# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2021

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
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data_20191012_mikami427
_database_code_depnum_ccdc_archive 'CCDC 2056318'
loop_
_audit_author_name
_audit_author_address
'Tsutomu Mizuta'
;Graduate School of Advanced Science and Engineering, Hiroshima University
Japan
;
_audit_update_record             
;
2021-01-15 deposited with the CCDC.	2021-03-15 downloaded from the CCDC.
;
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C1098 H855 Ag78 Br21 Cu12 F18 P48'
_chemical_formula_iupac          ?
_chemical_formula_weight         26731.78
_chemical_absolute_configuration ?

_chemical_melting_point          ?

_space_group_crystal_system      trigonal
_space_group_name_H-M_alt        'R 3'
_space_group_name_Hall           'R 3'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'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+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'

_cell_length_a                   26.418(3)
_cell_length_b                   26.418(3)
_cell_length_c                   47.872(5)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     28934.(7)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    1795
_cell_measurement_theta_min      1.9906
_cell_measurement_theta_max      22.7257
_cell_measurement_temperature    173.(2)

_exptl_crystal_description       block
_exptl_crystal_colour            'clear light purple'
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.270
_exptl_crystal_size_min          0.260
_exptl_crystal_density_diffrn    1.534
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             13074

_exptl_absorpt_coefficient_mu    2.340
_exptl_absorpt_correction_type   Multi-Scan
_exptl_absorpt_process_details   'SADABS V2012/1 (Bruker AXS Inc.)'
_exptl_absorpt_correction_T_min  0.47
_exptl_absