 110.7(11) . . ?
C91 S3 Ag7 105.0(12) . . ?
C91 S3 Ag8 121.0(12) . . ?
C91 S3 Ag9 105.8(12) . . ?
Ag9 S4 Ag10 74.6(2) . . ?
Ag9 S4 Ag12 75.6(2) . . ?
Ag9 S4 Ag13 132.3(3) . . ?
Ag10 S4 Ag12 135.1(3) . . ?
Ag10 S4 Ag13 103.8(3) . . ?
Ag12 S4 Ag13 73.7(2) . . ?
C81 S4 Ag9 107.8(13) . . ?
C81 S4 Ag10 109.8(11) . . ?
C81 S4 Ag12 110.8(11) . . ?
C81 S4 Ag13 116.8(12) . . ?
Ag2 S5 Ag3 86.0(2) . 11 ?
Ag13 S5 Ag2 130.4(4) . . ?
Ag13 S5 Ag3 108.1(3) . 11 ?
Ag14 S5 Ag2 71.8(2) . . ?
Ag14 S5 Ag3 147.9(3) . 11 ?
Ag14 S5 Ag13 72.5(2) . . ?
C61 S5 Ag2 112.3(9) . . ?
C61 S5 Ag3 108.1(10) . 11 ?
C61 S5 Ag13 107.8(9) . . ?
C61 S5 Ag14 101.7(10) . . ?
Ag7 S6 Ag4 73.0(2) . . ?
Ag7 S6 Ag12 75.9(2) . . ?
Ag12 S6 Ag4 134.3(3) . . ?
Ag14 S6 Ag4 106.2(3) . . ?
Ag14 S6 Ag7 137.3(3) . . ?
Ag14 S6 Ag12 76.0(2) . . ?
C111 S6 Ag4 114.9(11) . . ?
C111 S6 Ag7 110.8(14) . . ?
C111 S6 Ag12 107.0(10) . . ?
C111 S6 Ag14 107.9(14) . . ?
O21A Ag15 O21A 66.5(8) 11 . ?
O21A Ag15 O21A 154.2(6) 14 . ?
O21A Ag15 O21A 119.9(10) 8 . ?
O21A Ag15 O21A 66.5(8) 14 8 ?
O21A Ag15 O21A 119.9(10) 14 11 ?
O21A Ag15 O21A 154.2(6) 8 11 ?
O22A Ag15 O21A 37.6(3) 8 8 ?
O22A Ag15 O21A 37.6(3) . . ?
O22A Ag15 O21A 128.4(6) 11 8 ?
O22A Ag15 O21A 37.6(3) 14 14 ?
O22A Ag15 O21A 128.4(6) 14 . ?
O22A Ag15 O21A 104.1(7) . 11 ?
O22A Ag15 O21A 85.8(8) . 8 ?
O22A Ag15 O21A 37.6(3) 11 11 ?
O22A Ag15 O21A 104.1(7) 11 . ?
O22A Ag15 O21A 128.4(6) . 14 ?
O22A Ag15 O21A 85.8(8) 8 . ?
O22A Ag15 O21A 128.4(6) 8 11 ?
O22A Ag15 O21A 85.8(8) 11 14 ?
O22A Ag15 O21A 104.1(7) 8 14 ?
O22A Ag15 O21A 85.8(8) 14 11 ?
O22A Ag15 O21A 104.1(7) 14 8 ?
O22A Ag15 O22A 135.1(11) . 14 ?
O22A Ag15 O22A 141.8(8) 14 8 ?
O22A Ag15 O22A 141.8(8) . 11 ?
O22A Ag15 O22A 60.4(8) 11 14 ?
O22A Ag15 O22A 60.4(8) . 8 ?
O22A Ag15 O22A 135.1(11) 11 8 ?
S8 Ag16 S7 112.8(2) . . ?
S8 Ag16 S9 103.5(2) . . ?
S9 Ag16 S7 104.3(2) . . ?
O21A Ag16 S7 122.6(4) 11 . ?
O21A Ag16 S8 66.9(3) 11 . ?
O21A Ag16 S9 132.5(5) 11 . ?
Ag18 Ag17 Ag18 104.84(12) . 14 ?
O19 Ag17 Ag18 137.2(4) . 14 ?
O19 Ag17 Ag18 137.2(4) 14 . ?
O19 Ag17 Ag18 79.6(4) . . ?
O19 Ag17 Ag18 79.6(4) 14 14 ?
O19 Ag17 O19 126.1(8) . 14 ?
O19 Ag17 S9 86.2(4) 14 . ?
O19 Ag17 S9 86.2(4) . 14 ?
O19 Ag17 S9 96.4(4) . . ?
O19 Ag17 S9 96.5(4) 14 14 ?
S9 Ag17 Ag18 54.54(17) 14 14 ?
S9 Ag17 Ag18 121.14(17) 14 . ?
S9 Ag17 Ag18 54.54(17) . . ?
S9 Ag17 Ag18 121.14(17) . 14 ?
S9 Ag17 S9 174.1(3) 14 . ?
Ag17 Ag18 Ag19 96.04(9) . . ?
Ag17 Ag18 Ag20 133.31(9) . . ?
Ag19 Ag18 Ag20 59.81(8) . . ?
O27 Ag18 Ag17 135.6(7) . . ?
O27 Ag18 Ag19 87.4(6) . . ?
O27 Ag18 Ag20 86.1(6) . . ?
O27 Ag18 S9 97.8(6) . . ?
O27 Ag18 S11 110.8(6) . . ?
S9 Ag18 Ag17 54.51(17) . . ?
S9 Ag18 Ag19 51.12(17) . . ?
S9 Ag18 Ag20 110.40(18) . . ?
S11 Ag18 Ag17 109.91(16) . . ?
S11 Ag18 Ag19 108.40(17) . . ?
S11 Ag18 Ag20 53.84(16) . . ?
S11 Ag18 S9 144.6(2) . . ?
Ag20 Ag19 Ag18 60.20(8) . . ?
S9 Ag19 Ag18 53.95(18) . . ?
S9 Ag19 Ag20 113.6(2) . . ?
S9 Ag19 S10 157.5(3) . . ?
S10 Ag19 Ag18 114.34(19) . . ?
S10 Ag19 Ag20 55.58(17) . . ?
Ag18 Ag20 Ag21 131.55(9) . . ?
Ag18 Ag20 Ag22 98.60(9) . . ?
Ag19 Ag20 Ag18 59.99(8) . . ?
Ag19 Ag20 Ag21 95.31(10) . . ?
Ag19 Ag20 Ag22 126.00(11) . . ?
Ag22 Ag20 Ag21 60.91(8) . . ?
O26 Ag20 Ag18 143.5(14) . . ?
O26 Ag20 Ag19 132.0(17) . . ?
O26 Ag20 Ag21 84.6(14) . . ?
O26 Ag20 Ag22 95.8(17) . . ?
O26 Ag20 O28 79.5(18) . . ?
O26 Ag20 S10 96.2(15) . . ?
O26 Ag20 S11 118.2(16) . . ?
O28 Ag20 Ag18 72.2(9) . . ?
O28 Ag20 Ag19 72.9(11) . . ?
O28 Ag20 Ag21 144.1(11) . . ?
O28 Ag20 Ag22 152.3(11) . . ?
O28 Ag20 S10 97.8(11) . . ?
O28 Ag20 S11 106.3(11) . . ?
S10 Ag20 Ag18 109.93(19) . . ?
S10 Ag20 Ag19 51.25(19) . . ?
S10 Ag20 Ag21 52.00(19) . . ?
S10 Ag20 Ag22 109.85(19) . . ?
S11 Ag20 Ag18 52.14(19) . . ?
S11 Ag20 Ag19 107.03(19) . . ?
S11 Ag20 Ag21 109.58(19) . . ?
S11 Ag20 Ag22 51.80(19) . . ?
S11 Ag20 S10 140.6(2) . . ?
Ag20 Ag21 Ag22 58.85(8) . . ?
Ag20 Ag21 Ag24 100.66(10) . . ?
Ag23 Ag21 Ag20 123.29(11) . . ?
Ag23 Ag21 Ag22 94.71(10) . . ?
Ag23 Ag21 Ag24 59.71(8) . . ?
Ag24 Ag21 Ag22 133.04(10) . . ?
O24A Ag21 Ag20 147.6(13) . . ?
O24A Ag21 Ag22 145.6(12) . . ?
O24A Ag21 Ag23 82.7(13) . . ?
O24A Ag21 Ag24 74.6(12) . . ?
O24A Ag21 S10 104.0(12) . . ?
O24A Ag21 S12 102.5(12) . . ?
S10 Ag21 Ag20 53.98(15) . . ?
S10 Ag21 Ag22 109.76(17) . . ?
S10 Ag21 Ag23 104.93(17) . . ?
S10 Ag21 Ag24 51.81(15) . . ?
S12 Ag21 Ag20 108.75(19) . . ?
S12 Ag21 Ag22 52.33(17) . . ?
S12 Ag21 Ag23 52.75(17) . . ?
S12 Ag21 Ag24 112.01(18) . . ?
S12 Ag21 S10 142.2(3) . . ?
Ag20 Ag22 Ag21 60.24(8) . . ?
Ag20 Ag22 Ag27 132.26(10) . . ?
Ag20 Ag22 Ag28 103.07(10) . . ?
Ag21 Ag22 Ag27 97.34(8) . . ?
Ag21 Ag22 Ag28 130.10(9) . . ?
Ag28 Ag22 Ag27 57.49(7) . . ?
O18 Ag22 Ag20 151.0(9) . . ?
O18 Ag22 Ag21 138.6(10) . . ?
O18 Ag22 Ag27 73.9(9) . . ?
O18 Ag22 Ag28 79.7(10) . . ?
O18 Ag22 S11 110.2(10) . . ?
O18 Ag22 S12 96.9(10) . . ?
S11 Ag22 Ag20 53.60(17) . . ?
S11 Ag22 Ag21 110.62(19) . . ?
S11 Ag22 Ag27 111.26(17) . . ?
S11 Ag22 Ag28 56.44(16) . . ?
S11 Ag22 S12 142.3(2) . . ?
S12 Ag22 Ag20 109.7(2) . . ?
S12 Ag22 Ag21 51.89(19) . . ?
S12 Ag22 Ag27 51.15(18) . . ?
S12 Ag22 Ag28 106.01(19) . . ?
Ag21 Ag23 Ag24 61.80(8) . . ?
O20 Ag23 Ag21 76.6(3) . . ?
O20 Ag23 Ag24 89.0(3) . . ?
S8 Ag23 Ag21 115.45(19) 11 . ?
S8 Ag23 Ag24 54.16(16) 11 . ?
S8 Ag23 O20 94.4(3) 11 . ?
S8 Ag23 S12 162.7(3) 11 . ?
S12 Ag23 Ag21 53.95(19) . . ?
S12 Ag23 Ag24 115.3(2) . . ?
S12 Ag23 O20 70.6(3) . . ?
Ag23 Ag24 Ag21 58.49(7) . . ?
Ag25 Ag24 Ag21 131.55(9) . . ?
Ag25 Ag24 Ag23 95.86(9) . . ?
O23 Ag24 Ag21 85.9(6) . . ?
O23 Ag24 Ag23 88.6(6) . . ?
O23 Ag24 Ag25 137.8(6) . . ?
O23 Ag24 S8 98.9(7) . 11 ?
O23 Ag24 S10 112.1(7) . . ?
S8 Ag24 Ag21 109.44(18) 11 . ?
S8 Ag24 Ag23 51.41(17) 11 . ?
S8 Ag24 Ag25 55.26(16) 11 . ?
S10 Ag24 Ag21 52.53(19) . . ?
S10 Ag24 Ag23 104.47(18) . . ?
S10 Ag24 Ag25 107.23(19) . . ?
S10 Ag24 S8 140.8(2) . 11 ?
Ag24 Ag25 Ag24 101.70(12) . 11 ?
O21 Ag25 Ag24 149.9(3) 11 . ?
O21 Ag25 Ag24 76.8(3) 11 11 ?
O21 Ag25 Ag24 149.9(3) . 11 ?
O21 Ag25 Ag24 76.8(3) . . ?
O21 Ag25 O21 119.3(5) . 11 ?
O21 Ag25 S8 86.2(4) . 11 ?
O21 Ag25 S8 86.2(4) 11 . ?
O21 Ag25 S8 98.6(4) 11 11 ?
O21 Ag25 S8 98.5(4) . . ?
S8 Ag25 Ag24 118.08(17) . . ?
S8 Ag25 Ag24 55.04(14) . 11 ?
S8 Ag25 Ag24 55.04(14) 11 . ?
S8 Ag25 Ag24 118.08(17) 11 11 ?
S8 Ag25 S8 170.7(3) 11 . ?
O21A Ag25 Ag24 163.5(4) . 11 ?
O21A Ag25 Ag24 163.5(4) 11 . ?
O21A Ag25 Ag24 94.6(4) . . ?
O21A Ag25 Ag24 94.6(4) 11 11 ?
O21A Ag25 O21 88.1(4) 11 . ?
O21A Ag25 O21 37.0(2) 11 11 ?
O21A Ag25 O21 88.1(4) . 11 ?
O21A Ag25 O21 37.0(2) . . ?
O21A Ag25 S8 118.1(5) . . ?
O21A Ag25 S8 70.2(5) 11 . ?
O21A Ag25 S8 70.2(5) . 11 ?
O21A Ag25 S8 118.1(5) 11 11 ?
O21A Ag25 O21A 69.1(8) . 11 ?
Ag27 Ag26 Ag27 122.66(14) . 8 ?
O22 Ag26 Ag27 144.9(3) 8 . ?
O22 Ag26 Ag27 75.7(4) . . ?
O22 Ag26 Ag27 75.7(4) 8 8 ?
O22 Ag26 Ag27 144.9(3) . 8 ?
O22 Ag26 O22 107.0(8) 8 . ?
O22 Ag26 S7 91.0(3) . 14 ?
O22 Ag26 S7 94.1(3) . 11 ?
O22 Ag26 S7 94.1(3) 8 14 ?
O22 Ag26 S7 91.0(3) 8 11 ?
S7 Ag26 Ag27 123.99(18) 14 8 ?
S7 Ag26 Ag27 123.99(19) 11 . ?
S7 Ag26 Ag27 50.87(18) 11 8 ?
S7 Ag26 Ag27 50.87(18) 14 . ?
S7 Ag26 S7 171.4(4) 14 11 ?
Ag22 Ag27 Ag26 135.51(11) . . ?
Ag28 Ag27 Ag22 60.80(7) . . ?
Ag28 Ag27 Ag26 99.49(9) . . ?
O5 Ag27 Ag22 110.9(11) . . ?
O5 Ag27 Ag26 113.1(10) . . ?
O5 Ag27 Ag28 107.0(9) . . ?
O5 Ag27 O6 44.5(10) . . ?
O5 Ag27 S7 101.5(7) . 14 ?
O5 Ag27 S12 112.4(7) . . ?
O6 Ag27 Ag22 146.1(8) . . ?
O6 Ag27 Ag26 75.7(10) . . ?
O6 Ag27 Ag28 138.7(7) . . ?
S7 Ag27 Ag22 113.95(18) 14 . ?
S7 Ag27 Ag26 50.43(14) 14 . ?
S7 Ag27 Ag28 55.18(15) 14 . ?
S7 Ag27 O6 96.2(7) 14 . ?
S12 Ag27 Ag22 52.00(17) . . ?
S12 Ag27 Ag26 113.85(18) . . ?
S12 Ag27 Ag28 109.97(19) . . ?
S12 Ag27 O6 109.3(6) . . ?
S12 Ag27 S7 146.0(3) . 14 ?
Ag27 Ag28 Ag22 61.71(7) . . ?
C26 Ag28 Ag22 134.9(6) 14 . ?
C26 Ag28 Ag27 163.4(6) 14 . ?
C26 Ag28 S11 86.8(6) 14 . ?
O17 Ag28 Ag22 80.0(8) . . ?
O17 Ag28 Ag27 82.7(8) . . ?
O17 Ag28 C26 99.2(11) . 14 ?
O17 Ag28 S7 104.7(7) . 14 ?
O17 Ag28 S11 100.6(7) . . ?
S7 Ag28 Ag22 112.63(18) 14 . ?
S7 Ag28 Ag27 52.90(18) 14 . ?
S7 Ag28 C26 111.1(6) 14 14 ?
S7 Ag28 S11 145.7(2) 14 . ?
S11 Ag28 Ag22 49.96(16) . . ?
S11 Ag28 Ag27 109.15(17) . . ?
C3 C2 C1 120.0 . . ?
C2 C3 C4 120.0 . . ?
C3 C4 C5 120.0 . . ?
C3 C4 C7 118(2) . . ?
C5 C4 C7 122(2) . . ?
C6 C5 C4 120.0 . . ?
C5 C6 C1 120.0 . . ?
C2 C1 S11 121.4(13) . . ?
C6 C1 C2 120.0 . . ?
C6 C1 S11 118.2(12) . . ?
C8 C7 C4 115(3) . . ?
C9 C7 C4 110(3) . . ?
C9 C7 C8 104(3) . . ?
C10 C7 C4 114(3) . . ?
C10 C7 C8 105(3) . . ?
C10 C7 C9 108(3) . . ?
C12 C11 S12 121(3) . . ?
C16 C11 C12 119(4) . . ?
C16 C11 S12 120(3) . . ?
C11 C12 C13 120(4) . . ?
C14 C13 C12 122(4) . . ?
C13 C14 C15 121(4) . . ?
C13 C14 C17 121(3) . . ?
C15 C14 C17 118(3) . . ?
C14 C15 C16 116(3) . . ?
C11 C16 C15 122(3) . . ?
C14 C17 C19 107(3) . . ?
C18 C17 C14 107(3) . . ?
C18 C17 C19 113(3) . . ?
C20 C17 C14 114(3) . . ?
C20 C17 C18 113(4) . . ?
C20 C17 C19 102(4) . . ?
C22 C21 S9 118(2) . . ?
C26 C21 C22 120(3) . . ?
C26 C21 S9 123(2) . . ?
C23 C22 C21 115(3) . . ?
C24 C23 C22 125(3) . . ?
C23 C24 C25 117(3) . . ?
C23 C24 C27 119(3) . . ?
C25 C24 C27 124(3) . . ?
C26 C25 C24 119(3) . . ?
C21 C26 Ag28 101.9(18) . 14 ?
C25 C26 Ag28 91(2) . 14 ?
C25 C26 C21 124(3) . . ?
C28 C27 C24 102(3) . . ?
C29 C27 C24 110(3) . . ?
C29 C27 C28 108(3) . . ?
C30 C27 C24 112(3) . . ?
C30 C27 C28 112(3) . . ?
C30 C27 C29 112(3) . . ?
C32 C31 C36 119(3) . . ?
C32 C31 S8 122(3) . . ?
C36 C31 S8 119(2) . . ?
C31 C32 C33 120(3) . . ?
C34 C33 C32 124(3) . . ?
C33 C34 C35 118(3) . . ?
C33 C34 C37 127(3) . . ?
C35 C34 C37 115(3) . . ?
C34 C35 C36 117(3) . . ?
C31 C36 C35 122(3) . . ?
C38 C37 C34 109(3) . . ?
C38 C37 C39 103(4) . . ?
C39 C37 C34 113(3) . . ?
C40 C37 C34 111(3) . . ?
C40 C37 C38 116(4) . . ?
C40 C37 C39 106(4) . . ?
C42 C41 C46 117(3) . . ?
C42 C41 S10 124(3) . . ?
C46 C41 S10 119(2) . . ?
C41 C42 C43 121(3) . . ?
C42 C43 C44 123(3) . . ?
C43 C44 C47 123(3) . . ?
C45 C44 C43 116(3) . . ?
C45 C44 C47 121(3) . . ?
C44 C45 C46 122(3) . . ?
C41 C46 C45 121(3) . . ?
C44 C47 C48 107(3) . . ?
C44 C47 C49 111(3) . . ?
C49 C47 C48 105(4) . . ?
C50 C47 C44 110(4) . . ?
C50 C47 C48 111(4) . . ?
C50 C47 C49 112(4) . . ?
C52 C51 C56 121(3) . . ?
C52 C51 S7 119(2) . . ?
C56 C51 S7 119(2) . . ?
C51 C52 C53 121(3) . . ?
C54 C53 C52 117(3) . . ?
C53 C54 C55 121(3) . . ?
C53 C54 C57 117(2) . . ?
C55 C54 C57 123(2) . . ?
C56 C55 C54 120(3) . . ?
C55 C56 C51 120(3) . . ?
C58 C57 C54 111(3) . . ?
C58 C57 C59 103(3) . . ?
C58 C57 C60 111(3) . . ?
C59 C57 C54 111(2) . . ?
C59 C57 C60 111(3) . . ?
C60 C57 C54 110(3) . . ?
O17 C121 C122 113(3) . . ?
O17 C121 O18 134(5) . . ?
O18 C121 C122 100(3) . . ?
F16 C122 C121 118(3) . . ?
F16 C122 F17 104(3) . . ?
F16 C122 F18 111(3) . . ?
F17 C122 C121 113(3) . . ?
F17 C122 F18 96(3) . . ?
F18 C122 C121 113(3) . . ?
O23 C123 C124 122.4(18) . . ?
O23 C123 O24 113(3) . . ?
O23 C123 O24A 116(3) . . ?
O24 C123 C124 108(2) . . ?
O24A C123 C124 113(2) . . ?
O24A C123 O24 74(3) . . ?
F19 C124 C123 107.0(8) . . ?
F19 C124 F20 112.0(9) . . ?
F19 C124 F21 111.7(9) . . ?
F20 C124 C123 106.9(8) . . ?
F20 C124 F21 111.9(9) . . ?
F21 C124 C123 106.9(8) . . ?
F13 C125 C126 106.3(8) . . ?
F13 C125 F15 112.3(9) . . ?
F14 C125 C126 106.3(8) . . ?
F14 C125 F13 112.6(9) . . ?
F14 C125 F15 112.3(9) . . ?
F15 C125 C126 106.4(8) . . ?
O25 C126 C125 99(4) . . ?
O25 C126 O26 140(6) . . ?
O26 C126 C125 118(5) . . ?
O27 C127 C128 113(3) . . ?
O27 C127 O28 116(4) . . ?
O27 C127 O28A 131(3) . . ?
O28 C127 C128 119(3) . . ?
O28 C127 O28A 73(3) . . ?
O28A C127 C128 100(3) . . ?
F25 C128 C127 102(3) . . ?
F25A C128 C127 114(4) . . ?
F25A C128 F25 38(3) . . ?
F25A C128 F26A 112(4) . . ?
F25A C128 F27A 109(4) . . ?
F26 C128 C127 110(4) . . ?
F26 C128 F25 99(4) . . ?
F26 C128 F25A 61(3) . . ?
F26 C128 F26A 60(3) . . ?
F26 C128 F27A 145(4) . . ?
F26A C128 C127 117(4) . . ?
F26A C128 F25 140(3) . . ?
F26A C128 F27A 100(4) . . ?
F27 C128 C127 127(4) . . ?
F27 C128 F25 101(4) . . ?
F27 C128 F25A 113(4) . . ?
F27 C128 F26 112(4) . . ?
F27 C128 F26A 64(4) . . ?
F27 C128 F27A 37(3) . . ?
F27A C128 C127 104(3) . . ?
F27A C128 F25 78(4) . . ?
O5 C137 C138 127(4) . . ?
O6 C137 C138 136(4) . . ?
O6 C137 O5 97(4) . . ?
F22 C138 C137 103.2(9) . . ?
F23 C138 C137 102.9(9) . . ?
F23 C138 F22 108.2(10) . . ?
F24 C138 C137 96(4) . . ?
F24 C138 F22 134(4) . . ?
F24 C138 F23 108(4) . . ?
O19 Cr2 O20 103.6(7) . . ?
O19 Cr2 O22 124.2(9) . . ?
O19 Cr2 O20A 99.8(7) . . ?
O19 Cr2 O21A 139.4(9) . . ?
O19 Cr2 O22A 90.6(10) . . ?
O20 Cr2 O22 60.3(6) . . ?
O20 Cr2 O20A 58.6(4) . . ?
O20 Cr2 O21A 113.7(9) . . ?
O20 Cr2 O22A 115.1(9) . . ?
O21 Cr2 O19 122.4(9) . . ?
O21 Cr2 O20 107.0(5) . . ?
O21 Cr2 O22 113.3(8) . . ?
O21 Cr2 O20A 60.1(4) . . ?
O21 Cr2 O21A 61.6(5) . . ?
O21 Cr2 O22A 117.3(7) . . ?
O22 Cr2 O20A 110.4(5) . . ?
O21A Cr2 O22 66.8(11) . . ?
O21A Cr2 O20A 112.7(6) . . ?
O22A Cr2 O22 59.7(6) . . ?
O22A Cr2 O20A 168.8(8) . . ?
O22A Cr2 O21A 59.8(5) . . ?
C138 F22 C138 166(3) 8 . ?
F25A F25 C128 59(4) . . ?
C128 F25A F26 58(3) . . ?
F25 F25A C128 83(5) . . ?
F25 F25A F26 141(6) . . ?
C128 F26 F25A 61(3) . . ?
C128 F26 F26A 62(4) . . ?
F26A F26 F25A 112(5) . . ?
C128 F26A F27 55(3) . . ?
F26 F26A C128 58(4) . . ?
F26 F26A F27 104(5) . . ?
C128 F27 F26A 62(4) . . ?
F27A F27 C128 81(6) . . ?
F27A F27 F26A 140(7) . . ?
F27 F27A C128 62(5) . . ?
C137 O5 Ag27 112(4) . . ?
C137 O6 Ag27 106(3) . . ?
C121 O17 Ag28 115(2) . . ?
C121 O18 Ag22 121(3) . . ?
Cr2 O19 Ag17 123.1(10) . . ?
Cr2 O20 Ag23 127.0(7) . . ?
Cr2 O20 O22 60.7(9) . . ?
Cr2 O20 O20A 63.9(4) . . ?
O22 O20 Ag23 81.4(6) . . ?
O20A O20 Ag23 108.8(5) . . ?
O20A O20 O22 115.1(11) . . ?
Cr2 O21 Ag25 131.8(8) . . ?
Cr2 O21 O20A 65.4(5) . . ?
Cr2 O21 O21A 62.1(5) . . ?
O20A O21 Ag25 133.9(5) . . ?
O21A O21 Ag25 71.4(7) . . ?
O21A O21 O20A 117.5(9) . . ?
Cr2 O22 Ag26 126.6(6) . . ?
Cr2 O22 O21A 56.5(8) . . ?
O20 O22 Ag26 114.8(11) . . ?
O20 O22 Cr2 59.0(6) . . ?
O20 O22 O21A 104.5(12) . . ?
O21A O22 Ag26 133.2(7) . . ?
O22A O22 Ag26 84.1(8) . . ?
O22A O22 Cr2 59.9(6) . . ?
O22A O22 O20 114.1(9) . . ?
O22A O22 O21A 56.4(8) . . ?
C123 O23 Ag24 124.7(17) . . ?
C123 O24 O24A 52(3) . . ?
C123 O24A Ag21 131(3) . . ?
C123 O24A O24 54(3) . . ?
O24 O24A Ag21 103(3) . . ?
C126 O26 Ag20 114(5) . . ?
C127 O27 Ag18 119.6(19) . . ?
C127 O28 Ag20 134(3) . . ?
C127 O28 O28A 60(3) . . ?
O28A O28 Ag20 116(3) . . ?
C127 O28A O28 47.0(17) . . ?
Ag26 S7 Ag16 83.4(2) 14 . ?
Ag26 S7 Ag27 78.7(2) 14 14 ?
Ag26 S7 Ag28 135.9(3) 14 14 ?
Ag27 S7 Ag16 145.7(3) 14 . ?
Ag27 S7 Ag28 71.92(19) 14 14 ?
Ag28 S7 Ag16 103.0(3) 14 . ?
C51 S7 Ag16 111.9(10) . . ?
C51 S7 Ag26 106.4(8) . 14 ?
C51 S7 Ag27 101.2(10) . 14 ?
C51 S7 Ag28 111.0(8) . 14 ?
Ag23 S8 Ag16 101.2(3) 11 . ?
Ag23 S8 Ag24 74.43(18) 11 11 ?
Ag23 S8 Ag25 123.4(2) 11 . ?
Ag24 S8 Ag16 149.4(3) 11 . ?
Ag24 S8 Ag25 69.70(18) 11 . ?
Ag25 S8 Ag16 89.4(2) . . ?
C31 S8 Ag16 111.2(9) . . ?
C31 S8 Ag23 107.0(11) . 11 ?
C31 S8 Ag24 98.8(9) . 11 ?
C31 S8 Ag25 120.4(12) . . ?
Ag17 S9 Ag16 91.0(2) . . ?
Ag17 S9 Ag18 71.0(2) . . ?
Ag18 S9 Ag16 153.9(3) . . ?
Ag19 S9 Ag16 103.2(2) . . ?
Ag19 S9 Ag17 126.3(3) . . ?
Ag19 S9 Ag18 74.9(2) . . ?
C21 S9 Ag16 107.3(9) . . ?
C21 S9 Ag17 117.0(10) . . ?
C21 S9 Ag18 97.9(9) . . ?
C21 S9 Ag19 107.7(10) . . ?
Ag19 S10 Ag20 73.2(2) . . ?
Ag19 S10 Ag21 129.5(3) . . ?
Ag19 S10 Ag24 105.5(3) . . ?
Ag21 S10 Ag20 74.0(2) . . ?
Ag24 S10 Ag20 137.4(3) . . ?
Ag24 S10 Ag21 75.7(2) . . ?
C41 S10 Ag19 115.7(13) . . ?
C41 S10 Ag20 109.7(10) . . ?
C41 S10 Ag21 111.0(14) . . ?
C41 S10 Ag24 108.8(10) . . ?
Ag18 S11 Ag20 74.0(2) . . ?
Ag18 S11 Ag28 108.3(2) . . ?
Ag20 S11 Ag28 133.6(3) . . ?
Ag22 S11 Ag18 135.8(3) . . ?
Ag22 S11 Ag20 74.6(2) . . ?
Ag22 S11 Ag28 73.6(2) . . ?
C1 S11 Ag18 109.3(8) . . ?
C1 S11 Ag20 108.3(9) . . ?
C1 S11 Ag22 109.6(9) . . ?
C1 S11 Ag28 113.8(9) . . ?
Ag21 S12 Ag22 75.8(2) . . ?
Ag23 S12 Ag21 73.3(2) . . ?
Ag23 S12 Ag22 126.6(3) . . ?
Ag23 S12 Ag27 98.6(3) . . ?
Ag27 S12 Ag21 137.5(3) . . ?
Ag27 S12 Ag22 76.9(2) . . ?
C11 S12 Ag21 105.5(12) . . ?
C11 S12 Ag22 110.2(13) . . ?
C11 S12 Ag23 119.5(12) . . ?
C11 S12 Ag27 114.2(12) . . ?
C139 C139 C140 123(4) 14_545 . ?
C139 C139 N4 63(3) 14_545 . ?
C139 C139 O15 61(3) 14_545 . ?
N4 C139 C140 63(3) . . ?
O15 C139 C140 163(5) . . ?
O15 C139 N4 124(5) . . ?
C141 C140 C139 108(5) . . ?
C141 C140 N4 64(4) . . ?
N4 C140 C139 46(3) . . ?
C140 C141 C141 121(4) . 14_545 ?
C140 C141 N4 65(3) . . ?
N4 C141 C141 58(2) . 14_545 ?
C139 N4 C139 54(5) 14_545 . ?
C139 N4 C140 123(4) 14_545 . ?
C139 N4 C140 123(4) . 14_545 ?
C139 N4 C140 72(3) 14_545 14_545 ?
C139 N4 C140 72(3) . . ?
C139 N4 C141 174(4) . 14_545 ?
C139 N4 C141 174(4) 14_545 . ?
C139 N4 C141 121(3) . . ?
C139 N4 C141 121(3) 14_545 14_545 ?
C140 N4 C140 166(4) 14_545 . ?
C141 N4 C140 51(3) 14_545 14_545 ?
C141 N4 C140 51(3) . . ?
C141 N4 C140 115(3) 14_545 . ?
C141 N4 C140 115(3) . 14_545 ?
C141 N4 C141 65(5) 14_545 . ?
C139 O15 C139 58(6) . 14_545 ?
C148 C148 C149 111.3(17) 14 . ?
C148 C148 N2 60(2) 14 . ?
N2 C148 C149 51(2) . . ?
O32 C148 C148 58(2) . 14 ?
O32 C148 C149 169(4) . . ?
O32 C148 N2 118(3) . . ?
C150 C149 C148 117.0(17) . . ?
C150 C149 N2 73.7(13) . . ?
N2 C149 C148 43.3(17) . . ?
C149 C150 C150 131.7(16) . 14 ?
C149 C150 N2 73.2(15) . . ?
N2 C150 C150 58.5(12) . 14 ?
C148 N2 C148 59(4) 14 . ?
C148 N2 C149 86(3) . . ?
C148 N2 C149 145(3) . 14 ?
C148 N2 C149 145(3) 14 . ?
C148 N2 C149 86(3) 14 14 ?
C148 N2 C150 119(2) 14 14 ?
C148 N2 C150 119(2) . . ?
C148 N2 C150 178(3) . 14 ?
C148 N2 C150 178(3) 14 . ?
C149 N2 C149 129(4) . 14 ?
C149 N2 C150 33(2) 14 14 ?
C149 N2 C150 96(3) 14 . ?
C149 N2 C150 96(3) . 14 ?
C149 N2 C150 33(2) . . ?
C150 N2 C150 63(2) 14 . ?
C148 O32 C148 64(4) . 14 ?
C145 C145 C147 123(4) 11 11 ?
C145 C145 N1 65(3) 11 . ?
C145 C145 O31 64(3) 11 . ?
N1 C145 C147 60(3) . 11 ?
O31 C145 C147 168(6) . 11 ?
O31 C145 N1 129(5) . . ?
C147 C146 C146 109(6) 11 11 ?
C147 C146 N1 62(4) 11 . ?
N1 C146 C146 54(3) . 11 ?
C146 C147 C145 111(6) 11 11 ?
C146 C147 N1 63(4) 11 . ?
N1 C147 C145 51(3) . 11 ?
C145 N1 C145 51(6) 11 . ?
C145 N1 C146 167(5) 11 . ?
C145 N1 C146 167(5) . 11 ?
C145 N1 C146 120(4) 11 11 ?
C145 N1 C146 120(4) . . ?
C145 N1 C147 69(4) 11 . ?
C145 N1 C147 69(4) . 11 ?
C145 N1 C147 119(4) 11 11 ?
C145 N1 C147 119(4) . . ?
C146 N1 C146 71(6) 11 . ?
C147 N1 C146 54(4) 11 . ?
C147 N1 C146 117(5) . . ?
C147 N1 C146 117(5) 11 11 ?
C147 N1 C146 54(4) . 11 ?
C147 N1 C147 171(6) . 11 ?
C145 O31 C145 52(6) . 11 ?
Ag1 O2A Ag3 89.6(5) . 11 ?
Ag1 O2A Ag11 111.2(3) . . ?
Ag11 O2A Ag3 93.2(5) . 11 ?
Cr1 O2A Ag1 108.1(9) . . ?
Cr1 O2A Ag3 141.5(4) . 11 ?
Cr1 O2A Ag11 110.5(9) . . ?
O2 O2A Ag1 157.4(5) . . ?
O2 O2A Ag3 112.9(9) . 11 ?
O2 O2A Ag11 66.5(13) . . ?
O2 O2A Cr1 56.0(10) . . ?
O2 O2A O1 115.0(14) . . ?
O1 O2A Ag1 61.4(5) . . ?
O1 O2A Ag3 98.7(6) . 11 ?
O1 O2A Ag11 165.7(4) . . ?
O1 O2A Cr1 63.8(8) . . ?
O2 O3A Cr1 54.7(11) . . ?
O3 O3A Cr1 61(2) . . ?
O3 O3A O2 109(3) . . ?
O20 O20A Cr2 57.5(4) . . ?
O20 O20A O21 101.6(7) . . ?
O21 O20A Cr2 54.5(5) . . ?
Ag15 O21A Ag16 84.6(3) . 11 ?
Ag25 O21A Ag15 112.2(7) . . ?
Ag25 O21A Ag16 92.5(3) . 11 ?
Cr2 O21A Ag15 105.0(6) . . ?
Cr2 O21A Ag16 129.0(12) . 11 ?
Cr2 O21A Ag25 126.3(7) . . ?
Cr2 O21A O22 56.8(8) . . ?
O21 O21A Ag15 120.9(10) . . ?
O21 O21A Ag16 153.3(7) . 11 ?
O21 O21A Ag25 71.6(7) . . ?
O21 O21A Cr2 56.3(5) . . ?
O21 O21A O22 101.4(10) . . ?
O21 O21A O22A 112.5(8) . . ?
O22 O21A Ag15 111.8(7) . . ?
O22 O21A Ag16 73.0(8) . 11 ?
O22 O21A Ag25 131.8(7) . . ?
O22A O21A Ag15 58.7(7) . . ?
O22A O21A Ag16 86.5(11) . 11 ?
O22A O21A Ag25 170.9(10) . . ?
O22A O21A Cr2 60.0(5) . . ?
O22A O21A O22 56.4(8) . . ?
Ag1 O1 Ag2 132.8(6) . . ?
Cr1 O1 Ag1 118.8(6) . . ?
Cr1 O1 Ag2 106.3(5) . . ?
O1A O1 Ag1 152.2(9) . . ?
O1A O1 Ag2 65.3(4) . . ?
O1A O1 Cr1 58.6(11) . . ?
O2A O1 Ag1 77.2(7) . . ?
O2A O1 Ag2 114.2(6) . . ?
O2A O1 Cr1 63.7(7) . . ?
O2A O1 O1A 117.8(15) . . ?
Cr2 O22A Ag15 123.3(11) . . ?
O22 O22A Ag15 143.5(14) . . ?
O22 O22A Cr2 60.4(9) . . ?
O22 O22A O21A 67.2(14) . . ?
O21A O22A Ag15 83.6(9) . . ?
O21A O22A Cr2 60.2(5) . . ?

_olex2_submission_special_instructions 'No special instructions were received'

# SQUEEZE RESULTS (APPEND TO CIF)
# Note: Data are Listed for all Voids in the P1 Unit Cell
# i.e. Centre of Gravity, Solvent Accessible Volume,
# Recovered number of Electrons in the Void and
# Details about the Squeezed Material
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.034 0.930 0.029 119 51 ' '
2 0.216 0.320 0.029 119 51 ' '
3 0.534 0.430 0.029 119 51 ' '
4 0.716 0.820 0.029 119 51 ' '
5 0.312 0.735 0.028 103 45 ' '
6 0.438 0.015 0.028 103 48 ' '
7 0.812 0.235 0.028 103 45 ' '
8 0.938 0.515 0.028 103 48 ' '
9 0.375 0.875 0.129 620 167 ' '
10 0.875 0.375 0.129 620 167 ' '
11 0.375 0.375 0.120 620 170 ' '
12 0.875 0.875 0.120 620 170 ' '
13 0.051 0.368 0.099 27 10 ' '
14 0.199 0.882 0.099 27 9 ' '
15 0.551 0.868 0.099 27 10 ' '
16 0.699 0.382 0.099 27 9 ' '
17 0.051 0.882 0.151 27 10 ' '
18 0.199 0.368 0.151 27 10 ' '
19 0.551 0.382 0.151 27 10 ' '
20 0.699 0.868 0.151 27 10 ' '
21 0.034 0.320 0.221 120 50 ' '
22 0.216 0.930 0.221 119 51 ' '
23 0.312 0.515 0.222 103 47 ' '
24 0.438 0.235 0.222 103 46 ' '
25 0.534 0.820 0.221 120 50 ' '
26 0.716 0.430 0.221 119 51 ' '
27 0.812 1.015 0.222 103 47 ' '
28 0.938 0.735 0.222 103 46 ' '
29 0.284 0.070 0.279 119 50 ' '
30 0.466 0.680 0.279 120 51 ' '
31 0.784 0.570 0.279 119 50 ' '
32 0.966 0.180 0.279 120 51 ' '
33 0.062 0.765 0.278 103 47 ' '
34 0.188 0.485 0.278 103 46 ' '
35 0.562 0.265 0.278 103 47 ' '
36 0.688 0.985 0.278 103 46 ' '
37 0.125 0.625 0.379 620 167 ' '
38 0.625 0.125 0.379 620 167 ' '
39 0.125 0.125 0.370 621 168 ' '
40 0.625 0.625 0.370 621 168 ' '
41 0.301 0.632 0.349 27 9 ' '
42 0.449 0.118 0.349 27 10 ' '
43 0.801 0.132 0.349 27 9 ' '
44 0.949 0.618 0.349 27 10 ' '
45 0.301 0.118 0.401 27 10 ' '
46 0.449 0.632 0.401 27 10 ' '
47 0.801 0.618 0.401 27 10 ' '
48 0.949 0.132 0.401 27 10 ' '
49 -0.034 0.570 0.471 119 52 ' '
50 0.062 -0.015 0.472 103 46 ' '
51 0.188 0.265 0.472 103 48 ' '
52 0.284 0.680 0.471 120 52 ' '
53 0.466 0.070 0.471 119 52 ' '
54 0.562 0.485 0.472 103 46 ' '
55 0.688 0.765 0.472 103 48 ' '
56 0.784 0.180 0.471 120 52 ' '
57 0.034 0.430 0.529 119 51 ' '
58 0.216 0.820 0.529 119 51 ' '
59 0.534 0.930 0.529 119 51 ' '
60 0.716 0.320 0.529 119 51 ' '
61 0.312 0.235 0.528 103 45 ' '
62 0.438 0.515 0.528 103 48 ' '
63 0.812 0.735 0.528 103 45 ' '
64 0.938 0.015 0.528 103 48 ' '
65 0.375 0.375 0.629 620 167 ' '
66 0.875 0.875 0.629 620 167 ' '
67 0.375 0.875 0.620 620 170 ' '
68 0.875 0.375 0.620 620 170 ' '
69 0.051 0.868 0.599 27 10 ' '
70 0.199 0.382 0.599 27 9 ' '
71 0.551 0.368 0.599 27 10 ' '
72 0.699 0.882 0.599 27 9 ' '
73 0.051 0.382 0.651 27 10 ' '
74 0.199 0.868 0.651 27 10 ' '
75 0.551 0.882 0.651 27 10 ' '
76 0.699 0.368 0.651 27 10 ' '
77 0.034 0.820 0.721 120 50 ' '
78 0.216 0.430 0.721 119 51 ' '
79 0.312 1.015 0.722 103 47 ' '
80 0.438 0.735 0.722 103 46 ' '
81 0.534 0.320 0.721 120 50 ' '
82 0.716 0.930 0.721 119 51 ' '
83 0.812 0.515 0.722 103 47 ' '
84 0.938 0.235 0.722 103 46 ' '
85 0.284 0.570 0.779 119 50 ' '
86 0.466 0.180 0.779 120 51 ' '
87 0.784 0.070 0.779 119 50 ' '
88 0.966 0.680 0.779 120 51 ' '
89 0.062 0.265 0.778 103 47 ' '
90 0.188 0.985 0.778 103 46 ' '
91 0.562 0.765 0.778 103 47 ' '
92 0.688 0.485 0.778 103 46 ' '
93 0.125 0.125 0.879 620 167 ' '
94 0.625 0.625 0.879 620 167 ' '
95 0.125 0.625 0.870 621 168 ' '
96 0.625 0.125 0.870 621 168 ' '
97 0.301 0.132 0.849 27 9 ' '
98 0.449 0.618 0.849 27 10 ' '
99 0.801 0.632 0.849 27 9 ' '
100 0.949 0.118 0.849 27 10 ' '
101 0.301 0.618 0.901 27 10 ' '
102 0.449 0.132 0.901 27 10 ' '
103 0.801 0.118 0.901 27 10 ' '
104 0.949 0.632 0.901 27 10 ' '
105 -0.034 0.070 0.971 119 52 ' '
106 0.062 0.485 0.972 103 46 ' '
107 0.188 0.765 0.972 103 48 ' '
108 0.284 0.180 0.971 120 52 ' '
109 0.466 0.570 0.971 119 52 ' '
110 0.562 -0.015 0.972 103 46 ' '
111 0.688 0.265 0.972 103 48 ' '
112 0.784 0.680 0.971 120 52 ' '
_platon_squeeze_details          ?
####################################################################### 
# 
# 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_2
_database_code_depnum_ccdc_archive 'CCDC 1456409'
_audit_update_record             
;
2017-03-04 deposited with the CCDC.
2017-03-20 downloaded from the CCDC.
;
_audit_creation_date             2017-03-02
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.02.23 svn.r3390 for OlexSys, GUI svn.r5320)
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '0.5(C228 H480 Ag80 Cr10 F18 O52 S54)'
_chemical_formula_sum            'C114 H240 Ag40 Cr5 F9 O26 S27'
_chemical_formula_weight         7638.47
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag 0.1306 4.2820 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cr Cr -0.1635 2.4439 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

_cell_length_a                   32.9630(4)
_cell_length_b                   28.7840(4)
_cell_length_c                   21.7978(3)
_cell_angle_alpha                90
_cell_angle_beta                 96.6012(12)
_cell_angle_gamma                90
_cell_volume                     20544.8(5)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    12427
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      69.2220
_cell_measurement_theta_min      4.0780
_shelx_estimated_absorpt_T_max   0.229
_shelx_estimated_absorpt_T_min   0.102
_exptl_absorpt_coefficient_mu    34.880
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.26461
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    2.470
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             14580
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.06
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0647
_diffrn_reflns_av_unetI/netI     0.0851
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.981
_diffrn_reflns_limit_h_max       39
_diffrn_reflns_limit_h_min       -39
_diffrn_reflns_limit_k_max       35
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            38362
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.981
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         70.083
_diffrn_reflns_theta_min         2.996
_diffrn_ambient_temperature      173.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device_type  'four-circle diffractometer'
_diffrn_measurement_method       ?
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                12273
_reflns_number_total             19147
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    ?
_refine_diff_density_max         3.591
_refine_diff_density_min         -2.106
_refine_diff_density_rms         0.230
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1144
_refine_ls_number_reflns         19147
_refine_ls_number_restraints     421
_refine_ls_R_factor_all          0.1091
_refine_ls_R_factor_gt           0.0717
_refine_ls_restrained_S_all      1.036
_refine_ls_shift/su_max          0.057
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1278P)²+22.5130P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1899
_refine_ls_wR_factor_ref         0.2231
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, {H58C,H58D} of C58A, {H58A,H58B} of C58, {H15A,H15B} of
  C15, {H23A,H23B} of C23, {H27A,H27B} of C27, {H19A,H19B} of C19, {H31A,H31B}
  of C31, {H6A,H6B} of C6, {H2A,H2B} of C2, {H11A,H11B} of C11, {H38A,H38B} of
  C38, {H34A,H34B} of C34, All C(H,H,H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, {H51A,H51B} of C51
2. Restrained distances
 C43-O1
 1.25 with sigma of 0.01
 O2-C43
 1.25 with sigma of 0.01
 O1-O2
 2.3 with sigma of 0.01
 C4-C3
 1.55 with sigma of 0.01
 C3-C2
 1.55 with sigma of 0.01
 C2-C1
 1.55 with sigma of 0.01
 C1-C3
 2.35 with sigma of 0.01
 C4-C2
 2.35 with sigma of 0.01
 C58A-C59A
 1.55 with sigma of 0.01
 C17-C19
 2.35 with sigma of 0.01
 C20-C18
 2.35 with sigma of 0.01
 C17-C18
 1.55 with sigma of 0.01
 C18-C19
 1.55 with sigma of 0.01
 C19-C20
 1.55 with sigma of 0.01
 C23-C22
 1.55 with sigma of 0.01
 C43-C44
 1.5 with sigma of 0.02
 F5-C43
 2.35 with sigma of 0.01
 C44-F5
 1.4 with sigma of 0.01
 F5A-F5
 1.4 with sigma of 0.01
 F5-F4A
 1.4 with sigma of 0.01
 F6A-C44
 1.4 with sigma of 0.01
 F4A-C44
 1.4 with sigma of 0.01
 F5A-C44
 1.4 with sigma of 0.01
 F6-F5
 2.35 with sigma of 0.01
 F6-C43
 2.35 with sigma of 0.01
 C44-F6
 1.4 with sigma of 0.01
 F6A-F6
 1.4 with sigma of 0.01
 F6-F5A
 1.4 with sigma of 0.01
 F4-F5
 2.35 with sigma of 0.01
 F6-F4
 2.35 with sigma of 0.01
 F4-C43
 2.35 with sigma of 0.01
 F4-C44
 1.4 with sigma of 0.01
 F4-F4A
 1.4 with sigma of 0.01
 F4-F6A
 1.4 with sigma of 0.01
 C59A-S14A
 1.85 with sigma of 0.01
 C47-C48
 1.55 with sigma of 0.01
 C51-C50
 1.55 with sigma of 0.01
 C57A-C58A
 2.35 with sigma of 0.01
 C57A-S14
 2.85 with sigma of 0.01
 C59A-C57A
 1.55 with sigma of 0.01
 C52A-C50
 2.35 with sigma of 0.01
 C50-C49
 1.55 with sigma of 0.01
 C52A-C49
 1.55 with sigma of 0.01
 C30-C31
 1.55 with sigma of 0.01
 C30-C29
 1.55 with sigma of 0.01
 C60A-C58A
 1.55 with sigma of 0.01
 C60A-C59A
 2.35 with sigma of 0.01
 C59-C60
 1.55 with sigma of 0.01
 C24-C23
 1.55 with sigma of 0.01
 C53A-C55
 2.35 with sigma of 0.01
 C59-C57
 2.35 with sigma of 0.01
 C57-C58
 1.55 with sigma of 0.01
 C52-C50
 2.35 with sigma of 0.01
 C51-C52
 1.55 with sigma of 0.01
3. Restrained planarity
 F4, F4A, F5, F5A, F6, F6A
 with sigma of 0.05
4. Rigid bond restraints
 O1, C43
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 C38, C39
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
5. Uiso/Uaniso restraints and constraints
F1 \\sim F2 \\sim F3 \\sim O3 \\sim C41 \\sim C42: within 1.7A with sigma of
0.004 and sigma for terminal atoms of 0.08
S6 \\sim C1 \\sim C2 \\sim C3 \\sim C4: within 1.7A with sigma of 0.004 and
sigma for terminal atoms of 0.08
C17 \\sim C18 \\sim C19 \\sim C20: within 1.7A with sigma of 0.004 and sigma
for terminal atoms of 0.08
C9 \\sim C10 \\sim C11 \\sim C12: within 1.7A with sigma of 0.004 and sigma for
terminal atoms of 0.08
F4 \\sim F4A \\sim F5 \\sim F5A \\sim F6 \\sim F6A \\sim O1 \\sim O2 \\sim C43
\\sim C44: within 1.7A with sigma of 0.004 and sigma for terminal atoms of 0.08
Ag1 \\sim Ag1 \\sim Ag1A \\sim Ag2 \\sim Ag2 \\sim Ag2A \\sim Ag3 \\sim Ag3
\\sim Ag3A \\sim Ag4 \\sim Ag5 \\sim Ag6 \\sim Ag7 \\sim Ag8 \\sim Ag9 \\sim
Ag10 \\sim Ag11 \\sim Ag13 \\sim Ag14 \\sim Ag15 \\sim Ag16 \\sim Ag19: within
1.7A with sigma of 0.004 and sigma for terminal atoms of 0.08
C45 \\sim C46 \\sim C47 \\sim C48 \\sim C48A: within 1.7A with sigma of 0.001
and sigma for terminal atoms of 0.08
C29 \\sim C30 \\sim C31 \\sim C32: within 1.7A with sigma of 0.004 and sigma
for terminal atoms of 0.08
C21 \\sim C22 \\sim C23 \\sim C24: within 1.7A with sigma of 0.004 and sigma
for terminal atoms of 0.08
C53 \\sim C53A \\sim C54 \\sim C55 \\sim C56: within 1.7A with sigma of 0.004
and sigma for terminal atoms of 0.08
S14 \\sim S14A \\sim C57 \\sim C57A \\sim C58 \\sim C58A \\sim C59 \\sim C59A
\\sim C60 \\sim C60A: within 1.7A with sigma of 0.004 and sigma for terminal
atoms of 0.08
S2 \\sim C49 \\sim C50 \\sim C51 \\sim C52 \\sim C52A: within 1.7A with sigma
of 0.004 and sigma for terminal atoms of 0.08
6. Others
 Fixed Sof: Ag1(0.4) Ag1A(0.4) Ag1B(0.2) Ag2(0.5) Ag2A(0.5) Ag3(0.5) Ag3A(0.5)
 S12(0.5) S14(0.5) S14A(0.5) F1(0.5) F2(0.5) F3(0.5) F4(0.5) F4A(0.5) F5(0.5)
 F5A(0.5) F6(0.5) F6A(0.5) C17(0.5) H17A(0.5) H17B(0.5) H17C(0.5) C18(0.5)
 H18(0.5) C19(0.5) H19A(0.5) H19B(0.5) C20(0.5) H20A(0.5) H20B(0.5) H20C(0.5)
 H47A(0.5) H47B(0.5) H47C(0.5) H47D(0.5) C48(0.5) H48A(0.5) H48B(0.5) H48C(0.5)
 C48A(0.5) H48D(0.5) H48E(0.5) H48F(0.5) C52(0.5) H52A(0.5) H52B(0.5) H52C(0.5)
 C52A(0.5) H52D(0.5) H52E(0.5) H52F(0.5) C53(0.5) H53A(0.5) H53B(0.5) H53C(0.5)
 C53A(0.5) H53D(0.5) H53E(0.5) H53F(0.5) H54A(0.5) H54B(0.5) H54C(0.5) C57(0.5)
 H57A(0.5) H57B(0.5) H57C(0.5) C57A(0.5) H57D(0.5) H57E(0.5) H57F(0.5) C58(0.5)
 H58A(0.5) H58B(0.5) C58A(0.5) H58C(0.5) H58D(0.5) C59(0.5) H59(0.5) C59A(0.5)
 H59A(0.5) C60(0.5) H60A(0.5) H60B(0.5) H60C(0.5) C60A(0.5) H60D(0.5) H60E(0.5)
 H60F(0.5)
7.a Riding coordinates:
 C5(H5A,H5B,H5C), C17(H17A,H17B,H17C), C18(H18), C19(H19A,H19B), C51(H51A,
 H51B), C57A(H57D,H57E,H57F)
7.b Ternary CH refined with riding coordinates:
 C3(H3), C7(H7), C10(H10), C14(H14), C22(H22), C26(H26), C30(H30), C35(H35),
 C39(H39), C46(H46), C55(H55), C59(H59), C59A(H59A)
7.c Secondary CH2 refined with riding coordinates:
 C2(H2A,H2B), C6(H6A,H6B), C11(H11A,H11B), C15(H15A,H15B), C23(H23A,H23B),
 C27(H27A,H27B), C31(H31A,H31B), C34(H34A,H34B), C38(H38A,H38B), C47(H47A,H47B),
  C47(H47C,H47D), C58(H58A,H58B), C58A(H58C,H58D)
7.d Me refined with riding coordinates:
 C1(H1A,H1B,H1C), C4(H4A,H4B,H4C), C8(H8A,H8B,H8C), C9(H9A,H9B,H9C), C12(H12A,
 H12B,H12C), C13(H13A,H13B,H13C), C16(H16A,H16B,H16C), C21(H21A,H21B,H21C),
 C24(H24A,H24B,H24C), C25(H25A,H25B,H25C), C28(H28A,H28B,H28C), C32(H32A,H32B,
 H32C), C33(H33A,H33B,H33C), C36(H36A,H36B,H36C), C37(H37A,H37B,H37C), C40(H40A,
 H40B,H40C), C48A(H48D,H48E,H48F), C49(H49A,H49B,H49C), C52(H52A,H52B,H52C),
 C52A(H52D,H52E,H52F), C53A(H53D,H53E,H53F), C56(H56A,H56B,H56C), C57(H57A,H57B,
 H57C), C60(H60A,H60B,H60C), C60A(H60D,H60E,H60F)
7.e Idealised Me refined as rotating group:
 C20(H20A,H20B,H20C), C29(H29A,H29B,H29C), C45(H45A,H45B,H45C), C48(H48A,H48B,
 H48C), C53(H53A,H53B,H53C), C54(H54A,H54B,H54C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.56397(11) 0.09390(13) 0.7840(2) 0.0798(8) Uani 0.4 1 d . U . . .
Ag1A Ag 0.55505(10) 0.11377(12) 0.82396(17) 0.0697(7) Uani 0.4 1 d . U . A .
Ag1B Ag 0.5222(2) 0.1180(2) 0.8124(3) 0.0700(15) Uani 0.2 1 d . . . A .
Ag2 Ag 0.55072(9) 0.13084(14) 0.67092(19) 0.0845(8) Uani 0.5 1 d . U . A .
Ag2A Ag 0.55820(9) 0.15532(10) 0.65993(17) 0.0764(7) Uani 0.5 1 d . U . A .
Ag3 Ag 0.63269(11) 0.17200(13) 0.8106(2) 0.0966(9) Uani 0.5 1 d . U . A .
Ag3A Ag 0.61907(11) 0.16519(14) 0.77257(15) 0.0883(9) Uani 0.5 1 d . U . A .
Ag4 Ag 0.68669(4) 0.15915(6) 0.70508(6) 0.0747(3) Uani 1 1 d . U . . .
Ag5 Ag 0.79041(3) 0.21154(5) 0.74464(5) 0.0618(3) Uani 1 1 d . U . . .
Ag6 Ag 0.81051(3) 0.31418(5) 0.68248(5) 0.0646(3) Uani 1 1 d . U . . .
Ag7 Ag 0.71553(4) 0.31875(5) 0.69026(6) 0.0750(4) Uani 1 1 d . U . . .
Ag8 Ag 0.69959(3) 0.20326(4) 0.45127(5) 0.0566(2) Uani 1 1 d . U . . .
Ag9 Ag 0.69290(4) 0.31532(5) 0.53092(6) 0.0725(3) Uani 1 1 d . U . . .
Ag10 Ag 0.64087(3) 0.28670(4) 0.40249(5) 0.0600(3) Uani 1 1 d . U . . .
Ag11 Ag 0.60992(4) 0.36700(4) 0.56834(5) 0.0615(3) Uani 1 1 d . U . . .
Ag12 Ag 0.64151(5) 0.37584(5) 0.72407(7) 0.0776(4) Uani 1 1 d . . . . .
Ag13 Ag 0.58297(3) 0.26243(4) 0.50255(5) 0.0562(2) Uani 1 1 d . U . . .
Ag14 Ag 0.62944(4) 0.17348(4) 0.55970(5) 0.0633(3) Uani 1 1 d . U . . .
Ag15 Ag 0.51185(3) 0.24100(4) 0.57497(5) 0.0574(2) Uani 1 1 d . U . . .
Ag16 Ag 0.43287(4) 0.20361(5) 0.61919(7) 0.0768(4) Uani 1 1 d . U . . .
Ag17 Ag 0.31141(5) 0.24945(7) 0.68562(9) 0.1059(6) Uani 1 1 d . . . . .
Ag18 Ag 0.42434(3) 0.30942(4) 0.68776(5) 0.0564(2) Uani 1 1 d . . . . .
Ag19 Ag 0.52177(3) 0.33487(3) 0.65507(5) 0.0512(2) Uani 1 1 d . U . . .
Ag20 Ag 0.54103(4) 0.42481(4) 0.72075(6) 0.0688(3) Uani 1 1 d . . . . .
Cr1 Cr 0.38742(6) 0.26796(7) 0.83008(8) 0.0382(4) Uani 1 1 d . . . . .
Cr2 Cr 0.500000 0.22624(9) 0.750000 0.0383(5) Uani 1 2 d S T P A .
Cr3 Cr 0.73342(6) 0.21299(8) 0.59914(9) 0.0432(4) Uani 1 1 d . . . . .
S1 S 0.84737(10) 0.24042(16) 0.70090(15) 0.0599(9) Uani 1 1 d . . . . .
S2 S 0.75331(10) 0.34283(12) 0.60370(16) 0.0521(7) Uani 1 1 d . U . . .
S3 S 0.63571(10) 0.35409(12) 0.46812(15) 0.0493(7) Uani 1 1 d . . . . .
S4 S 0.59619(15) 0.41881(14) 0.6525(2) 0.0736(12) Uani 1 1 d . . . . .
S5 S 0.46325(10) 0.38180(10) 0.67946(15) 0.0474(6) Uani 1 1 d . . . . .
S6 S 0.30765(15) 0.3355(2) 0.7098(2) 0.0811(13) Uani 1 1 d . U . . .
S7 S 0.37781(12) 0.25409(18) 0.6315(2) 0.0721(11) Uani 1 1 d . . . . .
S8 S 0.53635(10) 0.31572(12) 0.54372(14) 0.0500(7) Uani 1 1 d . . . . .
S9 S 0.49062(11) 0.16225(14) 0.59174(19) 0.0606(8) Uani 1 1 d . . . . .
S10 S 0.62242(10) 0.20522(13) 0.45573(14) 0.0503(7) Uani 1 1 d . . . . .
S11 S 0.73361(11) 0.18582(17) 0.79206(19) 0.0672(10) Uani 1 1 d . . . . .
S12 S 0.4927(5) 0.0806(3) 0.7639(15) 0.113(8) Uani 0.5 1 d . . . A .
S13 S 0.62456(10) 0.12641(12) 0.64981(18) 0.0562(8) Uani 1 1 d . . . . .
S14 S 0.6358(3) 0.0898(4) 0.8065(6) 0.088(2) Uani 0.5 1 d D U . A 1
S14A S 0.6258(3) 0.1200(4) 0.8694(5) 0.082(2) Uani 0.5 1 d D U . A 2
F1 F 0.5074(11) 0.5943(8) 0.7023(16) 0.110(4) Uani 0.5 1 d . U . . .
F2 F 0.5374(11) 0.5934(8) 0.7326(16) 0.110(4) Uani 0.5 1 d . U . . .
F3 F 0.5266(10) 0.5916(8) 0.7930(15) 0.111(4) Uani 0.5 1 d . U . . .
F4 F 0.8874(13) 0.4615(8) 0.7705(14) 0.217(19) Uani 0.5 1 d D U . B 1
F4A F 0.9095(16) 0.444(2) 0.7712(16) 0.27(3) Uani 0.5 1 d D U . B 2
F5 F 0.9187(10) 0.3976(13) 0.823(2) 0.22(2) Uani 0.5 1 d D U . B 1
F5A F 0.8779(16) 0.4036(15) 0.8609(10) 0.196(18) Uani 0.5 1 d D U . B 2
F6 F 0.8556(13) 0.4247(15) 0.8479(15) 0.22(2) Uani 0.5 1 d D U . B 1
F6A F 0.8555(14) 0.4575(13) 0.802(3) 0.25(2) Uani 0.5 1 d D U . B 2
O1 O 0.8886(8) 0.3651(13) 0.735(2) 0.306(19) Uani 1 1 d D U . . .
O2 O 0.8227(7) 0.3768(10) 0.7539(14) 0.195(8) Uani 1 1 d D U . . .
O3 O 0.5300(5) 0.5050(4) 0.7299(8) 0.095(3) Uani 1 1 d . U . . .
O4 O 0.7358(3) 0.2412(4) 0.6646(4) 0.054(2) Uani 1 1 d . . . . .
O5 O 0.7257(4) 0.1592(4) 0.6130(6) 0.072(3) Uani 1 1 d . . . . .
O6 O 0.7761(2) 0.2184(4) 0.5687(4) 0.050(2) Uani 1 1 d . . . . .
O7 O 0.6950(3) 0.2333(4) 0.5516(4) 0.058(3) Uani 1 1 d . . . . .
O8 O 0.5411(3) 0.1928(3) 0.7490(5) 0.058(2) Uani 1 1 d . . . . .
O9 O 0.4929(3) 0.2593(3) 0.6878(4) 0.0477(19) Uani 1 1 d . . . . .
O10 O 0.4145(3) 0.2345(3) 0.8801(5) 0.056(2) Uani 1 1 d . . . . .
O11 O 0.3567(3) 0.3004(4) 0.8679(5) 0.059(2) Uani 1 1 d . . . . .
O12 O 0.3613(3) 0.2355(4) 0.7778(5) 0.056(2) Uani 1 1 d . . . . .
O13 O 0.4173(3) 0.3042(3) 0.7957(4) 0.0446(18) Uani 1 1 d . . . . .
C1 C 0.235(2) 0.309(2) 0.610(4) 0.41(5) Uiso 1 1 d D U . . .
H1A H 0.210083 0.290456 0.604770 0.609 Uiso 1 1 calc R . . . .
H1B H 0.239901 0.322707 0.570331 0.609 Uiso 1 1 calc R . . . .
H1C H 0.258372 0.288323 0.624126 0.609 Uiso 1 1 calc R . . . .
C2 C 0.2318(14) 0.3474(18) 0.658(3) 0.243(19) Uiso 1 1 d D U . . .
H2A H 0.209340 0.369331 0.644864 0.292 Uiso 1 1 calc R . . . .
H2B H 0.228019 0.334560 0.699265 0.292 Uiso 1 1 calc R . . . .
C3 C 0.2742(11) 0.3701(17) 0.657(3) 0.242(19) Uiso 1 1 d D U . . .
H3 H 0.283186 0.374084 0.615477 0.290 Uiso 1 1 calc R . . . .
C4 C 0.2669(15) 0.4158(15) 0.692(2) 0.23(2) Uiso 1 1 d D U . . .
H4A H 0.291753 0.434651 0.694922 0.338 Uiso 1 1 calc R . . . .
H4B H 0.244458 0.432960 0.668329 0.338 Uiso 1 1 calc R . . . .
H4C H 0.259722 0.408662 0.732908 0.338 Uiso 1 1 calc R . . . .
C5 C 0.3681(10) 0.4408(13) 0.5605(16) 0.163(16) Uani 1 1 d . . . . .
H5A H 0.339516 0.444335 0.567852 0.245 Uiso 1 1 d R . . . .
H5B H 0.379186 0.471135 0.550522 0.245 Uiso 1 1 d R . . . .
H5C H 0.369866 0.419375 0.525972 0.245 Uiso 1 1 d R . . . .
C6 C 0.3940(7) 0.4214(9) 0.6195(9) 0.095(7) Uani 1 1 d . . . . .
H6A H 0.391706 0.442999 0.654280 0.114 Uiso 1 1 calc R . . . .
H6B H 0.382422 0.391158 0.630418 0.114 Uiso 1 1 calc R . . . .
C7 C 0.4381(5) 0.4148(5) 0.6125(7) 0.063(4) Uani 1 1 d . . . . .
H7 H 0.440115 0.396017 0.574356 0.075 Uiso 1 1 calc R . . . .
C8 C 0.4594(10) 0.4605(8) 0.6055(12) 0.112(9) Uani 1 1 d . . . . .
H8A H 0.488189 0.454953 0.601017 0.168 Uiso 1 1 calc R . . . .
H8B H 0.446384 0.476709 0.568833 0.168 Uiso 1 1 calc R . . . .
H8C H 0.457290 0.479723 0.642184 0.168 Uiso 1 1 calc R . . . .
C9 C 0.3368(12) 0.2411(15) 0.5155(16) 0.174(16) Uani 1 1 d . U . . .
H9A H 0.315407 0.229145 0.538886 0.261 Uiso 1 1 calc R . . . .
H9B H 0.324297 0.254910 0.476759 0.261 Uiso 1 1 calc R . . . .
H9C H 0.354869 0.215603 0.506298 0.261 Uiso 1 1 calc R . . . .
C10 C 0.3609(7) 0.2770(11) 0.5526(11) 0.106(6) Uani 1 1 d . U . . .
H10 H 0.341237 0.302586 0.558580 0.127 Uiso 1 1 calc R . . . .
C11 C 0.3953(7) 0.2995(10) 0.5242(11) 0.106(6) Uani 1 1 d . U . . .
H11A H 0.407752 0.323930 0.552234 0.127 Uiso 1 1 calc R . . . .
H11B H 0.416549 0.275960 0.518929 0.127 Uiso 1 1 calc R . . . .
C12 C 0.3815(18) 0.319(2) 0.466(2) 0.27(3) Uani 1 1 d . U . . .
H12A H 0.404536 0.333752 0.448737 0.400 Uiso 1 1 calc R . . . .
H12B H 0.369555 0.295074 0.438156 0.400 Uiso 1 1 calc R . . . .
H12C H 0.360768 0.342998 0.471428 0.400 Uiso 1 1 calc R . . . .
C13 C 0.4501(10) 0.1585(11) 0.4746(11) 0.124(10) Uani 1 1 d . . . . .
H13A H 0.459070 0.190898 0.472244 0.185 Uiso 1 1 calc R . . . .
H13B H 0.447700 0.144638 0.433296 0.185 Uiso 1 1 calc R . . . .
H13C H 0.423571 0.157518 0.490641 0.185 Uiso 1 1 calc R . . . .
C14 C 0.4807(7) 0.1320(6) 0.5166(9) 0.076(5) Uani 1 1 d . . . . .
H14 H 0.506818 0.133966 0.497558 0.092 Uiso 1 1 calc R . . . .
C15 C 0.4748(9) 0.0836(11) 0.5281(15) 0.121(10) Uani 1 1 d . . . . .
H15A H 0.448135 0.079305 0.543999 0.146 Uiso 1 1 calc R . . . .
H15B H 0.496383 0.072897 0.560340 0.146 Uiso 1 1 calc R . . . .
C16 C 0.4759(17) 0.0554(14) 0.473(2) 0.24(3) Uani 1 1 d . . . . .
H16A H 0.471786 0.022714 0.483570 0.354 Uiso 1 1 calc R . . . .
H16B H 0.454268 0.065381 0.441497 0.354 Uiso 1 1 calc R . . . .
H16C H 0.502525 0.058972 0.457842 0.354 Uiso 1 1 calc R . . . .
C17 C 0.4392(12) 0.004(3) 0.761(3) 0.22(3) Uani 0.5 1 d D U . A 1
H17A H 0.425081 0.033145 0.765210 0.337 Uiso 0.5 1 d R . . A 1
H17B H 0.435571 -0.016475 0.796110 0.337 Uiso 0.5 1 d R . . A 1
H17C H 0.427891 -0.011745 0.722560 0.337 Uiso 0.5 1 d R . . A 1
C18 C 0.4840(12) 0.0204(12) 0.762(2) 0.123(14) Uani 0.5 1 d D U . A 1
H18 H 0.494868 0.005277 0.728595 0.148 Uiso 0.5 1 d R . . A 1
C19 C 0.5018(12) -0.0020(12) 0.824(2) 0.123(14) Uani 0.5 1 d D U . A 1
H19A H 0.482778 0.002130 0.854082 0.148 Uiso 0.5 1 d R . . A 1
H19B H 0.527728 0.011060 0.839832 0.148 Uiso 0.5 1 d R . . A 1
C20 C 0.503(2) -0.0532(11) 0.803(3) 0.17(3) Uani 0.5 1 d D U . A 1
H20A H 0.488865 -0.055906 0.760780 0.253 Uiso 0.5 1 calc GR . . A 1
H20B H 0.489672 -0.073016 0.830765 0.253 Uiso 0.5 1 calc GR . . A 1
H20C H 0.531572 -0.062935 0.802675 0.253 Uiso 0.5 1 calc GR . . A 1
C21 C 0.5950(17) 0.0469(13) 0.584(2) 0.21(2) Uani 1 1 d . U . . .
H21A H 0.568379 0.051611 0.598670 0.311 Uiso 1 1 calc R . . . .
H21B H 0.596359 0.064750 0.545893 0.311 Uiso 1 1 calc R . . . .
H21C H 0.598736 0.013777 0.575407 0.311 Uiso 1 1 calc R . . . .
C22 C 0.6307(8) 0.0640(9) 0.6360(18) 0.130(8) Uani 1 1 d D U . . .
H22 H 0.629325 0.046287 0.675105 0.156 Uiso 1 1 calc R . . . .
C23 C 0.6726(8) 0.0564(9) 0.6123(18) 0.134(8) Uani 1 1 d D U . . .
H23A H 0.694824 0.062926 0.645813 0.160 Uiso 1 1 calc R . . . .
H23B H 0.675705 0.077851 0.577613 0.160 Uiso 1 1 calc R . . . .
C24 C 0.675(2) 0.0055(12) 0.591(3) 0.30(3) Uani 1 1 d D U . . .
H24A H 0.701878 0.000358 0.575460 0.447 Uiso 1 1 calc R . . . .
H24B H 0.672514 -0.015430 0.625216 0.447 Uiso 1 1 calc R . . . .
H24C H 0.653451 -0.000550 0.557218 0.447 Uiso 1 1 calc R . . . .
C25 C 0.5895(10) 0.1200(9) 0.4194(14) 0.130(11) Uani 1 1 d . . . . .
H25A H 0.617629 0.108733 0.427827 0.195 Uiso 1 1 calc R . . . .
H25B H 0.576072 0.118118 0.457203 0.195 Uiso 1 1 calc R . . . .
H25C H 0.574575 0.100919 0.387163 0.195 Uiso 1 1 calc R . . . .
C26 C 0.5898(5) 0.1704(6) 0.3978(9) 0.072(5) Uani 1 1 d . . . . .
H26 H 0.603210 0.170871 0.358908 0.086 Uiso 1 1 calc R . . . .
C27 C 0.5486(6) 0.1923(12) 0.3833(11) 0.116(10) Uani 1 1 d . . . . .
H27A H 0.551939 0.224569 0.369131 0.139 Uiso 1 1 calc R . . . .
H27B H 0.534853 0.193447 0.421328 0.139 Uiso 1 1 calc R . . . .
C28 C 0.5214(10) 0.1654(15) 0.3332(16) 0.166(17) Uani 1 1 d . . . . .
H28A H 0.494837 0.180866 0.325166 0.249 Uiso 1 1 calc R . . . .
H28B H 0.534589 0.164690 0.295091 0.249 Uiso 1 1 calc R . . . .
H28C H 0.517504 0.133572 0.347282 0.249 Uiso 1 1 calc R . . . .
C29 C 0.7656(11) 0.0992(10) 0.8213(16) 0.153(13) Uani 1 1 d D U . . .
H29A H 0.747835 0.087383 0.785594 0.229 Uiso 1 1 calc GR . . . .
H29B H 0.770579 0.074654 0.852319 0.229 Uiso 1 1 calc GR . . . .
H29C H 0.791704 0.109188 0.807996 0.229 Uiso 1 1 calc GR . . . .
C30 C 0.7449(7) 0.1410(10) 0.8494(10) 0.127(8) Uani 1 1 d D U . . .
H30 H 0.718489 0.130028 0.862806 0.152 Uiso 1 1 calc R . . . .
C31 C 0.7706(8) 0.1627(11) 0.9059(10) 0.130(8) Uani 1 1 d D U . . .
H31A H 0.797619 0.172527 0.894705 0.156 Uiso 1 1 calc R . . . .
H31B H 0.756568 0.190315 0.920461 0.156 Uiso 1 1 calc R . . . .
C32 C 0.7758(17) 0.126(2) 0.956(2) 0.26(3) Uani 1 1 d . U . . .
H32A H 0.792044 0.138608 0.992659 0.392 Uiso 1 1 calc R . . . .
H32B H 0.748888 0.116588 0.966667 0.392 Uiso 1 1 calc R . . . .
H32C H 0.789764 0.098876 0.941021 0.392 Uiso 1 1 calc R . . . .
C33 C 0.7055(10) 0.4378(13) 0.3622(19) 0.167(17) Uani 1 1 d . . . . .
H33A H 0.725932 0.428382 0.335400 0.250 Uiso 1 1 calc R . . . .
H33B H 0.684543 0.456874 0.338643 0.250 Uiso 1 1 calc R . . . .
H33C H 0.718744 0.455906 0.397019 0.250 Uiso 1 1 calc R . . . .
C34 C 0.6852(7) 0.3937(8) 0.3872(12) 0.098(7) Uani 1 1 d . . . . .
H34A H 0.672319 0.375197 0.351865 0.117 Uiso 1 1 calc R . . . .
H34B H 0.706531 0.374228 0.410261 0.117 Uiso 1 1 calc R . . . .
C35 C 0.6528(7) 0.4062(7) 0.4296(9) 0.079(5) Uani 1 1 d . . . . .
H35 H 0.663659 0.429871 0.460827 0.095 Uiso 1 1 calc R . . . .
C36 C 0.6154(8) 0.4258(9) 0.3877(16) 0.138(13) Uani 1 1 d . . . . .
H36A H 0.593881 0.434201 0.413207 0.206 Uiso 1 1 calc R . . . .
H36B H 0.623630 0.453344 0.365899 0.206 Uiso 1 1 calc R . . . .
H36C H 0.605019 0.402077 0.357604 0.206 Uiso 1 1 calc R . . . .
C37 C 0.4846(18) 0.4241(15) 0.441(2) 0.23(3) Uani 1 1 d . . . . .
H37A H 0.495624 0.455695 0.441059 0.344 Uiso 1 1 calc R . . . .
H37B H 0.480224 0.412368 0.398613 0.344 Uiso 1 1 calc R . . . .
H37C H 0.458536 0.424411 0.458685 0.344 Uiso 1 1 calc R . . . .
C38 C 0.5139(10) 0.3934(10) 0.4787(15) 0.122(9) Uani 1 1 d . U . . .
H38A H 0.518659 0.406321 0.521073 0.146 Uiso 1 1 calc R . . . .
H38B H 0.540294 0.394307 0.461147 0.146 Uiso 1 1 calc R . . . .
C39 C 0.5010(6) 0.3439(7) 0.4829(8) 0.078(5) Uani 1 1 d . U . . .
H39 H 0.472843 0.343095 0.495605 0.094 Uiso 1 1 calc R . . . .
C40 C 0.5008(13) 0.3190(14) 0.4227(11) 0.19(2) Uani 1 1 d . . . . .
H40A H 0.492174 0.286775 0.427518 0.279 Uiso 1 1 calc R . . . .
H40B H 0.481699 0.334461 0.391384 0.279 Uiso 1 1 calc R . . . .
H40C H 0.528278 0.319544 0.409789 0.279 Uiso 1 1 calc R . . . .
C41 C 0.500000 0.5221(9) 0.750000 0.100(4) Uani 1 2 d S TU P . .
C42 C 0.500000 0.5733(11) 0.750000 0.108(4) Uani 1 2 d S TU P . .
C43 C 0.8594(7) 0.3870(7) 0.7531(12) 0.193(8) Uani 1 1 d D U . . .
C44 C 0.8814(7) 0.4192(7) 0.8010(10) 0.194(8) Uani 1 1 d D U . . .
C45 C 0.8803(8) 0.2593(13) 0.8216(12) 0.130(11) Uani 1 1 d . U . . .
H45A H 0.866894 0.289747 0.819306 0.195 Uiso 1 1 calc GR . . . .
H45B H 0.904256 0.260250 0.852691 0.195 Uiso 1 1 calc GR . . . .
H45C H 0.861154 0.235685 0.833125 0.195 Uiso 1 1 calc GR . . . .
C46 C 0.8942(6) 0.2468(12) 0.7566(12) 0.111(5) Uani 1 1 d . U . . .
H46 H 0.909369 0.274329 0.742982 0.134 Uiso 1 1 calc R . . . .
C47 C 0.9194(6) 0.2086(11) 0.7533(13) 0.112(5) Uani 1 1 d D U . . .
H47A H 0.915065 0.195635 0.711015 0.134 Uiso 0.5 1 calc R . . C 1
H47B H 0.911457 0.184403 0.782017 0.134 Uiso 0.5 1 calc R . . C 1
H47C H 0.946137 0.213877 0.777944 0.134 Uiso 0.5 1 calc R . . D 2
H47D H 0.923941 0.202242 0.710028 0.134 Uiso 0.5 1 calc R . . D 2
C48 C 0.9654(10) 0.220(3) 0.770(4) 0.19(3) Uiso 0.5 1 d D U . E 1
H48A H 0.978823 0.219837 0.731805 0.292 Uiso 0.5 1 calc GR . . E 1
H48B H 0.977982 0.196091 0.798031 0.292 Uiso 0.5 1 calc GR . . E 1
H48C H 0.968364 0.250341 0.789323 0.292 Uiso 0.5 1 calc GR . . E 1
C48A C 0.893(3) 0.161(3) 0.784(4) 0.19(4) Uiso 0.5 1 d . U . E 2
H48D H 0.909560 0.132662 0.783360 0.279 Uiso 0.5 1 calc R . . E 2
H48E H 0.888743 0.167875 0.827175 0.279 Uiso 0.5 1 calc R . . E 2
H48F H 0.866671 0.156305 0.759641 0.279 Uiso 0.5 1 calc R . . E 2
C49 C 0.7360(12) 0.4283(9) 0.6410(17) 0.183(10) Uani 1 1 d D U . . .
H49A H 0.727861 0.404860 0.669786 0.275 Uiso 1 1 calc R . . F 2
H49B H 0.753041 0.451880 0.663955 0.275 Uiso 1 1 calc R . . F 2
H49C H 0.711625 0.443078 0.619548 0.275 Uiso 1 1 calc R . . F 2
C50 C 0.7605(13) 0.4049(8) 0.5935(17) 0.182(10) Uani 1 1 d D U . . .
C51 C 0.7825(13) 0.4173(9) 0.5369(18) 0.183(10) Uani 1 1 d D U . . .
H51A H 0.811907 0.415483 0.550143 0.275 Uiso 1 1 d R . . G 1
H51B H 0.775167 0.394783 0.503753 0.275 Uiso 1 1 d R . . G 1
C52 C 0.774(3) 0.4704(10) 0.535(3) 0.22(3) Uani 0.5 1 d D U . H 2
H52A H 0.786619 0.484153 0.500338 0.330 Uiso 0.5 1 calc R . . H 2
H52B H 0.744730 0.475960 0.529298 0.330 Uiso 0.5 1 calc R . . H 2
H52C H 0.786195 0.484545 0.573677 0.330 Uiso 0.5 1 calc R . . H 2
C52A C 0.735(2) 0.4786(9) 0.615(3) 0.21(3) Uani 0.5 1 d D U . I 1
H52D H 0.719789 0.498750 0.640710 0.310 Uiso 0.5 1 calc R . . I 1
H52E H 0.762733 0.490308 0.614944 0.310 Uiso 0.5 1 calc R . . I 1
H52F H 0.721084 0.478601 0.572536 0.310 Uiso 0.5 1 calc R . . I 1
C53 C 0.6305(19) 0.5553(14) 0.695(3) 0.118(17) Uani 0.5 1 d . U . J 2
H53A H 0.632738 0.562108 0.651750 0.176 Uiso 0.5 1 calc GR . . J 2
H53B H 0.653659 0.569271 0.721060 0.176 Uiso 0.5 1 calc GR . . J 2
H53C H 0.604949 0.568152 0.706784 0.176 Uiso 0.5 1 calc GR . . J 2
C53A C 0.616(3) 0.498(3) 0.546(2) 0.23(3) Uani 0.5 1 d D U . K 1
H53D H 0.601665 0.516510 0.511800 0.352 Uiso 0.5 1 calc R . . K 1
H53E H 0.644385 0.509677 0.553729 0.352 Uiso 0.5 1 calc R . . K 1
H53F H 0.616393 0.465566 0.533730 0.352 Uiso 0.5 1 calc R . . K 1
C54 C 0.6310(13) 0.4999(11) 0.706(2) 0.165(10) Uani 1 1 d . U . . .
H54A H 0.606700 0.513202 0.720861 0.248 Uiso 0.5 1 calc GR . . J 1
H54B H 0.650080 0.524801 0.698253 0.248 Uiso 0.5 1 calc GR . . J 1
H54C H 0.644217 0.478222 0.736339 0.248 Uiso 0.5 1 calc GR . . J 1
C55 C 0.6193(14) 0.4756(12) 0.649(2) 0.166(10) Uani 1 1 d D U . . .
H55 H 0.645805 0.469232 0.632782 0.200 Uiso 1 1 calc R . . . .
C56 C 0.5961(13) 0.5035(12) 0.600(2) 0.169(10) Uani 1 1 d . U . . .
H56A H 0.589451 0.484135 0.563152 0.254 Uiso 1 1 calc R . . K 2
H56B H 0.570893 0.514933 0.614323 0.254 Uiso 1 1 calc R . . K 2
H56C H 0.612815 0.529958 0.589507 0.254 Uiso 1 1 calc R . . K 2
C57 C 0.642(3) -0.007(2) 0.827(3) 0.21(3) Uani 0.5 1 d D U . A 1
H57A H 0.630251 -0.038120 0.817325 0.312 Uiso 0.5 1 calc R . . A 1
H57B H 0.639529 0.011668 0.789386 0.312 Uiso 0.5 1 calc R . . A 1
H57C H 0.671215 -0.010926 0.842161 0.312 Uiso 0.5 1 calc R . . A 1
C57A C 0.6919(17) 0.073(3) 0.907(4) 0.20(3) Uani 0.5 1 d D U . A 2
H57D H 0.689223 0.072459 0.951299 0.298 Uiso 0.5 1 d R . . A 2
H57E H 0.700933 0.104499 0.895949 0.298 Uiso 0.5 1 d R . . A 2
H57F H 0.712033 0.050319 0.897289 0.298 Uiso 0.5 1 d R . . A 2
C58 C 0.6197(14) 0.0164(16) 0.877(2) 0.094(3) Uani 0.5 1 d D U . A 1
H58A H 0.590329 0.020687 0.862361 0.113 Uiso 0.5 1 calc R . . A 1
H58B H 0.622247 -0.002072 0.915522 0.113 Uiso 0.5 1 calc R . . A 1
C58A C 0.6358(14) 0.0241(12) 0.914(2) 0.094(3) Uani 0.5 1 d D U . A 2
H58C H 0.607146 0.014665 0.901895 0.113 Uiso 0.5 1 calc R . . A 2
H58D H 0.653725 -0.003568 0.916384 0.113 Uiso 0.5 1 calc R . . A 2
C59 C 0.6399(16) 0.0603(14) 0.886(2) 0.094(3) Uani 0.5 1 d D U . A 1
H59 H 0.668156 0.047872 0.885044 0.113 Uiso 0.5 1 calc R . . A 1
C59A C 0.6501(12) 0.0619(8) 0.8703(17) 0.093(3) Uani 0.5 1 d D U . A 2
H59A H 0.652619 0.049818 0.827961 0.111 Uiso 0.5 1 calc R . . A 2
C60 C 0.652(3) 0.095(2) 0.940(3) 0.17(2) Uani 0.5 1 d D U . A 1
H60A H 0.665854 0.121437 0.925262 0.261 Uiso 0.5 1 calc R . . A 1
H60B H 0.626746 0.105206 0.956925 0.261 Uiso 0.5 1 calc R . . A 1
H60C H 0.669459 0.078990 0.972996 0.261 Uiso 0.5 1 calc R . . A 1
C60A C 0.641(2) 0.052(2) 0.9750(17) 0.18(2) Uani 0.5 1 d D U . A 2
H60D H 0.632720 0.033010 1.008579 0.263 Uiso 0.5 1 calc R . . A 2
H60E H 0.669249 0.061917 0.984569 0.263 Uiso 0.5 1 calc R . . A 2
H60F H 0.623207 0.079941 0.970247 0.263 Uiso 0.5 1 calc R . . 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 Ag1A 1.109(5) . ?
Ag1 Ag1B 1.719(7) . ?
Ag1 Ag2 2.674(6) . ?
Ag1 Ag2A 3.219(5) . ?
Ag1 Ag3 3.196(5) . ?
Ag1 Ag3A 2.771(5) . ?
Ag1 S12 2.372(19) . ?
Ag1 S12 2.07(3) 2_656 ?
Ag1 S14 2.365(12) . ?
Ag1 S14A 2.703(12) . ?
Ag1A Ag1B 1.089(8) . ?
Ag1A Ag2 3.359(6) . ?
Ag1A Ag3 3.101(5) . ?
Ag1A Ag3A 2.906(4) . ?
Ag1A Ag16 2.876(4) 2_656 ?
Ag1A S9 2.868(6) 2_656 ?
Ag1A S12 2.52(3) 2_656 ?
Ag1A S12 2.50(2) . ?
Ag1A S14 2.818(12) . ?
Ag1A S14A 2.433(11) . ?
Ag1B Ag1B 2.939(15) 2_656 ?
Ag1B Ag2 2.500(8) 2_656 ?
Ag1B Ag2 3.347(8) . ?
Ag1B Ag2A 2.985(7) 2_656 ?
Ag1B Ag16 3.158(6) 2_656 ?
Ag1B S9 2.523(8) 2_656 ?
Ag1B S12 1.73(2) . ?
Ag1B S12 2.00(3) 2_656 ?
Ag2 Ag2A 0.793(4) . ?
Ag2 Ag3A 3.133(5) . ?
Ag2 S9 2.633(5) . ?
Ag2 S12 2.575(16) 2_656 ?
Ag2 S13 2.532(5) . ?
Ag2 O8 2.510(10) . ?
Ag2A Ag3A 3.000(5) . ?
Ag2A Ag15 3.346(3) . ?
Ag2A S9 2.540(5) . ?
Ag2A S13 2.374(4) . ?
Ag2A O8 2.345(11) . ?
Ag3 Ag3A 0.917(5) . ?
Ag3 Ag4 3.088(4) . ?
Ag3 Ag16 2.933(4) 2_656 ?
Ag3 Ag17 2.887(4) 2_656 ?
Ag3 S7 2.720(7) 2_656 ?
Ag3 S14 2.369(12) . ?
Ag3 S14A 2.002(10) . ?
Ag3A Ag4 2.814(4) . ?
Ag3A Ag16 3.263(4) 2_656 ?
Ag3A S13 2.924(5) . ?
Ag3A S14 2.337(11) . ?
Ag3A S14A 2.468(10) . ?
Ag3A O12 2.425(11) 2_656 ?
Ag4 S11 2.429(4) . ?
Ag4 S13 2.443(4) . ?
Ag4 O5 2.506(13) . ?
Ag5 Ag6 3.3479(19) . ?
Ag5 S1 2.353(4) . ?
Ag5 S11 2.360(4) . ?
Ag5 O4 2.508(9) . ?
Ag6 Ag7 3.1575(17) . ?
Ag6 Ag8 2.9393(14) 7_656 ?
Ag6 S1 2.456(5) . ?
Ag6 S2 2.538(4) . ?
Ag6 O2 2.38(2) . ?
Ag7 Ag12 3.0999(19) . ?
Ag7 S2 2.476(4) . ?
Ag7 S6 2.438(5) 2_656 ?
Ag7 O4 2.414(11) . ?
Ag8 Ag10 3.1893(17) . ?
Ag8 S2 2.456(3) 7_656 ?
Ag8 S10 2.557(3) . ?
Ag8 O6 2.448(10) 7_656 ?
Ag8 O7 2.372(9) . ?
Ag9 Ag10 3.2176(16) . ?
Ag9 Ag11 3.2974(17) . ?
Ag9 S2 2.526(4) . ?
Ag9 S3 2.466(4) . ?
Ag9 O7 2.403(12) . ?
Ag10 Ag13 3.1374(15) . ?
Ag10 S1 2.457(4) 7_656 ?
Ag10 S3 2.428(3) . ?
Ag10 S10 2.716(4) . ?
Ag11 S3 2.462(3) . ?
Ag11 S4 2.447(4) . ?
Ag11 S8 2.837(4) . ?
Ag11 O11 2.543(11) 2_656 ?
Ag12 S4 2.379(6) . ?
Ag12 S6 2.383(6) 2_656 ?
Ag13 Ag14 3.1645(16) . ?
Ag13 Ag15 3.0365(15) . ?
Ag13 S8 2.416(3) . ?
Ag13 S10 2.398(4) . ?
Ag14 S10 2.430(3) . ?
Ag14 S13 2.407(4) . ?
Ag15 Ag16 3.0728(17) . ?
Ag15 Ag19 3.2132(15) . ?
Ag15 S8 2.423(4) . ?
Ag15 S9 2.413(4) . ?
Ag15 O10 2.520(10) 2_656 ?
Ag16 S7 2.364(5) . ?
Ag16 S9 2.379(4) . ?
Ag17 S6 2.538(6) . ?
Ag17 S7 2.607(5) . ?
Ag17 S11 2.441(5) 2_656 ?
Ag17 O12 2.479(9) . ?
Ag18 S5 2.464(3) . ?
Ag18 S7 2.441(4) . ?
Ag18 O13 2.395(9) . ?
Ag19 Ag20 2.9910(15) . ?
Ag19 S5 2.463(3) . ?
Ag19 S8 2.587(3) . ?
Ag19 O9 2.510(9) . ?
Ag19 O13 2.340(9) 2_656 ?
Ag20 Ag20 3.121(2) 2_656 ?
Ag20 S4 2.483(4) . ?
Ag20 S5 2.896(4) . ?
Ag20 S5 2.521(3) 2_656 ?
Ag20 O3 2.349(12) . ?
Cr1 O10 1.639(10) . ?
Cr1 O11 1.665(10) . ?
Cr1 O12 1.639(10) . ?
Cr1 O13 1.670(8) . ?
Cr2 O8 1.665(9) 2_656 ?
Cr2 O8 1.665(9) . ?
Cr2 O9 1.651(8) 2_656 ?
Cr2 O9 1.651(8) . ?
Cr3 O4 1.636(9) . ?
Cr3 O5 1.602(12) . ?
Cr3 O6 1.631(8) . ?
Cr3 O7 1.650(9) . ?
S1 C46 1.86(2) . ?
S2 C50 1.82(2) . ?
S3 C35 1.838(18) . ?
S4 C55 1.81(3) . ?
S5 C7 1.854(15) . ?
S6 C3 1.79(6) . ?
S7 C10 1.87(3) . ?
S8 C39 1.848(17) . ?
S9 C14 1.850(17) . ?
S10 C26 1.854(16) . ?
S11 C30 1.81(2) . ?
S12 S12 0.82(4) 2_656 ?
S12 C18 2.01(3) 2_656 ?
S12 C18 1.76(3) . ?
S13 C22 1.84(2) . ?
S14 C59 1.93(5) . ?
S14A C59A 1.851(10) . ?
F1 F2 1.12(4) . ?
F1 F3 1.14(4) 2_656 ?
F1 C42 1.25(3) . ?
F2 F3 1.40(4) . ?
F2 C42 1.45(3) . ?
F3 C42 1.32(3) . ?
F4 C44 1.413(9) . ?
F4A C44 1.394(10) . ?
F5 C44 1.410(9) . ?
F5A C44 1.397(10) . ?
F6 C44 1.412(9) . ?
F6A C44 1.396(10) . ?
O1 C43 1.254(10) . ?
O2 C43 1.248(9) . ?
O3 C41 1.229(17) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C1 C2 1.546(10) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C2 C3 1.546(10) . ?
C3 H3 1.0000 . ?
C3 C4 1.543(10) . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C5 H5A 0.9801 . ?
C5 H5B 0.9804 . ?
C5 H5C 0.9800 . ?
C5 C6 1.56(3) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C6 C7 1.49(3) . ?
C7 H7 1.0000 . ?
C7 C8 1.51(3) . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C9 C10 1.48(4) . ?
C10 H10 1.0000 . ?
C10 C11 1.50(4) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C11 C12 1.42(5) . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C13 C14 1.49(3) . ?
C14 H14 1.0000 . ?
C14 C15 1.43(4) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C15 C16 1.45(4) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 H17A 0.9795 . ?
C17 H17B 0.9802 . ?
C17 H17C 0.9801 . ?
C17 C18 1.548(10) . ?
C18 C18 1.24(9) 2_656 ?
C18 H18 0.9597 . ?
C18 H18 0.83(6) 2_656 ?
C18 C19 1.549(10) . ?
C19 H19A 0.9598 . ?
C19 H19B 0.9603 . ?
C19 C20 1.548(10) . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C21 C22 1.62(5) . ?
C22 H22 1.0000 . ?
C22 C23 1.545(10) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C23 C24 1.546(10) . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C25 C26 1.53(3) . ?
C26 H26 1.0000 . ?
C26 C27 1.50(3) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C27 C28 1.54(3) . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C29 C30 1.544(10) . ?
C30 H30 1.0000 . ?
C30 C31 1.545(10) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C31 C32 1.52(4) . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C33 C34 1.56(3) . ?
C34 H34A 0.9900 . ?
C34 H34B 0.9900 . ?
C34 C35 1.53(3) . ?
C35 H35 1.0000 . ?
C35 C36 1.55(3) . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C37 C38 1.48(5) . ?
C38 H38A 0.9900 . ?
C38 H38B 0.9900 . ?
C38 C39 1.49(3) . ?
C39 H39 1.0000 . ?
C39 C40 1.49(3) . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C41 C42 1.47(4) . ?
C43 C44 1.517(14) . ?
C45 H45A 0.9800 . ?
C45 H45B 0.9800 . ?
C45 H45C 0.9800 . ?
C45 C46 1.58(4) . ?
C46 H46 1.0000 . ?
C46 C47 1.39(4) . ?
C47 H47A 0.9900 . ?
C47 H47B 0.9900 . ?
C47 H47C 0.9900 . ?
C47 H47D 0.9900 . ?
C47 C48 1.550(10) . ?
C47 C48A 1.80(9) . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?
C48A H48D 0.9800 . ?
C48A H48E 0.9800 . ?
C48A H48F 0.9800 . ?
C49 H49A 0.9800 . ?
C49 H49B 0.9800 . ?
C49 H49C 0.9800 . ?
C49 C50 1.537(10) . ?
C49 C52A 1.556(10) . ?
C50 C51 1.544(10) . ?
C51 H51A 0.9802 . ?
C51 H51B 0.9798 . ?
C51 C52 1.552(10) . ?
C52 H52A 0.9800 . ?
C52 H52B 0.9800 . ?
C52 H52C 0.9800 . ?
C52A H52D 0.9800 . ?
C52A H52E 0.9800 . ?
C52A H52F 0.9800 . ?
C53 H53A 0.9800 . ?
C53 H53B 0.9800 . ?
C53 H53C 0.9800 . ?
C53 C54 1.61(5) . ?
C53A H53D 0.9800 . ?
C53A H53E 0.9800 . ?
C53A H53F 0.9800 . ?
C53A C56 1.43(7) . ?
C54 H54A 0.9800 . ?
C54 H54B 0.9800 . ?
C54 H54C 0.9800 . ?
C54 C55 1.43(5) . ?
C55 H55 1.0000 . ?
C55 C56 1.48(5) . ?
C56 H56A 0.9800 . ?
C56 H56B 0.9800 . ?
C56 H56C 0.9800 . ?
C57 H57A 0.9800 . ?
C57 H57B 0.9800 . ?
C57 H57C 0.9800 . ?
C57 C58 1.551(10) . ?
C57A H57D 0.9802 . ?
C57A H57E 0.9805 . ?
C57A H57F 0.9803 . ?
C57A C59A 1.549(10) . ?
C58 H58A 0.9900 . ?
C58 H58B 0.9900 . ?
C58 C59 1.43(6) . ?
C58A H58C 0.9900 . ?
C58A H58D 0.9900 . ?
C58A C59A 1.553(10) . ?
C58A C60A 1.549(10) . ?
C59 H59 1.0000 . ?
C59 C60 1.551(10) . ?
C59A H59A 1.0000 . ?
C60 H60A 0.9800 . ?
C60 H60B 0.9800 . ?
C60 H60C 0.9800 . ?
C60A H60D 0.9800 . ?
C60A H60E 0.9800 . ?
C60A H60F 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Ag1A Ag1 Ag1B 38.1(3) . . ?
Ag1A Ag1 Ag2 119.2(3) . . ?
Ag1A Ag1 Ag2A 112.4(3) . . ?
Ag1A Ag1 Ag3 75.0(3) . . ?
Ag1A Ag1 Ag3A 85.7(3) . . ?
Ag1A Ag1 S12 100.8(7) . 2_656 ?
Ag1A Ag1 S12 83.3(6) . . ?
Ag1A Ag1 S14 102.3(4) . . ?
Ag1A Ag1 S14A 64.1(3) . . ?
Ag1B Ag1 Ag2 96.8(3) . . ?
Ag1B Ag1 Ag2A 96.2(3) . . ?
Ag1B Ag1 Ag3 103.3(3) . . ?
Ag1B Ag1 Ag3A 107.1(3) . . ?
Ag1B Ag1 S12 62.8(6) . 2_656 ?
Ag1B Ag1 S12 46.8(5) . . ?
Ag1B Ag1 S14 140.3(5) . . ?
Ag1B Ag1 S14A 102.2(4) . . ?
Ag2 Ag1 Ag2A 11.27(8) . . ?
Ag2 Ag1 Ag3 85.67(15) . . ?
Ag2 Ag1 Ag3A 70.23(14) . . ?
Ag2 Ag1 S14A 123.7(3) . . ?
Ag3 Ag1 Ag2A 74.81(13) . . ?
Ag3A Ag1 Ag2A 59.57(12) . . ?
Ag3A Ag1 Ag3 15.68(9) . . ?
S12 Ag1 Ag2 80.8(7) . . ?
S12 Ag1 Ag2 64.3(6) 2_656 . ?
S12 Ag1 Ag2A 88.4(7) . . ?
S12 Ag1 Ag2A 73.4(6) 2_656 . ?
S12 Ag1 Ag3 143.3(4) 2_656 . ?
S12 Ag1 Ag3 144.5(3) . . ?
S12 Ag1 Ag3A 138.5(4) . . ?
S12 Ag1 Ag3A 130.9(5) 2_656 . ?
S12 Ag1 S12 19.7(14) 2_656 . ?
S12 Ag1 S14 156.9(7) 2_656 . ?
S12 Ag1 S14A 145.6(7) . . ?
S12 Ag1 S14A 164.7(7) 2_656 . ?
S14 Ag1 Ag2 105.3(3) . . ?
S14 Ag1 Ag2A 99.3(3) . . ?
S14 Ag1 Ag3 47.6(3) . . ?
S14 Ag1 Ag3A 53.4(3) . . ?
S14 Ag1 S12 167.8(4) . . ?
S14A Ag1 Ag2A 113.2(2) . . ?
S14A Ag1 Ag3 38.5(2) . . ?
S14A Ag1 Ag3A 53.6(2) . . ?
Ag1 Ag1A Ag2 44.0(3) . . ?
Ag1 Ag1A Ag3 84.8(3) . . ?
Ag1 Ag1A Ag3A 72.0(3) . . ?
Ag1 Ag1A Ag16 140.0(3) . 2_656 ?
Ag1 Ag1A S9 163.7(3) . 2_656 ?
Ag1 Ag1A S12 53.6(4) . 2_656 ?
Ag1 Ag1A S12 70.6(5) . . ?
Ag1 Ag1A S14 55.1(4) . . ?
Ag1 Ag1A S14A 91.7(4) . . ?
Ag1B Ag1A Ag1 102.9(5) . . ?
Ag1B Ag1A Ag2 80.0(4) . . ?
Ag1B Ag1A Ag3 136.6(4) . . ?
Ag1B Ag1A Ag3A 126.9(4) . . ?
Ag1B Ag1A Ag16 94.8(4) . 2_656 ?
Ag1B Ag1A S9 60.8(4) . 2_656 ?
Ag1B Ag1A S12 35.5(4) . . ?
Ag1B Ag1A S12 49.6(5) . 2_656 ?
Ag1B Ag1A S14 157.7(5) . . ?
Ag1B Ag1A S14A 165.0(5) . . ?
Ag3 Ag1A Ag2 76.63(13) . . ?
Ag3A Ag1A Ag2 59.50(11) . . ?
Ag3A Ag1A Ag3 17.16(9) . . ?
Ag16 Ag1A Ag2 106.53(12) 2_656 . ?
Ag16 Ag1A Ag3 58.64(10) 2_656 . ?
Ag16 Ag1A Ag3A 68.73(11) 2_656 . ?
S9 Ag1A Ag2 126.85(15) 2_656 . ?
S9 Ag1A Ag3 107.28(16) 2_656 . ?
S9 Ag1A Ag3A 117.21(16) 2_656 . ?
S9 Ag1A Ag16 48.95(10) 2_656 2_656 ?
S12 Ag1A Ag2 66.2(6) . . ?
S12 Ag1A Ag2 49.5(4) 2_656 . ?
S12 Ag1A Ag3 125.7(4) 2_656 . ?
S12 Ag1A Ag3 142.8(6) . . ?
S12 Ag1A Ag3A 125.7(6) . . ?
S12 Ag1A Ag3A 108.5(4) 2_656 . ?
S12 Ag1A Ag16 135.4(3) 2_656 2_656 ?
S12 Ag1A Ag16 129.4(3) . 2_656 ?
S12 Ag1A S9 93.5(4) . 2_656 ?
S12 Ag1A S9 110.1(3) 2_656 2_656 ?
S12 Ag1A S12 18.7(9) . 2_656 ?
S12 Ag1A S14 124.7(5) . . ?
S12 Ag1A S14 108.7(4) 2_656 . ?
S14 Ag1A Ag2 80.5(3) . . ?
S14 Ag1A Ag3 46.9(2) . . ?
S14 Ag1A Ag3A 48.2(2) . . ?
S14 Ag1A Ag16 101.1(3) . 2_656 ?
S14 Ag1A S9 141.2(3) . 2_656 ?
S14A Ag1A Ag2 108.8(3) . . ?
S14A Ag1A Ag3 40.2(2) . . ?
S14A Ag1A Ag3A 54.2(3) . . ?
S14A Ag1A S12 159.1(4) . . ?
Ag1 Ag1B Ag1B 90.0(4) . 2_656 ?
Ag1 Ag1B Ag2 52.5(2) . . ?
Ag1 Ag1B Ag2 159.2(4) . 2_656 ?
Ag1 Ag1B Ag2A 169.8(4) . 2_656 ?
Ag1 Ag1B Ag16 97.7(3) . 2_656 ?
Ag1 Ag1B S9 136.0(4) . 2_656 ?
Ag1 Ag1B S12 67.2(5) . 2_656 ?
Ag1 Ag1B S12 86.9(5) . . ?
Ag1A Ag1B Ag1 39.0(3) . . ?
Ag1A Ag1B Ag1B 126.1(6) . 2_656 ?
Ag1A Ag1B Ag2 158.4(6) . 2_656 ?
Ag1A Ag1B Ag2 81.3(4) . . ?
Ag1A Ag1B Ag2A 151.1(5) . 2_656 ?
Ag1A Ag1B Ag16 65.1(4) . 2_656 ?
Ag1A Ag1B S9 97.0(5) . 2_656 ?
Ag1A Ag1B S12 105.9(6) . 2_656 ?
Ag1A Ag1B S12 123.0(6) . . ?
Ag1B Ag1B Ag2 46.3(2) 2_656 . ?
Ag1B Ag1B Ag2A 80.1(3) 2_656 2_656 ?
Ag1B Ag1B Ag16 126.42(15) 2_656 2_656 ?
Ag2 Ag1B Ag1B 75.5(3) 2_656 2_656 ?
Ag2 Ag1B Ag2 119.6(3) 2_656 . ?
Ag2 Ag1B Ag2A 13.18(11) 2_656 2_656 ?
Ag2 Ag1B Ag16 102.9(2) 2_656 2_656 ?
Ag2 Ag1B S9 63.2(2) 2_656 2_656 ?
Ag2A Ag1B Ag2 119.8(3) 2_656 . ?
Ag2A Ag1B Ag16 90.19(17) 2_656 2_656 ?
Ag16 Ag1B Ag2 100.54(18) 2_656 . ?
S9 Ag1B Ag1B 130.8(3) 2_656 2_656 ?
S9 Ag1B Ag2 143.0(2) 2_656 . ?
S9 Ag1B Ag2A 54.13(17) 2_656 2_656 ?
S9 Ag1B Ag16 47.93(14) 2_656 2_656 ?
S12 Ag1B Ag1B 41.2(8) . 2_656 ?
S12 Ag1B Ag1B 34.9(6) 2_656 2_656 ?
S12 Ag1B Ag2 93.0(5) 2_656 2_656 ?
S12 Ag1B Ag2 50.2(4) 2_656 . ?
S12 Ag1B Ag2 72.7(8) . . ?
S12 Ag1B Ag2 72.4(5) . 2_656 ?
S12 Ag1B Ag2A 84.1(5) . 2_656 ?
S12 Ag1B Ag2A 102.9(5) 2_656 2_656 ?
S12 Ag1B Ag16 150.7(5) 2_656 2_656 ?
S12 Ag1B Ag16 167.2(8) . 2_656 ?
S12 Ag1B S9 156.1(5) 2_656 2_656 ?
S12 Ag1B S9 133.2(6) . 2_656 ?
S12 Ag1B S12 24.0(9) . 2_656 ?
Ag1 Ag2 Ag1A 16.74(10) . . ?
Ag1 Ag2 Ag1B 30.66(15) . . ?
Ag1 Ag2 Ag3A 56.32(11) . . ?
Ag1B Ag2 Ag1 82.3(2) 2_656 . ?
Ag1B Ag2 Ag1A 76.5(2) 2_656 . ?
Ag1B Ag2 Ag1A 18.70(14) . . ?
Ag1B Ag2 Ag1B 58.2(3) 2_656 . ?
Ag1B Ag2 Ag3A 124.7(2) 2_656 . ?
Ag1B Ag2 S9 58.81(19) 2_656 . ?
Ag1B Ag2 S12 39.8(5) 2_656 2_656 ?
Ag1B Ag2 S13 168.4(2) 2_656 . ?
Ag1B Ag2 O8 78.9(3) 2_656 . ?
Ag2A Ag2 Ag1 127.5(4) . . ?
Ag2A Ag2 Ag1A 116.8(4) . . ?
Ag2A Ag2 Ag1B 120.4(4) . . ?
Ag2A Ag2 Ag1B 120.9(4) . 2_656 ?
Ag2A Ag2 Ag3A 73.1(4) . . ?
Ag2A Ag2 S9 74.5(4) . . ?
Ag2A Ag2 S12 151.4(5) . 2_656 ?
Ag2A Ag2 S13 69.6(3) . . ?
Ag2A Ag2 O8 68.9(4) . . ?
Ag3A Ag2 Ag1A 53.04(9) . . ?
Ag3A Ag2 Ag1B 68.78(15) . . ?
S9 Ag2 Ag1 140.49(18) . . ?
S9 Ag2 Ag1A 130.09(15) . . ?
S9 Ag2 Ag1B 111.85(18) . . ?
S9 Ag2 Ag3A 141.34(18) . . ?
S12 Ag2 Ag1 46.4(7) 2_656 . ?
S12 Ag2 Ag1A 48.1(7) 2_656 . ?
S12 Ag2 Ag1B 36.5(6) 2_656 . ?
S12 Ag2 Ag3A 100.8(7) 2_656 . ?
S12 Ag2 S9 97.5(6) 2_656 . ?
S13 Ag2 Ag1 95.11(16) . . ?
S13 Ag2 Ag1A 103.95(15) . . ?
S13 Ag2 Ag1B 122.7(2) . . ?
S13 Ag2 Ag3A 61.06(13) . . ?
S13 Ag2 S9 124.4(2) . . ?
S13 Ag2 S12 132.7(4) . 2_656 ?
O8 Ag2 Ag1 71.2(3) . . ?
O8 Ag2 Ag1A 54.9(3) . . ?
O8 Ag2 Ag1B 51.9(3) . . ?
O8 Ag2 Ag3A 55.4(3) . . ?
O8 Ag2 S9 93.2(3) . . ?
O8 Ag2 S12 84.5(6) . 2_656 ?
O8 Ag2 S13 111.0(3) . . ?
Ag1 Ag2A Ag15 148.11(12) . . ?
Ag1B Ag2A Ag1 66.48(16) 2_656 . ?
Ag1B Ag2A Ag3A 113.25(19) 2_656 . ?
Ag1B Ag2A Ag15 90.99(15) 2_656 . ?
Ag2 Ag2A Ag1 41.3(4) . . ?
Ag2 Ag2A Ag1B 46.0(3) . 2_656 ?
Ag2 Ag2A Ag3A 92.2(4) . . ?
Ag2 Ag2A Ag15 133.2(4) . . ?
Ag2 Ag2A S9 88.0(4) . . ?
Ag2 Ag2A S13 92.2(3) . . ?
Ag2 Ag2A O8 92.7(5) . . ?
Ag3A Ag2A Ag1 52.77(11) . . ?
Ag3A Ag2A Ag15 127.09(13) . . ?
S9 Ag2A Ag1 119.87(15) . . ?
S9 Ag2A Ag1B 53.62(18) . 2_656 ?
S9 Ag2A Ag3A 158.53(17) . . ?
S9 Ag2A Ag15 45.91(11) . . ?
S13 Ag2A Ag1 85.38(15) . . ?
S13 Ag2A Ag1B 137.88(19) . 2_656 ?
S13 Ag2A Ag3A 64.69(14) . . ?
S13 Ag2A Ag15 125.02(15) . . ?
S13 Ag2A S9 136.8(2) . . ?
O8 Ag2A Ag1 63.5(3) . . ?
O8 Ag2A Ag1B 72.3(3) . 2_656 ?
O8 Ag2A Ag3A 58.7(3) . . ?
O8 Ag2A Ag15 88.9(2) . . ?
O8 Ag2A S9 99.8(3) . . ?
O8 Ag2A S13 123.3(3) . . ?
Ag1A Ag3 Ag1 20.21(10) . . ?
Ag3A Ag3 Ag1 54.8(3) . . ?
Ag3A Ag3 Ag1A 69.3(3) . . ?
Ag3A Ag3 Ag4 64.3(3) . . ?
Ag3A Ag3 Ag16 103.0(4) . 2_656 ?
Ag3A Ag3 Ag17 115.8(4) . 2_656 ?
Ag3A Ag3 S7 122.0(4) . 2_656 ?
Ag3A Ag3 S14 76.8(5) . . ?
Ag3A Ag3 S14A 109.8(5) . . ?
Ag4 Ag3 Ag1 103.78(15) . . ?
Ag4 Ag3 Ag1A 123.92(16) . . ?
Ag16 Ag3 Ag1 76.31(12) 2_656 . ?
Ag16 Ag3 Ag1A 56.84(10) 2_656 . ?
Ag16 Ag3 Ag4 161.50(18) 2_656 . ?
Ag17 Ag3 Ag1 170.0(2) 2_656 . ?
Ag17 Ag3 Ag1A 160.99(16) 2_656 . ?
Ag17 Ag3 Ag4 72.14(10) 2_656 . ?
Ag17 Ag3 Ag16 104.56(13) 2_656 2_656 ?
S7 Ag3 Ag1 124.72(16) 2_656 . ?
S7 Ag3 Ag1A 105.98(16) 2_656 . ?
S7 Ag3 Ag4 124.39(16) 2_656 . ?
S7 Ag3 Ag16 49.26(11) 2_656 2_656 ?
S7 Ag3 Ag17 55.31(12) 2_656 2_656 ?
S14 Ag3 Ag1 47.5(3) . . ?
S14 Ag3 Ag1A 60.3(3) . . ?
S14 Ag3 Ag4 79.7(3) . . ?
S14 Ag3 Ag16 111.5(3) . 2_656 ?
S14 Ag3 Ag17 137.9(3) . 2_656 ?
S14 Ag3 S7 153.2(4) . 2_656 ?
S14A Ag3 Ag1 57.3(3) . . ?
S14A Ag3 Ag1A 51.7(3) . . ?
S14A Ag3 Ag4 120.3(3) . . ?
Ag1 Ag3A Ag1A 22.37(11) . . ?
Ag1 Ag3A Ag2 53.45(14) . . ?
Ag1 Ag3A Ag2A 67.66(13) . . ?
Ag1 Ag3A Ag4 124.64(18) . . ?
Ag1 Ag3A Ag16 77.41(12) . 2_656 ?
Ag1 Ag3A S13 84.84(16) . . ?
Ag1A Ag3A Ag2 67.47(13) . . ?
Ag1A Ag3A Ag2A 79.64(13) . . ?
Ag1A Ag3A Ag16 55.20(10) . 2_656 ?
Ag1A Ag3A S13 106.41(16) . . ?
Ag2 Ag3A Ag16 102.94(12) . 2_656 ?
Ag2A Ag3A Ag2 14.64(8) . . ?
Ag2A Ag3A Ag16 105.46(12) . 2_656 ?
Ag3 Ag3A Ag1 109.6(3) . . ?
Ag3 Ag3A Ag1A 93.6(3) . . ?
Ag3 Ag3A Ag2 160.7(4) . . ?
Ag3 Ag3A Ag2A 166.3(4) . . ?
Ag3 Ag3A Ag4 98.7(4) . . ?
Ag3 Ag3A Ag16 61.1(3) . 2_656 ?
Ag3 Ag3A S13 146.4(4) . . ?
Ag3 Ag3A S14 80.8(5) . . ?
Ag3 Ag3A S14A 49.7(4) . . ?
Ag3 Ag3A O12 95.9(4) . 2_656 ?
Ag4 Ag3A Ag1A 145.52(18) . . ?
Ag4 Ag3A Ag2 99.16(13) . . ?
Ag4 Ag3A Ag2A 93.54(11) . . ?
Ag4 Ag3A Ag16 155.77(15) . 2_656 ?
Ag4 Ag3A S13 50.35(10) . . ?
S13 Ag3A Ag2 49.27(11) . . ?
S13 Ag3A Ag2A 47.23(10) . . ?
S13 Ag3A Ag16 152.10(15) . 2_656 ?
S14 Ag3A Ag1 54.4(3) . . ?
S14 Ag3A Ag1A 64.0(3) . . ?
S14 Ag3A Ag2 93.2(3) . . ?
S14 Ag3A Ag2A 106.4(3) . . ?
S14 Ag3A Ag4 86.3(3) . . ?
S14 Ag3A Ag16 102.1(3) . 2_656 ?
S14 Ag3A S13 84.1(4) . . ?
S14 Ag3A O12 148.4(4) . 2_656 ?
S14A Ag3A Ag1 61.8(3) . . ?
S14A Ag3A Ag1A 53.1(3) . . ?
S14A Ag3A Ag2 115.2(3) . . ?
S14A Ag3A Ag2A 129.5(3) . . ?
S14A Ag3A Ag4 114.6(3) . . ?
S14A Ag3A S13 124.9(3) . . ?
O12 Ag3A Ag1 150.5(3) 2_656 . ?
O12 Ag3A Ag1A 147.4(3) 2_656 . ?
O12 Ag3A Ag2 98.7(2) 2_656 . ?
O12 Ag3A Ag2A 84.1(2) 2_656 . ?
O12 Ag3A Ag4 63.0(2) 2_656 . ?
O12 Ag3A Ag16 103.5(3) 2_656 2_656 ?
O12 Ag3A S13 81.7(3) 2_656 . ?
O12 Ag3A S14A 145.6(4) 2_656 . ?
Ag3A Ag4 Ag3 17.07(9) . . ?
S11 Ag4 Ag3 75.57(13) . . ?
S11 Ag4 Ag3A 92.52(13) . . ?
S11 Ag4 S13 158.32(14) . . ?
S11 Ag4 O5 106.6(3) . . ?
S13 Ag4 Ag3 83.74(13) . . ?
S13 Ag4 Ag3A 67.17(12) . . ?
S13 Ag4 O5 94.8(3) . . ?
O5 Ag4 Ag3 171.7(3) . . ?
O5 Ag4 Ag3A 158.4(3) . . ?
S1 Ag5 Ag6 47.16(11) . . ?
S1 Ag5 S11 177.06(17) . . ?
S1 Ag5 O4 98.1(3) . . ?
S11 Ag5 Ag6 131.15(12) . . ?
S11 Ag5 O4 82.5(3) . . ?
O4 Ag5 Ag6 65.0(2) . . ?
Ag7 Ag6 Ag5 76.79(4) . . ?
Ag8 Ag6 Ag5 104.22(5) 7_656 . ?
Ag8 Ag6 Ag7 93.47(4) 7_656 . ?
S1 Ag6 Ag5 44.63(9) . . ?
S1 Ag6 Ag7 120.15(10) . . ?
S1 Ag6 Ag8 90.69(9) . 7_656 ?
S1 Ag6 S2 134.96(12) . . ?
S2 Ag6 Ag5 113.23(9) . . ?
S2 Ag6 Ag7 50.11(8) . . ?
S2 Ag6 Ag8 52.68(8) . 7_656 ?
O2 Ag6 Ag5 115.4(8) . . ?
O2 Ag6 Ag7 91.6(5) . . ?
O2 Ag6 Ag8 140.1(8) . 7_656 ?
O2 Ag6 S1 120.2(8) . . ?
O2 Ag6 S2 104.6(8) . . ?
Ag12 Ag7 Ag6 147.92(6) . . ?
S2 Ag7 Ag6 51.84(8) . . ?
S2 Ag7 Ag12 120.76(10) . . ?
S6 Ag7 Ag6 118.09(13) 2_656 . ?
S6 Ag7 Ag12 49.21(15) 2_656 . ?
S6 Ag7 S2 149.58(16) 2_656 . ?
O4 Ag7 Ag6 69.3(2) . . ?
O4 Ag7 Ag12 142.3(2) . . ?
O4 Ag7 S2 84.6(3) . . ?
O4 Ag7 S6 120.9(3) . 2_656 ?
Ag6 Ag8 Ag10 78.62(4) 7_656 . ?
S2 Ag8 Ag6 55.24(8) 7_656 7_656 ?
S2 Ag8 Ag10 129.60(9) 7_656 . ?
S2 Ag8 S10 135.86(11) 7_656 . ?
S10 Ag8 Ag6 92.39(8) . 7_656 ?
S10 Ag8 Ag10 55.10(9) . . ?
O6 Ag8 Ag6 89.0(2) 7_656 7_656 ?
O6 Ag8 Ag10 56.3(2) 7_656 . ?
O6 Ag8 S2 99.9(2) 7_656 7_656 ?
O6 Ag8 S10 109.5(2) 7_656 . ?
O7 Ag8 Ag6 164.7(3) . 7_656 ?
O7 Ag8 Ag10 86.1(3) . . ?
O7 Ag8 S2 139.2(2) . 7_656 ?
O7 Ag8 S10 77.7(2) . . ?
O7 Ag8 O6 83.4(4) . 7_656 ?
Ag10 Ag9 Ag11 87.50(4) . . ?
S2 Ag9 Ag10 158.34(10) . . ?
S2 Ag9 Ag11 108.64(9) . . ?
S3 Ag9 Ag10 48.38(8) . . ?
S3 Ag9 Ag11 47.94(8) . . ?
S3 Ag9 S2 134.74(13) . . ?
O7 Ag9 Ag10 85.0(2) . . ?
O7 Ag9 Ag11 113.8(2) . . ?
O7 Ag9 S2 100.8(2) . . ?
O7 Ag9 S3 123.5(2) . . ?
Ag8 Ag10 Ag9 70.15(4) . . ?
Ag13 Ag10 Ag8 89.71(4) . . ?
Ag13 Ag10 Ag9 76.01(4) . . ?
S1 Ag10 Ag8 85.00(10) 7_656 . ?
S1 Ag10 Ag9 139.00(9) 7_656 . ?
S1 Ag10 Ag13 137.69(10) 7_656 . ?
S1 Ag10 S10 100.61(13) 7_656 . ?
S3 Ag10 Ag8 119.09(9) . . ?
S3 Ag10 Ag9 49.40(8) . . ?
S3 Ag10 Ag13 71.27(8) . . ?
S3 Ag10 S1 145.41(14) . 7_656 ?
S3 Ag10 S10 113.82(11) . . ?
S10 Ag10 Ag8 50.54(8) . . ?
S10 Ag10 Ag9 88.43(8) . . ?
S10 Ag10 Ag13 47.69(7) . . ?
S3 Ag11 Ag9 48.05(8) . . ?
S3 Ag11 S8 97.38(11) . . ?
S3 Ag11 O11 101.5(2) . 2_656 ?
S4 Ag11 Ag9 133.68(14) . . ?
S4 Ag11 S3 150.46(13) . . ?
S4 Ag11 S8 103.37(13) . . ?
S4 Ag11 O11 99.0(3) . 2_656 ?
S8 Ag11 Ag9 115.71(8) . . ?
O11 Ag11 Ag9 58.4(2) 2_656 . ?
O11 Ag11 S8 91.0(2) 2_656 . ?
S4 Ag12 Ag7 124.88(10) . . ?
S4 Ag12 S6 174.23(16) . 2_656 ?
S6 Ag12 Ag7 50.77(11) 2_656 . ?
Ag10 Ag13 Ag14 98.53(4) . . ?
Ag15 Ag13 Ag10 166.99(5) . . ?
Ag15 Ag13 Ag14 89.92(4) . . ?
S8 Ag13 Ag10 125.49(9) . . ?
S8 Ag13 Ag14 131.85(9) . . ?
S8 Ag13 Ag15 51.22(9) . . ?
S10 Ag13 Ag10 56.91(9) . . ?
S10 Ag13 Ag14 49.48(9) . . ?
S10 Ag13 Ag15 124.79(9) . . ?
S10 Ag13 S8 173.39(12) . . ?
S10 Ag14 Ag13 48.61(9) . . ?
S13 Ag14 Ag13 134.59(9) . . ?
S13 Ag14 S10 164.75(13) . . ?
Ag13 Ag15 Ag2A 96.13(6) . . ?
Ag13 Ag15 Ag16 165.22(5) . . ?
Ag13 Ag15 Ag19 94.31(4) . . ?
Ag16 Ag15 Ag2A 85.28(6) . . ?
Ag16 Ag15 Ag19 99.27(4) . . ?
Ag19 Ag15 Ag2A 107.91(7) . . ?
S8 Ag15 Ag2A 131.62(10) . . ?
S8 Ag15 Ag13 51.03(8) . . ?
S8 Ag15 Ag16 136.14(9) . . ?
S8 Ag15 Ag19 52.40(8) . . ?
S8 Ag15 O10 80.6(3) . 2_656 ?
S9 Ag15 Ag2A 49.12(11) . . ?
S9 Ag15 Ag13 121.63(10) . . ?
S9 Ag15 Ag16 49.64(10) . . ?
S9 Ag15 Ag19 136.13(11) . . ?
S9 Ag15 S8 171.37(13) . . ?
S9 Ag15 O10 98.9(3) . 2_656 ?
O10 Ag15 Ag2A 51.1(3) 2_656 . ?
O10 Ag15 Ag13 56.6(2) 2_656 . ?
O10 Ag15 Ag16 131.7(3) 2_656 . ?
O10 Ag15 Ag19 79.5(2) 2_656 . ?
Ag1A Ag16 Ag1B 20.11(14) 2_656 2_656 ?
Ag1A Ag16 Ag3 64.52(10) 2_656 2_656 ?
Ag1A Ag16 Ag3A 56.07(10) 2_656 2_656 ?
Ag1A Ag16 Ag15 111.70(8) 2_656 . ?
Ag1B Ag16 Ag3A 69.57(14) 2_656 2_656 ?
Ag3 Ag16 Ag1B 81.09(15) 2_656 2_656 ?
Ag3 Ag16 Ag3A 15.88(10) 2_656 2_656 ?
Ag3 Ag16 Ag15 166.92(12) 2_656 . ?
Ag15 Ag16 Ag1B 93.04(13) . 2_656 ?
Ag15 Ag16 Ag3A 151.56(8) . 2_656 ?
S7 Ag16 Ag1A 125.04(15) . 2_656 ?
S7 Ag16 Ag1B 138.62(18) . 2_656 ?
S7 Ag16 Ag3 60.68(15) . 2_656 ?
S7 Ag16 Ag3A 69.70(15) . 2_656 ?
S7 Ag16 Ag15 120.62(13) . . ?
S7 Ag16 S9 169.38(18) . . ?
S9 Ag16 Ag1A 65.36(13) . 2_656 ?
S9 Ag16 Ag1B 51.91(16) . 2_656 ?
S9 Ag16 Ag3 129.40(14) . 2_656 ?
S9 Ag16 Ag3A 120.90(14) . 2_656 ?
S9 Ag16 Ag15 50.59(10) . . ?
S6 Ag17 Ag3 142.53(16) . 2_656 ?
S6 Ag17 S7 96.18(16) . . ?
S7 Ag17 Ag3 59.10(15) . 2_656 ?
S11 Ag17 Ag3 79.37(13) 2_656 2_656 ?
S11 Ag17 S6 130.19(17) 2_656 . ?
S11 Ag17 S7 133.64(17) 2_656 . ?
S11 Ag17 O12 94.5(3) 2_656 . ?
O12 Ag17 Ag3 59.3(3) . 2_656 ?
O12 Ag17 S6 91.9(3) . . ?
O12 Ag17 S7 82.1(3) . . ?
S7 Ag18 S5 144.77(15) . . ?
O13 Ag18 S5 103.6(2) . . ?
O13 Ag18 S7 109.0(2) . . ?
Ag20 Ag19 Ag15 172.17(5) . . ?
S5 Ag19 Ag15 123.04(9) . . ?
S5 Ag19 Ag20 63.28(9) . . ?
S5 Ag19 S8 123.64(11) . . ?
S5 Ag19 O9 94.7(2) . . ?
S8 Ag19 Ag15 47.89(8) . . ?
S8 Ag19 Ag20 125.54(9) . . ?
O9 Ag19 Ag15 53.7(2) . . ?
O9 Ag19 Ag20 132.9(2) . . ?
O9 Ag19 S8 101.5(2) . . ?
O13 Ag19 Ag15 87.8(2) 2_656 . ?
O13 Ag19 Ag20 89.0(2) 2_656 . ?
O13 Ag19 S5 139.5(2) 2_656 . ?
O13 Ag19 S8 96.2(2) 2_656 . ?
O13 Ag19 O9 82.9(3) 2_656 . ?
Ag19 Ag20 Ag20 92.83(4) . 2_656 ?
S4 Ag20 Ag19 77.46(10) . . ?
S4 Ag20 Ag20 166.75(15) . 2_656 ?
S4 Ag20 S5 126.87(16) . 2_656 ?
S4 Ag20 S5 117.85(13) . . ?
S5 Ag20 Ag19 87.60(8) 2_656 . ?
S5 Ag20 Ag19 49.42(7) . . ?
S5 Ag20 Ag20 49.37(7) . 2_656 ?
S5 Ag20 Ag20 60.67(8) 2_656 2_656 ?
S5 Ag20 S5 85.57(11) 2_656 . ?
O3 Ag20 Ag19 149.9(5) . . ?
O3 Ag20 Ag20 79.3(3) . 2_656 ?
O3 Ag20 S4 104.5(3) . . ?
O3 Ag20 S5 107.8(4) . . ?
O3 Ag20 S5 112.6(4) . 2_656 ?
O10 Cr1 O11 108.4(5) . . ?
O10 Cr1 O12 109.2(5) . . ?
O10 Cr1 O13 111.2(5) . . ?
O11 Cr1 O13 107.2(5) . . ?
O12 Cr1 O11 111.3(5) . . ?
O12 Cr1 O13 109.5(5) . . ?
O8 Cr2 O8 109.4(8) . 2_656 ?
O9 Cr2 O8 107.8(5) . 2_656 ?
O9 Cr2 O8 111.2(5) . . ?
O9 Cr2 O8 107.8(5) 2_656 . ?
O9 Cr2 O8 111.2(5) 2_656 2_656 ?
O9 Cr2 O9 109.6(7) . 2_656 ?
O4 Cr3 O7 109.2(5) . . ?
O5 Cr3 O4 107.9(6) . . ?
O5 Cr3 O6 109.4(6) . . ?
O5 Cr3 O7 109.5(6) . . ?
O6 Cr3 O4 110.5(5) . . ?
O6 Cr3 O7 110.3(5) . . ?
Ag5 S1 Ag6 88.21(13) . . ?
Ag5 S1 Ag10 118.47(15) . 7_656 ?
Ag6 S1 Ag10 104.59(14) . 7_656 ?
C46 S1 Ag5 114.3(9) . . ?
C46 S1 Ag6 112.3(10) . . ?
C46 S1 Ag10 115.0(9) . 7_656 ?
Ag7 S2 Ag6 78.05(11) . . ?
Ag7 S2 Ag9 87.80(12) . . ?
Ag8 S2 Ag6 72.09(10) 7_656 . ?
Ag8 S2 Ag7 128.46(16) 7_656 . ?
Ag8 S2 Ag9 91.21(11) 7_656 . ?
Ag9 S2 Ag6 142.53(16) . . ?
C50 S2 Ag6 107.8(15) . . ?
C50 S2 Ag7 116.8(8) . . ?
C50 S2 Ag8 111.9(8) . 7_656 ?
C50 S2 Ag9 109.6(15) . . ?
Ag10 S3 Ag9 82.22(11) . . ?
Ag10 S3 Ag11 134.28(15) . . ?
Ag11 S3 Ag9 84.01(11) . . ?
C35 S3 Ag9 111.6(7) . . ?
C35 S3 Ag10 109.7(6) . . ?
C35 S3 Ag11 115.9(6) . . ?
Ag11 S4 Ag20 134.64(18) . . ?
Ag12 S4 Ag11 91.06(16) . . ?
Ag12 S4 Ag20 95.25(16) . . ?
C55 S4 Ag11 114.0(13) . . ?
C55 S4 Ag12 105.1(16) . . ?
C55 S4 Ag20 107.5(13) . . ?
Ag18 S5 Ag20 105.70(12) . 2_656 ?
Ag18 S5 Ag20 142.04(12) . . ?
Ag19 S5 Ag18 88.82(10) . . ?
Ag19 S5 Ag20 67.30(8) . . ?
Ag19 S5 Ag20 125.36(14) . 2_656 ?
Ag20 S5 Ag20 69.96(9) 2_656 . ?
C7 S5 Ag18 107.5(5) . . ?
C7 S5 Ag19 113.6(6) . . ?
C7 S5 Ag20 111.3(5) . 2_656 ?
C7 S5 Ag20 109.0(5) . . ?
Ag7 S6 Ag17 91.18(18) 2_656 . ?
Ag12 S6 Ag7 80.02(17) 2_656 2_656 ?
Ag12 S6 Ag17 123.60(19) 2_656 . ?
C3 S6 Ag7 116.4(14) . 2_656 ?
C3 S6 Ag12 116.9(14) . 2_656 ?
C3 S6 Ag17 116.8(15) . . ?
Ag16 S7 Ag3 70.06(16) . 2_656 ?
Ag16 S7 Ag17 135.7(2) . . ?
Ag16 S7 Ag18 90.68(14) . . ?
Ag17 S7 Ag3 65.60(14) . 2_656 ?
Ag18 S7 Ag3 116.1(2) . 2_656 ?
Ag18 S7 Ag17 108.51(17) . . ?
C10 S7 Ag3 134.0(9) . 2_656 ?
C10 S7 Ag16 105.3(8) . . ?
C10 S7 Ag17 105.0(8) . . ?
C10 S7 Ag18 109.6(9) . . ?
Ag13 S8 Ag11 80.45(10) . . ?
Ag13 S8 Ag15 77.74(11) . . ?
Ag13 S8 Ag19 132.72(14) . . ?
Ag15 S8 Ag11 135.57(13) . . ?
Ag15 S8 Ag19 79.71(10) . . ?
Ag19 S8 Ag11 87.63(10) . . ?
C39 S8 Ag11 111.2(7) . . ?
C39 S8 Ag13 112.8(7) . . ?
C39 S8 Ag15 112.9(7) . . ?
C39 S8 Ag19 114.2(7) . . ?
Ag1B S9 Ag1A 22.15(18) 2_656 2_656 ?
Ag1B S9 Ag2 57.9(2) 2_656 . ?
Ag1B S9 Ag2A 72.2(2) 2_656 . ?
Ag2 S9 Ag1A 79.85(16) . 2_656 ?
Ag2A S9 Ag1A 94.39(16) . 2_656 ?
Ag2A S9 Ag2 17.51(9) . . ?
Ag15 S9 Ag1A 137.47(17) . 2_656 ?
Ag15 S9 Ag1B 132.7(2) . 2_656 ?
Ag15 S9 Ag2 102.26(16) . . ?
Ag15 S9 Ag2A 84.97(13) . . ?
Ag16 S9 Ag1A 65.69(12) . 2_656 ?
Ag16 S9 Ag1B 80.2(2) . 2_656 ?
Ag16 S9 Ag2 124.77(18) . . ?
Ag16 S9 Ag2A 124.43(18) . . ?
Ag16 S9 Ag15 79.76(13) . . ?
C14 S9 Ag1A 106.6(7) . 2_656 ?
C14 S9 Ag1B 117.7(7) . 2_656 ?
C14 S9 Ag2 117.5(7) . . ?
C14 S9 Ag2A 122.3(7) . . ?
C14 S9 Ag15 109.5(7) . . ?
C14 S9 Ag16 113.1(7) . . ?
Ag8 S10 Ag10 74.35(9) . . ?
Ag13 S10 Ag8 128.44(14) . . ?
Ag13 S10 Ag10 75.39(11) . . ?
Ag13 S10 Ag14 81.91(10) . . ?
Ag14 S10 Ag8 92.22(12) . . ?
Ag14 S10 Ag10 136.14(13) . . ?
C26 S10 Ag8 117.6(6) . . ?
C26 S10 Ag10 108.4(6) . . ?
C26 S10 Ag13 111.1(6) . . ?
C26 S10 Ag14 114.7(6) . . ?
Ag4 S11 Ag17 92.61(13) . 2_656 ?
Ag5 S11 Ag4 102.90(17) . . ?
Ag5 S11 Ag17 112.53(19) . 2_656 ?
C30 S11 Ag4 112.1(7) . . ?
C30 S11 Ag5 114.6(8) . . ?
C30 S11 Ag17 118.7(9) . 2_656 ?
Ag1 S12 Ag1 151.8(11) 2_656 . ?
Ag1 S12 Ag1A 146.6(5) 2_656 . ?
Ag1 S12 Ag1A 126.7(8) . 2_656 ?
Ag1 S12 Ag1A 25.6(4) 2_656 2_656 ?
Ag1 S12 Ag1A 26.2(3) . . ?
Ag1 S12 Ag2 69.4(4) 2_656 2_656 ?
Ag1 S12 Ag2 114.1(9) . 2_656 ?
Ag1A S12 Ag1A 131.1(5) . 2_656 ?
Ag1A S12 Ag2 88.4(8) . 2_656 ?
Ag1A S12 Ag2 82.4(5) 2_656 2_656 ?
Ag1B S12 Ag1 50.0(7) 2_656 2_656 ?
Ag1B S12 Ag1 127.2(6) . 2_656 ?
Ag1B S12 Ag1 102.1(7) 2_656 . ?
Ag1B S12 Ag1 46.4(5) . . ?
Ag1B S12 Ag1A 21.4(4) . . ?
Ag1B S12 Ag1A 24.5(4) 2_656 2_656 ?
Ag1B S12 Ag1A 109.8(5) 2_656 . ?
Ag1B S12 Ag1A 119.1(7) . 2_656 ?
Ag1B S12 Ag1B 103.9(7) . 2_656 ?
Ag1B S12 Ag2 93.3(5) 2_656 2_656 ?
Ag1B S12 Ag2 67.7(6) . 2_656 ?
Ag1B S12 C18 135(2) . . ?
Ag1B S12 C18 107(2) 2_656 2_656 ?
Ag1B S12 C18 120.4(16) . 2_656 ?
S12 S12 Ag1 59(3) 2_656 . ?
S12 S12 Ag1 102(5) 2_656 2_656 ?
S12 S12 Ag1A 82(3) 2_656 . ?
S12 S12 Ag1A 79(4) 2_656 2_656 ?
S12 S12 Ag1B 97(3) 2_656 . ?
S12 S12 Ag1B 59(3) 2_656 2_656 ?
S12 S12 Ag2 145.4(10) 2_656 2_656 ?
S12 S12 C18 95(2) 2_656 . ?
S12 S12 C18 60.6(15) 2_656 2_656 ?
C18 S12 Ag1 111.7(17) 2_656 2_656 ?
C18 S12 Ag1 77.8(12) 2_656 . ?
C18 S12 Ag1 92.2(16) . 2_656 ?
C18 S12 Ag1 108.6(15) . . ?
C18 S12 Ag1A 99.2(13) 2_656 . ?
C18 S12 Ag1A 105.9(19) . 2_656 ?
C18 S12 Ag1A 120.7(18) . . ?
C18 S12 Ag1A 109.7(19) 2_656 2_656 ?
C18 S12 Ag1B 120(2) . 2_656 ?
C18 S12 Ag2 117.7(18) . 2_656 ?
C18 S12 Ag2 154.0(17) 2_656 2_656 ?
C18 S12 C18 38(3) . 2_656 ?
Ag2 S13 Ag3A 69.67(14) . . ?
Ag2A S13 Ag2 18.23(9) . . ?
Ag2A S13 Ag3A 68.08(15) . . ?
Ag2A S13 Ag4 123.24(19) . . ?
Ag2A S13 Ag14 91.56(14) . . ?
Ag4 S13 Ag2 131.30(18) . . ?
Ag4 S13 Ag3A 62.48(12) . . ?
Ag14 S13 Ag2 106.01(16) . . ?
Ag14 S13 Ag3A 123.30(16) . . ?
Ag14 S13 Ag4 93.12(13) . . ?
C22 S13 Ag2 101.9(8) . . ?
C22 S13 Ag2A 118.6(8) . . ?
C22 S13 Ag3A 122.9(12) . . ?
C22 S13 Ag4 110.9(11) . . ?
C22 S13 Ag14 113.4(11) . . ?
Ag1 S14 Ag1A 22.62(17) . . ?
Ag1 S14 Ag3 84.9(4) . . ?
Ag3 S14 Ag1A 72.8(3) . . ?
Ag3A S14 Ag1 72.2(3) . . ?
Ag3A S14 Ag1A 67.9(3) . . ?
Ag3A S14 Ag3 22.45(16) . . ?
C59 S14 Ag1 100.0(16) . . ?
C59 S14 Ag1A 87.4(15) . . ?
C59 S14 Ag3 113.9(14) . . ?
C59 S14 Ag3A 133.2(14) . . ?
Ag1A S14A Ag1 24.21(16) . . ?
Ag1A S14A Ag3A 72.7(3) . . ?
Ag3 S14A Ag1 84.2(4) . . ?
Ag3 S14A Ag1A 88.2(4) . . ?
Ag3 S14A Ag3A 20.45(18) . . ?
Ag3A S14A Ag1 64.6(3) . . ?
C59A S14A Ag1 92.7(14) . . ?
C59A S14A Ag1A 109.3(15) . . ?
C59A S14A Ag3 127.0(12) . . ?
C59A S14A Ag3A 118.8(12) . . ?
F2 F1 F3 139(4) . 2_656 ?
F2 F1 C42 75(3) . . ?
F3 F1 C42 67(2) 2_656 . ?
F1 F2 F3 105(3) . . ?
F1 F2 C42 56(2) . . ?
F3 F2 C42 54.9(17) . . ?
F1 F3 F2 116(4) 2_656 . ?
F1 F3 C42 61(2) 2_656 . ?
C42 F3 F2 64(2) . . ?
C43 O2 Ag6 105.1(13) . . ?
C41 O3 Ag20 124.3(14) . . ?
Ag7 O4 Ag5 110.5(3) . . ?
Cr3 O4 Ag5 113.4(5) . . ?
Cr3 O4 Ag7 132.4(5) . . ?
Cr3 O5 Ag4 105.0(6) . . ?
Cr3 O6 Ag8 118.4(5) . 7_656 ?
Ag8 O7 Ag9 100.9(4) . . ?
Cr3 O7 Ag8 108.9(5) . . ?
Cr3 O7 Ag9 117.9(5) . . ?
Ag2A O8 Ag2 18.38(12) . . ?
Cr2 O8 Ag2 125.9(6) . . ?
Cr2 O8 Ag2A 123.4(6) . . ?
Cr2 O9 Ag19 135.3(5) . . ?
Cr1 O10 Ag15 129.9(5) . 2_656 ?
Cr1 O11 Ag11 116.3(5) . 2_656 ?
Ag3A O12 Ag17 87.4(3) 2_656 . ?
Cr1 O12 Ag3A 130.1(5) . 2_656 ?
Cr1 O12 Ag17 135.9(6) . . ?
Ag19 O13 Ag18 104.6(3) 2_656 . ?
Cr1 O13 Ag18 127.5(5) . . ?
Cr1 O13 Ag19 123.3(4) . 2_656 ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
C2 C1 H1A 109.5 . . ?
C2 C1 H1B 109.5 . . ?
C2 C1 H1C 109.5 . . ?
C1 C2 H2A 112.0 . . ?
C1 C2 H2B 112.0 . . ?
H2A C2 H2B 109.6 . . ?
C3 C2 C1 99.1(9) . . ?
C3 C2 H2A 112.0 . . ?
C3 C2 H2B 112.0 . . ?
S6 C3 H3 114.9 . . ?
C2 C3 S6 104(4) . . ?
C2 C3 H3 114.9 . . ?
C4 C3 S6 107(4) . . ?
C4 C3 C2 99.4(9) . . ?
C4 C3 H3 114.9 . . ?
C3 C4 H4A 109.5 . . ?
C3 C4 H4B 109.5 . . ?
C3 C4 H4C 109.5 . . ?
H4A C4 H4B 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
H5A C5 H5B 109.4 . . ?
H5A C5 H5C 109.4 . . ?
H5B C5 H5C 109.5 . . ?
C6 C5 H5A 110.4 . . ?
C6 C5 H5B 108.6 . . ?
C6 C5 H5C 109.4 . . ?
C5 C6 H6A 108.7 . . ?
C5 C6 H6B 108.7 . . ?
H6A C6 H6B 107.6 . . ?
C7 C6 C5 114(2) . . ?
C7 C6 H6A 108.7 . . ?
C7 C6 H6B 108.7 . . ?
S5 C7 H7 108.2 . . ?
C6 C7 S5 109.7(11) . . ?
C6 C7 H7 108.2 . . ?
C6 C7 C8 111.6(19) . . ?
C8 C7 S5 110.9(14) . . ?
C8 C7 H7 108.2 . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C10 C9 H9A 109.5 . . ?
C10 C9 H9B 109.5 . . ?
C10 C9 H9C 109.5 . . ?
S7 C10 H10 105.6 . . ?
C9 C10 S7 110(2) . . ?
C9 C10 H10 105.6 . . ?
C9 C10 C11 117(3) . . ?
C11 C10 S7 111.9(15) . . ?
C11 C10 H10 105.6 . . ?
C10 C11 H11A 109.4 . . ?
C10 C11 H11B 109.4 . . ?
H11A C11 H11B 108.0 . . ?
C12 C11 C10 111(3) . . ?
C12 C11 H11A 109.4 . . ?
C12 C11 H11B 109.4 . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C14 C13 H13A 109.5 . . ?
C14 C13 H13B 109.5 . . ?
C14 C13 H13C 109.5 . . ?
S9 C14 H14 105.6 . . ?
C13 C14 S9 109.9(13) . . ?
C13 C14 H14 105.6 . . ?
C15 C14 S9 108.5(18) . . ?
C15 C14 C13 121(2) . . ?
C15 C14 H14 105.6 . . ?
C14 C15 H15A 109.1 . . ?
C14 C15 H15B 109.1 . . ?
C14 C15 C16 113(3) . . ?
H15A C15 H15B 107.8 . . ?
C16 C15 H15A 109.1 . . ?
C16 C15 H15B 109.1 . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
H17A C17 H17B 109.4 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.4 . . ?
C18 C17 H17A 101.0 . . ?
C18 C17 H17B 111.7 . . ?
C18 C17 H17C 115.4 . . ?
S12 C18 S12 23.9(13) . 2_656 ?
S12 C18 H18 113(4) . 2_656 ?
S12 C18 H18 100(5) 2_656 2_656 ?
S12 C18 H18 112.7 . . ?
S12 C18 H18 89.0 2_656 . ?
C17 C18 S12 131(3) . 2_656 ?
C17 C18 S12 117(4) . . ?
C17 C18 H18 128(3) . 2_656 ?
C17 C18 H18 106.4 . . ?
C17 C18 C19 98.8(8) . . ?
C18 C18 S12 82.1(15) 2_656 . ?
C18 C18 S12 60.1(15) 2_656 2_656 ?
C18 C18 C17 148(6) 2_656 . ?
C18 C18 H18 41.7 2_656 . ?
C18 C18 H18 51(5) 2_656 2_656 ?
C18 C18 C19 97(4) 2_656 . ?
H18 C18 H18 64.2 . 2_656 ?
C19 C18 S12 119(3) . 2_656 ?
C19 C18 S12 110(3) . . ?
C19 C18 H18 110.0 . . ?
C19 C18 H18 49(6) . 2_656 ?
C18 C19 H18 32(3) . 2_656 ?
C18 C19 H19A 109.1 . . ?
C18 C19 H19B 112.1 . . ?
H19A C19 H18 140.7 . 2_656 ?
H19A C19 H19B 109.7 . . ?
H19B C19 H18 95.4 . 2_656 ?
C20 C19 C18 98.7(8) . . ?
C20 C19 H18 82.2(19) . 2_656 ?
C20 C19 H19A 111.6 . . ?
C20 C19 H19B 115.2 . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C22 C21 H21A 109.5 . . ?
C22 C21 H21B 109.5 . . ?
C22 C21 H21C 109.5 . . ?
S13 C22 H22 110.0 . . ?
C21 C22 S13 109(2) . . ?
C21 C22 H22 110.0 . . ?
C23 C22 S13 108.3(18) . . ?
C23 C22 C21 109(3) . . ?
C23 C22 H22 110.0 . . ?
C22 C23 H23A 109.9 . . ?
C22 C23 H23B 109.9 . . ?
C22 C23 C24 109(3) . . ?
H23A C23 H23B 108.3 . . ?
C24 C23 H23A 109.9 . . ?
C24 C23 H23B 109.9 . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C26 C25 H25A 109.5 . . ?
C26 C25 H25B 109.5 . . ?
C26 C25 H25C 109.5 . . ?
S10 C26 H26 107.1 . . ?
C25 C26 S10 109.1(15) . . ?
C25 C26 H26 107.1 . . ?
C27 C26 S10 111.0(15) . . ?
C27 C26 C25 115(2) . . ?
C27 C26 H26 107.1 . . ?
C26 C27 H27A 109.1 . . ?
C26 C27 H27B 109.1 . . ?
C26 C27 C28 112(3) . . ?
H27A C27 H27B 107.9 . . ?
C28 C27 H27A 109.1 . . ?
C28 C27 H27B 109.1 . . ?
C27 C28 H28A 109.5 . . ?
C27 C28 H28B 109.5 . . ?
C27 C28 H28C 109.5 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C30 C29 H29A 109.5 . . ?
C30 C29 H29B 109.5 . . ?
C30 C29 H29C 109.5 . . ?
S11 C30 H30 108.1 . . ?
C29 C30 S11 110.3(16) . . ?
C29 C30 H30 108.1 . . ?
C29 C30 C31 114(3) . . ?
C31 C30 S11 108.2(17) . . ?
C31 C30 H30 108.1 . . ?
C30 C31 H31A 110.3 . . ?
C30 C31 H31B 110.3 . . ?
H31A C31 H31B 108.5 . . ?
C32 C31 C30 107(3) . . ?
C32 C31 H31A 110.3 . . ?
C32 C31 H31B 110.3 . . ?
C31 C32 H32A 109.5 . . ?
C31 C32 H32B 109.5 . . ?
C31 C32 H32C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
H33A C33 H33B 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C34 C33 H33A 109.5 . . ?
C34 C33 H33B 109.5 . . ?
C34 C33 H33C 109.5 . . ?
C33 C34 H34A 109.2 . . ?
C33 C34 H34B 109.2 . . ?
H34A C34 H34B 107.9 . . ?
C35 C34 C33 112(2) . . ?
C35 C34 H34A 109.2 . . ?
C35 C34 H34B 109.2 . . ?
S3 C35 H35 110.5 . . ?
C34 C35 S3 110.8(14) . . ?
C34 C35 H35 110.5 . . ?
C34 C35 C36 107(2) . . ?
C36 C35 S3 107.5(15) . . ?
C36 C35 H35 110.5 . . ?
C35 C36 H36A 109.5 . . ?
C35 C36 H36B 109.5 . . ?
C35 C36 H36C 109.5 . . ?
H36A C36 H36B 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
H37A C37 H37B 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C38 C37 H37A 109.5 . . ?
C38 C37 H37B 109.5 . . ?
C38 C37 H37C 109.5 . . ?
C37 C38 H38A 108.4 . . ?
C37 C38 H38B 108.4 . . ?
C37 C38 C39 115(3) . . ?
H38A C38 H38B 107.5 . . ?
C39 C38 H38A 108.4 . . ?
C39 C38 H38B 108.4 . . ?
S8 C39 H39 108.6 . . ?
C38 C39 S8 107.6(16) . . ?
C38 C39 H39 108.6 . . ?
C38 C39 C40 112(3) . . ?
C40 C39 S8 111.0(17) . . ?
C40 C39 H39 108.6 . . ?
C39 C40 H40A 109.5 . . ?
C39 C40 H40B 109.5 . . ?
C39 C40 H40C 109.5 . . ?
H40A C40 H40B 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
O3 C41 O3 133(3) 2_656 . ?
O3 C41 C42 113.6(13) 2_656 . ?
O3 C41 C42 113.6(13) . . ?
F1 C42 F1 122(4) 2_656 . ?
F1 C42 F2 106(2) 2_656 . ?
F1 C42 F2 48.4(19) 2_656 2_656 ?
F1 C42 F2 48.4(19) . . ?
F1 C42 F2 106(2) . 2_656 ?
F1 C42 F3 52.7(19) . 2_656 ?
F1 C42 F3 103(2) . . ?
F1 C42 F3 52.7(19) 2_656 . ?
F1 C42 F3 103(2) 2_656 2_656 ?
F1 C42 C41 118.9(18) . . ?
F1 C42 C41 118.9(18) 2_656 . ?
F2 C42 F2 133(3) 2_656 . ?
F2 C42 C41 113.5(15) . . ?
F2 C42 C41 113.5(15) 2_656 . ?
F3 C42 F2 60.7(18) 2_656 2_656 ?
F3 C42 F2 100(2) . 2_656 ?
F3 C42 F2 60.7(18) . . ?
F3 C42 F2 100(2) 2_656 . ?
F3 C42 F3 133(4) 2_656 . ?
F3 C42 C41 113.6(18) . . ?
F3 C42 C41 113.6(18) 2_656 . ?
O1 C43 C44 101.7(19) . . ?
O2 C43 O1 131.9(15) . . ?
O2 C43 C44 121.5(18) . . ?
F4 C44 C43 106.5(9) . . ?
F4A C44 F5A 137(3) . . ?
F4A C44 F6A 92(4) . . ?
F4A C44 C43 106.7(10) . . ?
F5 C44 F4 111.9(9) . . ?
F5 C44 F6 112.5(10) . . ?
F5 C44 C43 106.9(9) . . ?
F5A C44 C43 111.2(18) . . ?
F6 C44 F4 111.8(9) . . ?
F6 C44 C43 106.7(9) . . ?
F6A C44 F5A 97(4) . . ?
F6A C44 C43 104.4(17) . . ?
H45A C45 H45B 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
C46 C45 H45A 109.5 . . ?
C46 C45 H45B 109.5 . . ?
C46 C45 H45C 109.5 . . ?
S1 C46 H46 106.9 . . ?
C45 C46 S1 107.7(15) . . ?
C45 C46 H46 106.9 . . ?
C47 C46 S1 110(2) . . ?
C47 C46 C45 118(3) . . ?
C47 C46 H46 106.9 . . ?
C46 C47 H47A 108.9 . . ?
C46 C47 H47B 108.9 . . ?
C46 C47 H47C 110.6 . . ?
C46 C47 H47D 110.6 . . ?
C46 C47 C48 114(5) . . ?
C46 C47 C48A 106(4) . . ?
H47A C47 H47B 107.7 . . ?
H47C C47 H47D 108.7 . . ?
C48 C47 H47A 108.8 . . ?
C48 C47 H47B 108.9 . . ?
C48A C47 H47C 110.6 . . ?
C48A C47 H47D 110.6 . . ?
C47 C48 H48A 109.5 . . ?
C47 C48 H48B 109.5 . . ?
C47 C48 H48C 109.5 . . ?
H48A C48 H48B 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
C47 C48A H48D 109.5 . . ?
C47 C48A H48E 109.5 . . ?
C47 C48A H48F 109.5 . . ?
H48D C48A H48E 109.5 . . ?
H48D C48A H48F 109.5 . . ?
H48E C48A H48F 109.5 . . ?
H49A C49 H49B 109.5 . . ?
H49A C49 H49C 109.5 . . ?
H49B C49 H49C 109.5 . . ?
C50 C49 H49A 109.5 . . ?
C50 C49 H49B 109.5 . . ?
C50 C49 H49C 109.5 . . ?
C50 C49 C52A 98.9(8) . . ?
C49 C50 S2 105.2(17) . . ?
C49 C50 C51 140(2) . . ?
C51 C50 S2 113.8(16) . . ?
C50 C51 H51A 107.0 . . ?
C50 C51 H51B 109.8 . . ?
C50 C51 C52 98.8(8) . . ?
H51A C51 H51B 109.5 . . ?
C51 C52 H52A 109.5 . . ?
C51 C52 H52B 109.5 . . ?
C51 C52 H52C 109.5 . . ?
H52A C52 H52B 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
C49 C52A H52D 109.5 . . ?
C49 C52A H52E 109.5 . . ?
C49 C52A H52F 109.5 . . ?
H52D C52A H52E 109.5 . . ?
H52D C52A H52F 109.5 . . ?
H52E C52A H52F 109.5 . . ?
H53A C53 H53B 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
C54 C53 H53A 109.5 . . ?
C54 C53 H53B 109.5 . . ?
C54 C53 H53C 109.5 . . ?
H53D C53A H53E 109.5 . . ?
H53D C53A H53F 109.5 . . ?
H53E C53A H53F 109.5 . . ?
C56 C53A H53D 109.4 . . ?
C56 C53A H53E 109.4 . . ?
C56 C53A H53F 109.7 . . ?
H54A C54 H54B 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
C55 C54 C53 112(4) . . ?
C55 C54 H54A 109.5 . . ?
C55 C54 H54B 109.5 . . ?
C55 C54 H54C 109.5 . . ?
S4 C55 H55 103.7 . . ?
C54 C55 S4 119(3) . . ?
C54 C55 H55 103.7 . . ?
C54 C55 C56 115(4) . . ?
C56 C55 S4 110(3) . . ?
C56 C55 H55 103.7 . . ?
C53A C56 C55 107(4) . . ?
C55 C56 H56A 109.5 . . ?
C55 C56 H56B 109.5 . . ?
C55 C56 H56C 109.5 . . ?
H56A C56 H56B 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
H57A C57 H57B 109.5 . . ?
H57A C57 H57C 109.5 . . ?
H57B C57 H57C 109.5 . . ?
C58 C57 H57A 109.5 . . ?
C58 C57 H57B 109.5 . . ?
C58 C57 H57C 109.5 . . ?
H57D C57A H57E 109.5 . . ?
H57D C57A H57F 109.4 . . ?
H57E C57A H57F 109.5 . . ?
C59A C57A H57D 109.0 . . ?
C59A C57A H57E 110.3 . . ?
C59A C57A H57F 109.1 . . ?
C57 C58 H58A 111.0 . . ?
C57 C58 H58B 111.0 . . ?
H58A C58 H58B 109.0 . . ?
C59 C58 C57 104(3) . . ?
C59 C58 H58A 111.0 . . ?
C59 C58 H58B 111.0 . . ?
H58C C58A H58D 109.7 . . ?
C59A C58A H58C 112.0 . . ?
C59A C58A H58D 112.0 . . ?
C60A C58A H58C 112.0 . . ?
C60A C58A H58D 112.0 . . ?
C60A C58A C59A 98.6(8) . . ?
S14 C59 H59 95.8 . . ?
C58 C59 S14 106(3) . . ?
C58 C59 H59 95.8 . . ?
C58 C59 C60 138(5) . . ?
C60 C59 S14 113(4) . . ?
C60 C59 H59 95.8 . . ?
S14A C59A H59A 112.7 . . ?
C57A C59A S14A 100(4) . . ?
C57A C59A C58A 98.5(8) . . ?
C57A C59A H59A 112.7 . . ?
C58A C59A S14A 119(2) . . ?
C58A C59A H59A 112.7 . . ?
C59 C60 H60A 109.5 . . ?
C59 C60 H60B 109.5 . . ?
C59 C60 H60C 109.5 . . ?
H60A C60 H60B 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 109.5 . . ?
C58A C60A H60D 109.5 . . ?
C58A C60A H60E 109.5 . . ?
C58A C60A H60F 109.5 . . ?
H60D C60A H60E 109.5 . . ?
H60D C60A H60F 109.5 . . ?
H60E C60A H60F 109.5 . . ?

_olex2_submission_special_instructions 'No special instructions were received'

# start Validation Reply Form
_vrf_PLAT412_2                   
;
PROBLEM: Short Intra XH3 .. XHn     H30    ..  H57E    ..       1.22 Ang.  
RESPONSE: Short H...H contacts are caused by the parent disordered C 
atoms and we could not find more procise positions of  H-atoms.

;
_vrf_PLAT413_2                   
;
PROBLEM: Short Inter XH3 .. XHn     H5B    ..  H53D    ..       1.60 Ang.  
RESPONSE: Short H...H contacts are caused by the parent disordered C
atoms and we could not find  more procise positions of  H-atoms.
;
_vrf_PLAT430_2                   
;
PROBLEM: Short Inter D...A Contact  S12    ..  S12     ..       0.82 Ang.  
RESPONSE: short contacts are caused by the  disordered S12.
;
####################################################################### 
# 
# 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_p64
_database_code_depnum_ccdc_archive 'CCDC 1456412'
_audit_update_record             
;
2017-03-04 deposited with the CCDC.
2017-03-20 downloaded from the CCDC.
;


_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C50 H98 Ag20 Cr5 F12 N4 O30 S10'
_chemical_formula_weight         4201.32

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'
Cr Cr 0.3209 0.6236 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      hexagonal
_space_group_IT_number           172
_space_group_name_H-M_alt        'P 64'
_space_group_name_Hall           'P 64'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'x-y, x, z+2/3'
'-y, x-y, z+1/3'
'-x, -y, z'
'-x+y, -x, z+2/3'
'y, -x+y, z+1/3'

_cell_length_a                   17.6030(3)
_cell_length_b                   17.6030(3)
_cell_length_c                   29.2412(5)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_volume                     7846.9(2)
_cell_formula_units_Z            3
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    9932
_cell_measurement_theta_min      4.833
_cell_measurement_theta_max      54.909

_exptl_crystal_description       block
_exptl_crystal_colour            red
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.05
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.667
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             5982
_exptl_absorpt_coefficient_mu    4.424
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7185
_exptl_absorpt_correction_T_max  0.8091
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            47425
_diffrn_reflns_av_R_equivalents  0.0322
_diffrn_reflns_av_sigmaI/netI    0.0374
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -36
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_theta_min         1.51
_diffrn_reflns_theta_max         26.00
_reflns_number_total             9278
_reflns_number_gt                8561
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0130P)²+10.8740P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.017(19)
_refine_ls_number_reflns         9278
_refine_ls_number_parameters     606
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0316
_refine_ls_R_factor_gt           0.0260
_refine_ls_wR_factor_ref         0.0417
_refine_ls_wR_factor_gt          0.0404
_refine_ls_goodness_of_fit_ref   1.025
_refine_ls_restrained_S_all      1.025
_refine_ls_shift/su_max          0.008
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.31988(3) 0.34934(3) 0.321387(14) 0.01663(9) Uani 1 1 d . . .
Ag2 Ag 0.23285(3) 0.44640(3) 0.292379(15) 0.01777(10) Uani 1 1 d . . .
Ag3 Ag 0.33279(3) 0.57120(3) 0.212504(15) 0.02129(11) Uani 1 1 d . . .
Ag4 Ag 0.51420(3) 0.71516(3) 0.170971(14) 0.01732(10) Uani 1 1 d . . .
Ag5 Ag 0.70230(3) 0.77708(3) 0.186253(15) 0.01713(10) Uani 1 1 d . . .
Ag6 Ag 0.80780(3) 0.71047(3) 0.239798(15) 0.02033(10) Uani 1 1 d . . .
Ag7 Ag 0.57840(3) 0.74865(3) 0.267337(14) 0.01835(10) Uani 1 1 d . . .
Ag8 Ag 0.38316(3) 0.63175(3) 0.315025(15) 0.02073(10) Uani 1 1 d . . .
Ag9 Ag 0.5000 0.5000 0.35276(2) 0.02035(15) Uani 1 2 d S . .
Ag10 Ag 0.5000 0.5000 0.12486(2) 0.02026(15) Uani 1 2 d S . .
Ag11 Ag 0.70888(3) 0.62079(3) 0.152678(15) 0.01807(10) Uani 1 1 d . . .
S1 S 0.35823(9) 0.49568(9) 0.35273(5) 0.0131(3) Uani 1 1 d . . .
S2 S 0.21070(9) 0.42416(9) 0.20472(5) 0.0149(3) Uani 1 1 d . . .
S3 S 0.43326(9) 0.71397(9) 0.24362(5) 0.0144(3) Uani 1 1 d . . .
S4 S 0.60054(9) 0.66153(9) 0.12923(5) 0.0152(3) Uani 1 1 d . . .
S5 S 0.72867(9) 0.77994(9) 0.27228(5) 0.0145(3) Uani 1 1 d . . .
C1 C 0.9269(4) 0.8671(3) 0.1505(2) 0.0216(14) Uani 1 1 d . . .
H1 H 0.9070 0.8547 0.1197 0.026 Uiso 1 1 calc R . .
C2 C 1.0503(4) 0.9270(4) 0.20280(19) 0.0314(16) Uani 1 1 d . . .
H2A H 1.0034 0.9077 0.2256 0.047 Uiso 1 1 calc R . .
H2B H 1.0900 0.9904 0.2058 0.047 Uiso 1 1 calc R . .
H2C H 1.0831 0.8963 0.2078 0.047 Uiso 1 1 calc R . .
C3 C 1.0735(4) 0.9308(5) 0.1196(2) 0.0411(18) Uani 1 1 d . . .
H3A H 1.1042 0.8974 0.1218 0.062 Uiso 1 1 calc R . .
H3B H 1.1163 0.9937 0.1209 0.062 Uiso 1 1 calc R . .
H3C H 1.0414 0.9172 0.0907 0.062 Uiso 1 1 calc R . .
C4 C 0.1121(9) 0.6100(8) 0.4062(3) 0.134(5) Uani 1 1 d . . .
H4A H 0.1453 0.5923 0.4261 0.201 Uiso 1 1 calc R . .
H4B H 0.0499 0.5771 0.4146 0.201 Uiso 1 1 calc R . .
H4C H 0.1341 0.6730 0.4099 0.201 Uiso 1 1 calc R . .
C5 C 0.0846(8) 0.6306(11) 0.3215(4) 0.165(7) Uani 1 1 d . . .
H5A H 0.1334 0.6756 0.3036 0.247 Uiso 1 1 calc R . .
H5B H 0.0529 0.6565 0.3363 0.247 Uiso 1 1 calc R . .
H5C H 0.0446 0.5830 0.3013 0.247 Uiso 1 1 calc R . .
C6 C 0.1731(4) 0.5616(5) 0.3505(3) 0.047(2) Uani 1 1 d . . .
H6 H 0.1953 0.5437 0.3753 0.056 Uiso 1 1 calc R . .
C7 C 0.6529(4) 0.9234(4) 0.1664(2) 0.0253(15) Uani 1 1 d . . .
C8 C 0.6714(5) 1.0186(5) 0.1712(3) 0.0404(19) Uani 1 1 d . . .
C9 C 0.0547(4) 0.2598(4) 0.3135(2) 0.0332(17) Uani 1 1 d . . .
C10 C -0.0271(5) 0.2027(5) 0.3443(2) 0.0381(18) Uani 1 1 d . . .
C11 C 0.6294(4) 0.7115(4) 0.07131(19) 0.0200(13) Uani 1 1 d . . .
H11 H 0.5945 0.7409 0.0650 0.024 Uiso 1 1 calc R . .
C12 C 0.6069(4) 0.6417(4) 0.0360(2) 0.0350(17) Uani 1 1 d . . .
H12A H 0.6405 0.6120 0.0419 0.052 Uiso 1 1 calc R . .
H12B H 0.6215 0.6685 0.0056 0.052 Uiso 1 1 calc R . .
H12C H 0.5440 0.5990 0.0375 0.052 Uiso 1 1 calc R . .
C13 C 0.7255(5) 0.7800(5) 0.0712(3) 0.051(2) Uani 1 1 d . . .
H13A H 0.7379 0.8207 0.0967 0.076 Uiso 1 1 calc R . .
H13B H 0.7402 0.8125 0.0423 0.076 Uiso 1 1 calc R . .
H13C H 0.7607 0.7514 0.0745 0.076 Uiso 1 1 calc R . .
C14 C 0.4056(4) 0.8019(4) 0.2405(2) 0.0225(14) Uani 1 1 d . . .
H14 H 0.4278 0.8333 0.2107 0.027 Uiso 1 1 calc R . .
C15 C 0.3087(5) 0.7609(5) 0.2408(5) 0.110(5) Uani 1 1 d . . .
H15A H 0.2849 0.7300 0.2118 0.164 Uiso 1 1 calc R . .
H15B H 0.2927 0.8064 0.2446 0.164 Uiso 1 1 calc R . .
H15C H 0.2845 0.7191 0.2662 0.164 Uiso 1 1 calc R . .
C16 C 0.4516(6) 0.8662(5) 0.2784(2) 0.055(2) Uani 1 1 d . . .
H16A H 0.4287 0.8374 0.3079 0.082 Uiso 1 1 calc R . .
H16B H 0.4417 0.9159 0.2752 0.082 Uiso 1 1 calc R . .
H16C H 0.5147 0.8872 0.2768 0.082 Uiso 1 1 calc R . .
C17 C 0.2348(4) 0.3940(4) 0.4177(2) 0.0281(16) Uani 1 1 d . . .
H17A H 0.1929 0.3845 0.3932 0.042 Uiso 1 1 calc R . .
H17B H 0.2077 0.3910 0.4474 0.042 Uiso 1 1 calc R . .
H17C H 0.2515 0.3486 0.4161 0.042 Uiso 1 1 calc R . .
C18 C 0.3872(4) 0.4967(4) 0.44543(18) 0.0219(14) Uani 1 1 d . . .
H18A H 0.4019 0.4503 0.4411 0.033 Uiso 1 1 calc R . .
H18B H 0.3663 0.4943 0.4768 0.033 Uiso 1 1 calc R . .
H18C H 0.4395 0.5540 0.4401 0.033 Uiso 1 1 calc R . .
C19 C 0.3160(3) 0.4837(4) 0.41191(18) 0.0164(13) Uani 1 1 d . . .
H19 H 0.2996 0.5298 0.4175 0.020 Uiso 1 1 calc R . .
C20 C 0.1026(4) 0.4074(4) 0.1865(2) 0.0199(13) Uani 1 1 d . . .
H20 H 0.1111 0.4386 0.1567 0.024 Uiso 1 1 calc R . .
C21 C 0.0393(4) 0.3120(4) 0.1786(2) 0.0296(16) Uani 1 1 d . . .
H21A H 0.0614 0.2902 0.1541 0.044 Uiso 1 1 calc R . .
H21B H -0.0179 0.3042 0.1697 0.044 Uiso 1 1 calc R . .
H21C H 0.0329 0.2791 0.2067 0.044 Uiso 1 1 calc R . .
C22 C 0.0689(4) 0.4484(5) 0.2211(2) 0.0362(17) Uani 1 1 d . . .
H22A H 0.0626 0.4209 0.2510 0.054 Uiso 1 1 calc R . .
H22B H 0.0118 0.4392 0.2110 0.054 Uiso 1 1 calc R . .
H22C H 0.1106 0.5115 0.2234 0.054 Uiso 1 1 calc R . .
C23 C 0.8096(4) 0.8899(4) 0.2930(2) 0.0219(14) Uani 1 1 d . . .
H23 H 0.8631 0.9120 0.2734 0.026 Uiso 1 1 calc R . .
C24 C 0.8361(4) 0.8848(4) 0.3416(2) 0.0296(16) Uani 1 1 d . . .
H24A H 0.7844 0.8610 0.3614 0.044 Uiso 1 1 calc R . .
H24B H 0.8796 0.9436 0.3521 0.044 Uiso 1 1 calc R . .
H24C H 0.8615 0.8464 0.3427 0.044 Uiso 1 1 calc R . .
C25 C 0.7742(4) 0.9511(3) 0.2872(2) 0.0267(15) Uani 1 1 d . . .
H25A H 0.7545 0.9483 0.2556 0.040 Uiso 1 1 calc R . .
H25B H 0.8203 1.0111 0.2943 0.040 Uiso 1 1 calc R . .
H25C H 0.7245 0.9338 0.3081 0.040 Uiso 1 1 calc R . .
Cr1 Cr 0.5000 0.5000 0.23962(5) 0.0129(2) Uani 1 2 d S . .
Cr2 Cr 0.41268(6) 0.24163(6) 0.39541(3) 0.0196(2) Uani 1 1 d . . .
Cr3 Cr 0.59002(7) 0.25184(6) 0.41993(3) 0.0224(2) Uani 1 1 d . . .
O1 O 0.4570(3) 0.4117(2) 0.27269(13) 0.0211(9) Uani 1 1 d . . .
O2 O 0.4238(3) 0.5003(3) 0.20703(13) 0.0232(10) Uani 1 1 d . . .
O3 O 0.3843(3) 0.3158(3) 0.38890(13) 0.0272(10) Uani 1 1 d . . .
O4 O 0.3413(3) 0.1597(3) 0.42511(14) 0.0335(11) Uani 1 1 d . . .
O5 O 0.4253(3) 0.2077(3) 0.34623(13) 0.0315(11) Uani 1 1 d . . .
O6 O 0.5145(3) 0.2905(3) 0.42557(13) 0.0245(10) Uani 1 1 d . . .
O7 O 0.5356(3) 0.1468(3) 0.41851(17) 0.0438(13) Uani 1 1 d . . .
O8 O 0.6559(3) 0.2863(3) 0.46357(14) 0.0312(11) Uani 1 1 d . . .
O9 O 0.6457(3) 0.2919(3) 0.37337(14) 0.0389(12) Uani 1 1 d . . .
O10 O 0.0654(3) 0.2194(3) 0.28373(15) 0.0379(12) Uani 1 1 d . . .
O11 O 0.0959(3) 0.3406(3) 0.32528(15) 0.0376(12) Uani 1 1 d . . .
O12 O 0.1947(3) 0.5538(3) 0.31235(19) 0.0512(14) Uani 1 1 d . . .
O13 O 0.5749(3) 0.8689(3) 0.16104(16) 0.0339(11) Uani 1 1 d . . .
O14 O 0.7183(3) 0.9147(3) 0.16991(14) 0.0264(10) Uani 1 1 d . . .
O15 O 0.8706(2) 0.8440(3) 0.18088(14) 0.0248(10) Uani 1 1 d . . .
F1 F 0.6172(4) 1.0242(3) 0.1973(3) 0.164(4) Uani 1 1 d . . .
F2 F 0.6603(5) 1.0475(3) 0.1326(3) 0.139(3) Uani 1 1 d . . .
F3 F 0.7509(3) 1.0768(3) 0.18242(19) 0.0727(16) Uani 1 1 d . . .
F4 F -0.0312(3) 0.2399(3) 0.38232(14) 0.0614(14) Uani 1 1 d . . .
F5 F -0.1003(2) 0.1827(3) 0.31975(15) 0.0484(11) Uani 1 1 d . . .
F6 F -0.0317(3) 0.1257(3) 0.35568(15) 0.0524(11) Uani 1 1 d . . .
N1 N 0.1222(5) 0.5923(5) 0.3601(3) 0.064(2) Uani 1 1 d . . .
N2 N 1.0124(3) 0.9075(3) 0.15740(17) 0.0215(11) Uani 1 1 d . . .


_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 S5 2.4549(14) 4_665 ?
Ag1 S1 2.4885(14) . ?
Ag1 O3 2.490(4) . ?
Ag1 O1 2.531(4) . ?
Ag1 Ag2 2.9330(6) . ?
Ag1 Ag6 3.0798(6) 4_665 ?
Ag1 Ag9 3.0854(4) . ?
Ag2 O12 2.374(5) . ?
Ag2 O11 2.390(4) . ?
Ag2 S2 2.5930(15) . ?
Ag2 S1 2.6122(14) . ?
Ag2 Ag6 2.9198(6) 4_665 ?
Ag2 Ag8 3.0743(6) . ?
Ag2 Ag3 3.0841(6) . ?
Ag3 S2 2.4099(14) . ?
Ag3 S3 2.4139(15) . ?
Ag3 O2 2.480(4) . ?
Ag3 Ag8 3.1566(6) . ?
Ag3 Ag4 3.1626(6) . ?
Ag4 O13 2.379(4) . ?
Ag4 S4 2.4749(14) . ?
Ag4 O8 2.515(4) 2_554 ?
Ag4 S3 2.5521(15) . ?
Ag4 Ag5 2.9568(6) . ?
Ag4 Ag7 2.9831(6) . ?
Ag5 O14 2.344(4) . ?
Ag5 S4 2.5461(14) . ?
Ag5 S5 2.5538(15) . ?
Ag5 O15 2.589(4) . ?
Ag5 Ag11 2.9774(6) . ?
Ag5 Ag6 3.0745(6) . ?
Ag5 Ag7 3.0883(6) . ?
Ag6 O10 2.324(4) 4_665 ?
Ag6 S2 2.4500(14) 4_665 ?
Ag6 S5 2.4579(14) . ?
Ag6 Ag2 2.9198(6) 4_665 ?
Ag6 Ag11 3.0439(6) . ?
Ag6 Ag1 3.0798(6) 4_665 ?
Ag7 S3 2.4128(15) . ?
Ag7 S5 2.4216(14) . ?
Ag7 O5 2.443(4) 4_665 ?
Ag7 O1 2.573(4) 4_665 ?
Ag7 Ag8 3.3043(6) . ?
Ag8 O9 2.379(4) 4_665 ?
Ag8 S3 2.4405(15) . ?
Ag8 S1 2.4686(14) . ?
Ag9 S1 2.4584(13) 4_665 ?
Ag9 S1 2.4584(13) . ?
Ag9 Ag1 3.0854(5) 4_665 ?
Ag10 S4 2.4902(14) . ?
Ag10 S4 2.4902(14) 4_665 ?
Ag10 Ag11 3.2991(5) . ?
Ag10 Ag11 3.2991(5) 4_665 ?
Ag11 S4 2.4473(14) . ?
Ag11 O4 2.459(4) 5_664 ?
Ag11 S2 2.4629(15) 4_665 ?
S1 C19 1.854(5) . ?
S2 C20 1.852(6) . ?
S2 Ag6 2.4500(14) 4_665 ?
S2 Ag11 2.4629(15) 4_665 ?
S3 C14 1.843(5) . ?
S4 C11 1.858(6) . ?
S5 C23 1.841(5) . ?
S5 Ag1 2.4549(14) 4_665 ?
C1 O15 1.239(6) . ?
C1 N2 1.320(7) . ?
C1 H1 0.9500 . ?
C2 N2 1.447(7) . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C3 N2 1.450(8) . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C4 N1 1.415(11) . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C5 N1 1.618(14) . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C6 O12 1.208(9) . ?
C6 N1 1.287(9) . ?
C6 H6 0.9500 . ?
C7 O13 1.231(7) . ?
C7 O14 1.239(7) . ?
C7 C8 1.547(9) . ?
C8 F1 1.263(8) . ?
C8 F2 1.293(9) . ?
C8 F3 1.297(8) . ?
C9 O10 1.198(8) . ?
C9 O11 1.279(8) . ?
C9 C10 1.563(9) . ?
C10 F4 1.312(8) . ?
C10 F6 1.358(8) . ?
C10 F5 1.359(8) . ?
C11 C12 1.497(8) . ?
C11 C13 1.508(9) . ?
C11 H11 1.0000 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 C15 1.483(9) . ?
C14 C16 1.499(9) . ?
C14 H14 1.0000 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 C19 1.519(7) . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 C19 1.516(7) . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 H19 1.0000 . ?
C20 C21 1.499(8) . ?
C20 C22 1.523(8) . ?
C20 H20 1.0000 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 C25 1.500(8) . ?
C23 C24 1.511(8) . ?
C23 H23 1.0000 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
Cr1 O2 1.647(4) 4_665 ?
Cr1 O2 1.647(4) . ?
Cr1 O1 1.658(4) 4_665 ?
Cr1 O1 1.658(4) . ?
Cr2 O4 1.613(4) . ?
Cr2 O5 1.615(4) . ?
Cr2 O3 1.625(4) . ?
Cr2 O6 1.786(4) . ?
Cr3 O7 1.602(4) . ?
Cr3 O9 1.618(4) . ?
Cr3 O8 1.624(4) . ?
Cr3 O6 1.779(4) . ?
O1 Ag7 2.573(4) 4_665 ?
O4 Ag11 2.459(4) 3_655 ?
O5 Ag7 2.443(4) 4_665 ?
O8 Ag4 2.515(4) 6 ?
O9 Ag8 2.379(4) 4_665 ?
O10 Ag6 2.324(4) 4_665 ?

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
S5 Ag1 S1 164.49(5) 4_665 . ?
S5 Ag1 O3 103.45(10) 4_665 . ?
S1 Ag1 O3 91.92(9) . . ?
S5 Ag1 O1 83.54(9) 4_665 . ?
S1 Ag1 O1 92.98(9) . . ?
O3 Ag1 O1 95.76(13) . . ?
S5 Ag1 Ag2 109.25(4) 4_665 . ?
S1 Ag1 Ag2 56.90(3) . . ?
O3 Ag1 Ag2 143.11(9) . . ?
O1 Ag1 Ag2 104.31(9) . . ?
S5 Ag1 Ag6 51.22(3) 4_665 4_665 ?
S1 Ag1 Ag6 114.40(3) . 4_665 ?
O3 Ag1 Ag6 150.93(9) . 4_665 ?
O1 Ag1 Ag6 94.99(9) . 4_665 ?
Ag2 Ag1 Ag6 58.041(14) . 4_665 ?
S5 Ag1 Ag9 134.63(4) 4_665 . ?
S1 Ag1 Ag9 50.98(3) . . ?
O3 Ag1 Ag9 64.79(10) . . ?
O1 Ag1 Ag9 56.45(9) . . ?
Ag2 Ag1 Ag9 101.353(15) . . ?
Ag6 Ag1 Ag9 141.704(19) 4_665 . ?
O12 Ag2 O11 86.85(17) . . ?
O12 Ag2 S2 106.40(13) . . ?
O11 Ag2 S2 105.26(11) . . ?
O12 Ag2 S1 95.62(13) . . ?
O11 Ag2 S1 110.01(11) . . ?
S2 Ag2 S1 139.14(5) . . ?
O12 Ag2 Ag6 148.16(13) . 4_665 ?
O11 Ag2 Ag6 78.47(11) . 4_665 ?
S2 Ag2 Ag6 52.36(3) . 4_665 ?
S1 Ag2 Ag6 115.89(3) . 4_665 ?
O12 Ag2 Ag1 146.19(13) . . ?
O11 Ag2 Ag1 92.66(12) . . ?
S2 Ag2 Ag1 106.31(3) . . ?
S1 Ag2 Ag1 52.95(3) . . ?
Ag6 Ag2 Ag1 63.499(14) 4_665 . ?
O12 Ag2 Ag8 62.48(13) . . ?
O11 Ag2 Ag8 137.53(11) . . ?
S2 Ag2 Ag8 110.97(3) . . ?
S1 Ag2 Ag8 50.66(3) . . ?
Ag6 Ag2 Ag8 142.28(2) 4_665 . ?
Ag1 Ag2 Ag8 97.636(17) . . ?
O12 Ag2 Ag3 84.65(14) . . ?
O11 Ag2 Ag3 148.60(11) . . ?
S2 Ag2 Ag3 49.31(3) . . ?
S1 Ag2 Ag3 100.88(3) . . ?
Ag6 Ag2 Ag3 93.305(17) 4_665 . ?
Ag1 Ag2 Ag3 110.850(18) . . ?
Ag8 Ag2 Ag3 61.670(14) . . ?
S2 Ag3 S3 161.72(5) . . ?
S2 Ag3 O2 84.67(10) . . ?
S3 Ag3 O2 103.10(10) . . ?
S2 Ag3 Ag2 54.67(4) . . ?
S3 Ag3 Ag2 108.43(4) . . ?
O2 Ag3 Ag2 88.42(9) . . ?
S2 Ag3 Ag8 113.67(4) . . ?
S3 Ag3 Ag8 49.81(4) . . ?
O2 Ag3 Ag8 95.05(9) . . ?
Ag2 Ag3 Ag8 59.013(14) . . ?
S2 Ag3 Ag4 145.62(4) . . ?
S3 Ag3 Ag4 52.40(3) . . ?
O2 Ag3 Ag4 74.38(10) . . ?
Ag2 Ag3 Ag4 148.146(19) . . ?
Ag8 Ag3 Ag4 95.365(16) . . ?
O13 Ag4 S4 111.21(11) . . ?
O13 Ag4 O8 101.52(14) . 2_554 ?
S4 Ag4 O8 107.16(10) . 2_554 ?
O13 Ag4 S3 92.42(12) . . ?
S4 Ag4 S3 148.66(5) . . ?
O8 Ag4 S3 86.90(10) 2_554 . ?
O13 Ag4 Ag5 79.40(10) . . ?
S4 Ag4 Ag5 55.04(3) . . ?
O8 Ag4 Ag5 159.82(10) 2_554 . ?
S3 Ag4 Ag5 113.26(4) . . ?
O13 Ag4 Ag7 88.87(11) . . ?
S4 Ag4 Ag7 107.28(4) . . ?
O8 Ag4 Ag7 137.22(10) 2_554 . ?
S3 Ag4 Ag7 50.96(3) . . ?
Ag5 Ag4 Ag7 62.652(14) . . ?
O13 Ag4 Ag3 131.11(11) . . ?
S4 Ag4 Ag3 116.76(4) . . ?
O8 Ag4 Ag3 56.14(10) 2_554 . ?
S3 Ag4 Ag3 48.54(3) . . ?
Ag5 Ag4 Ag3 137.166(19) . . ?
Ag7 Ag4 Ag3 85.790(16) . . ?
O14 Ag5 S4 111.42(11) . . ?
O14 Ag5 S5 104.70(11) . . ?
S4 Ag5 S5 135.16(5) . . ?
O14 Ag5 O15 89.92(14) . . ?
S4 Ag5 O15 120.79(10) . . ?
S5 Ag5 O15 84.00(10) . . ?
O14 Ag5 Ag4 83.34(10) . . ?
S4 Ag5 Ag4 52.81(3) . . ?
S5 Ag5 Ag4 108.37(4) . . ?
O15 Ag5 Ag4 167.06(9) . . ?
O14 Ag5 Ag11 147.96(10) . . ?
S4 Ag5 Ag11 51.89(3) . . ?
S5 Ag5 Ag11 104.62(3) . . ?
O15 Ag5 Ag11 80.56(9) . . ?
Ag4 Ag5 Ag11 99.398(17) . . ?
O14 Ag5 Ag6 135.61(10) . . ?
S4 Ag5 Ag6 110.29(3) . . ?
S5 Ag5 Ag6 50.76(3) . . ?
O15 Ag5 Ag6 55.40(9) . . ?
Ag4 Ag5 Ag6 135.645(19) . . ?
Ag11 Ag5 Ag6 60.367(14) . . ?
O14 Ag5 Ag7 91.97(10) . . ?
S4 Ag5 Ag7 102.44(3) . . ?
S5 Ag5 Ag7 49.73(3) . . ?
O15 Ag5 Ag7 132.47(9) . . ?
Ag4 Ag5 Ag7 59.090(13) . . ?
Ag11 Ag5 Ag7 117.001(18) . . ?
Ag6 Ag5 Ag7 93.414(17) . . ?
O10 Ag6 S2 111.90(12) 4_665 4_665 ?
O10 Ag6 S5 98.91(12) 4_665 . ?
S2 Ag6 S5 143.97(5) 4_665 . ?
O10 Ag6 Ag2 85.83(12) 4_665 4_665 ?
S2 Ag6 Ag2 56.94(4) 4_665 4_665 ?
S5 Ag6 Ag2 109.58(4) . 4_665 ?
O10 Ag6 Ag11 152.45(12) 4_665 . ?
S2 Ag6 Ag11 51.91(4) 4_665 . ?
S5 Ag6 Ag11 105.18(4) . . ?
Ag2 Ag6 Ag11 98.285(17) 4_665 . ?
O10 Ag6 Ag5 132.99(12) 4_665 . ?
S2 Ag6 Ag5 110.01(4) 4_665 . ?
S5 Ag6 Ag5 53.58(3) . . ?
Ag2 Ag6 Ag5 136.029(19) 4_665 . ?
Ag11 Ag6 Ag5 58.235(14) . . ?
O10 Ag6 Ag1 95.52(11) 4_665 4_665 ?
S2 Ag6 Ag1 105.80(4) 4_665 4_665 ?
S5 Ag6 Ag1 51.13(3) . 4_665 ?
Ag2 Ag6 Ag1 58.459(14) 4_665 4_665 ?
Ag11 Ag6 Ag1 109.910(18) . 4_665 ?
Ag5 Ag6 Ag1 92.760(16) . 4_665 ?
S3 Ag7 S5 166.59(5) . . ?
S3 Ag7 O5 99.19(11) . 4_665 ?
S5 Ag7 O5 94.01(11) . 4_665 ?
S3 Ag7 O1 95.46(9) . 4_665 ?
S5 Ag7 O1 83.31(9) . 4_665 ?
O5 Ag7 O1 104.94(13) 4_665 4_665 ?
S3 Ag7 Ag4 55.24(4) . . ?
S5 Ag7 Ag4 111.35(4) . . ?
O5 Ag7 Ag4 152.53(10) 4_665 . ?
O1 Ag7 Ag4 88.90(8) 4_665 . ?
S3 Ag7 Ag5 113.14(4) . . ?
S5 Ag7 Ag5 53.58(3) . . ?
O5 Ag7 Ag5 143.30(11) 4_665 . ?
O1 Ag7 Ag5 89.34(9) 4_665 . ?
Ag4 Ag7 Ag5 58.258(14) . . ?
S3 Ag7 Ag8 47.44(4) . . ?
S5 Ag7 Ag8 142.58(4) . . ?
O5 Ag7 Ag8 67.32(10) 4_665 . ?
O1 Ag7 Ag8 71.66(9) 4_665 . ?
Ag4 Ag7 Ag8 95.870(16) . . ?
Ag5 Ag7 Ag8 148.791(19) . . ?
O9 Ag8 S3 113.23(12) 4_665 . ?
O9 Ag8 S1 104.08(12) 4_665 . ?
S3 Ag8 S1 142.54(5) . . ?
O9 Ag8 Ag2 116.15(12) 4_665 . ?
S3 Ag8 Ag2 108.01(4) . . ?
S1 Ag8 Ag2 54.93(3) . . ?
O9 Ag8 Ag3 140.24(11) 4_665 . ?
S3 Ag8 Ag3 49.07(4) . . ?
S1 Ag8 Ag3 102.30(3) . . ?
Ag2 Ag8 Ag3 59.317(14) . . ?
O9 Ag8 Ag7 113.58(12) 4_665 . ?
S3 Ag8 Ag7 46.74(4) . . ?
S1 Ag8 Ag7 114.69(4) . . ?
Ag2 Ag8 Ag7 130.187(18) . . ?
Ag3 Ag8 Ag7 80.712(15) . . ?
S1 Ag9 S1 179.96(7) 4_665 . ?
S1 Ag9 Ag1 128.13(3) 4_665 . ?
S1 Ag9 Ag1 51.85(3) . . ?
S1 Ag9 Ag1 51.85(3) 4_665 4_665 ?
S1 Ag9 Ag1 128.13(3) . 4_665 ?
Ag1 Ag9 Ag1 145.41(3) . 4_665 ?
S4 Ag10 S4 174.11(7) . 4_665 ?
S4 Ag10 Ag11 47.52(3) . . ?
S4 Ag10 Ag11 130.54(3) 4_665 . ?
S4 Ag10 Ag11 130.54(3) . 4_665 ?
S4 Ag10 Ag11 47.52(3) 4_665 4_665 ?
Ag11 Ag10 Ag11 151.45(3) . 4_665 ?
S4 Ag11 O4 109.72(11) . 5_664 ?
S4 Ag11 S2 157.60(5) . 4_665 ?
O4 Ag11 S2 92.08(11) 5_664 4_665 ?
S4 Ag11 Ag5 54.94(3) . . ?
O4 Ag11 Ag5 112.04(10) 5_664 . ?
S2 Ag11 Ag5 112.78(4) 4_665 . ?
S4 Ag11 Ag6 114.21(4) . . ?
O4 Ag11 Ag6 107.33(11) 5_664 . ?
S2 Ag11 Ag6 51.52(3) 4_665 . ?
Ag5 Ag11 Ag6 61.397(14) . . ?
S4 Ag11 Ag10 48.63(3) . . ?
O4 Ag11 Ag10 117.79(11) 5_664 . ?
S2 Ag11 Ag10 125.43(4) 4_665 . ?
Ag5 Ag11 Ag10 97.535(14) . . ?
Ag6 Ag11 Ag10 134.818(19) . . ?
C19 S1 Ag9 110.30(17) . . ?
C19 S1 Ag8 113.18(19) . . ?
Ag9 S1 Ag8 106.55(5) . . ?
C19 S1 Ag1 109.91(19) . . ?
Ag9 S1 Ag1 77.17(4) . . ?
Ag8 S1 Ag1 131.64(6) . . ?
C19 S1 Ag2 111.62(17) . . ?
Ag9 S1 Ag2 133.36(6) . . ?
Ag8 S1 Ag2 74.41(4) . . ?
Ag1 S1 Ag2 70.15(4) . . ?
C20 S2 Ag3 119.44(19) . . ?
C20 S2 Ag6 109.71(19) . 4_665 ?
Ag3 S2 Ag6 127.97(6) . 4_665 ?
C20 S2 Ag11 118.77(19) . 4_665 ?
Ag3 S2 Ag11 93.22(5) . 4_665 ?
Ag6 S2 Ag11 76.57(4) 4_665 4_665 ?
C20 S2 Ag2 111.90(19) . . ?
Ag3 S2 Ag2 76.02(4) . . ?
Ag6 S2 Ag2 70.69(4) 4_665 . ?
Ag11 S2 Ag2 126.31(6) 4_665 . ?
C14 S3 Ag7 119.5(2) . . ?
C14 S3 Ag3 119.5(2) . . ?
Ag7 S3 Ag3 120.24(6) . . ?
C14 S3 Ag8 111.8(2) . . ?
Ag7 S3 Ag8 85.81(5) . . ?
Ag3 S3 Ag8 81.12(4) . . ?
C14 S3 Ag4 109.5(2) . . ?
Ag7 S3 Ag4 73.80(4) . . ?
Ag3 S3 Ag4 79.06(4) . . ?
Ag8 S3 Ag4 138.74(6) . . ?
C11 S4 Ag11 108.96(19) . . ?
C11 S4 Ag4 110.13(19) . . ?
Ag11 S4 Ag4 133.69(6) . . ?
C11 S4 Ag10 111.31(19) . . ?
Ag11 S4 Ag10 83.85(4) . . ?
Ag4 S4 Ag10 103.86(5) . . ?
C11 S4 Ag5 107.59(19) . . ?
Ag11 S4 Ag5 73.18(4) . . ?
Ag4 S4 Ag5 72.14(4) . . ?
Ag10 S4 Ag5 139.49(6) . . ?
C23 S5 Ag7 116.2(2) . . ?
C23 S5 Ag1 120.6(2) . 4_665 ?
Ag7 S5 Ag1 89.41(5) . 4_665 ?
C23 S5 Ag6 108.5(2) . . ?
Ag7 S5 Ag6 133.64(6) . . ?
Ag1 S5 Ag6 77.64(4) 4_665 . ?
C23 S5 Ag5 112.5(2) . . ?
Ag7 S5 Ag5 76.68(4) . . ?
Ag1 S5 Ag5 125.61(6) 4_665 . ?
Ag6 S5 Ag5 75.65(4) . . ?
O15 C1 N2 125.2(6) . . ?
O15 C1 H1 117.4 . . ?
N2 C1 H1 117.4 . . ?
N2 C2 H2A 109.5 . . ?
N2 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
N2 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
N2 C3 H3A 109.5 . . ?
N2 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
N2 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
N1 C4 H4A 109.5 . . ?
N1 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
N1 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
N1 C5 H5A 109.5 . . ?
N1 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
N1 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
O12 C6 N1 125.1(7) . . ?
O12 C6 H6 117.5 . . ?
N1 C6 H6 117.5 . . ?
O13 C7 O14 131.2(6) . . ?
O13 C7 C8 113.8(6) . . ?
O14 C7 C8 114.9(6) . . ?
F1 C8 F2 103.2(8) . . ?
F1 C8 F3 110.2(7) . . ?
F2 C8 F3 103.1(6) . . ?
F1 C8 C7 112.5(6) . . ?
F2 C8 C7 110.8(6) . . ?
F3 C8 C7 116.0(6) . . ?
O10 C9 O11 133.2(6) . . ?
O10 C9 C10 113.8(6) . . ?
O11 C9 C10 112.9(6) . . ?
F4 C10 F6 107.4(6) . . ?
F4 C10 F5 107.2(6) . . ?
F6 C10 F5 107.2(5) . . ?
F4 C10 C9 115.4(6) . . ?
F6 C10 C9 111.1(6) . . ?
F5 C10 C9 108.2(6) . . ?
C12 C11 C13 112.7(5) . . ?
C12 C11 S4 110.0(4) . . ?
C13 C11 S4 108.3(4) . . ?
C12 C11 H11 108.6 . . ?
C13 C11 H11 108.6 . . ?
S4 C11 H11 108.6 . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C11 C13 H13A 109.5 . . ?
C11 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C11 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C15 C14 C16 114.8(7) . . ?
C15 C14 S3 108.2(4) . . ?
C16 C14 S3 109.1(4) . . ?
C15 C14 H14 108.2 . . ?
C16 C14 H14 108.2 . . ?
S3 C14 H14 108.2 . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C14 C16 H16A 109.5 . . ?
C14 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C14 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C19 C17 H17A 109.5 . . ?
C19 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C19 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C19 C18 H18A 109.5 . . ?
C19 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C19 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C18 C19 C17 111.2(5) . . ?
C18 C19 S1 109.4(4) . . ?
C17 C19 S1 109.7(4) . . ?
C18 C19 H19 108.8 . . ?
C17 C19 H19 108.8 . . ?
S1 C19 H19 108.8 . . ?
C21 C20 C22 112.8(5) . . ?
C21 C20 S2 110.6(4) . . ?
C22 C20 S2 110.3(4) . . ?
C21 C20 H20 107.7 . . ?
C22 C20 H20 107.7 . . ?
S2 C20 H20 107.7 . . ?
C20 C21 H21A 109.5 . . ?
C20 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C20 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C20 C22 H22A 109.5 . . ?
C20 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C20 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C25 C23 C24 113.6(5) . . ?
C25 C23 S5 109.7(4) . . ?
C24 C23 S5 110.3(4) . . ?
C25 C23 H23 107.7 . . ?
C24 C23 H23 107.7 . . ?
S5 C23 H23 107.7 . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C23 C25 H25A 109.5 . . ?
C23 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C23 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
O2 Cr1 O2 109.3(3) 4_665 . ?
O2 Cr1 O1 110.47(19) 4_665 4_665 ?
O2 Cr1 O1 108.98(18) . 4_665 ?
O2 Cr1 O1 108.98(18) 4_665 . ?
O2 Cr1 O1 110.47(19) . . ?
O1 Cr1 O1 108.6(3) 4_665 . ?
O4 Cr2 O5 109.8(2) . . ?
O4 Cr2 O3 111.5(2) . . ?
O5 Cr2 O3 110.3(2) . . ?
O4 Cr2 O6 108.1(2) . . ?
O5 Cr2 O6 109.1(2) . . ?
O3 Cr2 O6 107.9(2) . . ?
O7 Cr3 O9 111.3(3) . . ?
O7 Cr3 O8 110.8(2) . . ?
O9 Cr3 O8 109.6(2) . . ?
O7 Cr3 O6 108.3(2) . . ?
O9 Cr3 O6 108.5(2) . . ?
O8 Cr3 O6 108.4(2) . . ?
Cr1 O1 Ag1 128.64(19) . . ?
Cr1 O1 Ag7 137.7(2) . 4_665 ?
Ag1 O1 Ag7 84.45(11) . 4_665 ?
Cr1 O2 Ag3 134.1(2) . . ?
Cr2 O3 Ag1 130.0(2) . . ?
Cr2 O4 Ag11 124.0(2) . 3_655 ?
Cr2 O5 Ag7 134.0(2) . 4_665 ?
Cr3 O6 Cr2 122.1(2) . . ?
Cr3 O8 Ag4 125.5(2) . 6 ?
Cr3 O9 Ag8 126.6(2) . 4_665 ?
C9 O10 Ag6 118.8(4) . 4_665 ?
C9 O11 Ag2 123.3(4) . . ?
C6 O12 Ag2 123.2(5) . . ?
C7 O13 Ag4 124.2(4) . . ?
C7 O14 Ag5 120.4(4) . . ?
C1 O15 Ag5 137.6(4) . . ?
C6 N1 C4 119.5(9) . . ?
C6 N1 C5 122.6(8) . . ?
C4 N1 C5 116.7(9) . . ?
C1 N2 C2 122.3(5) . . ?
C1 N2 C3 121.3(5) . . ?
C2 N2 C3 116.3(5) . . ?

_diffrn_measured_fraction_theta_max 1.000
_diffrn_reflns_theta_full        26.00
_diffrn_measured_fraction_theta_full 1.000
_refine_diff_density_max         1.107
_refine_diff_density_min         -0.811
_refine_diff_density_rms         0.110


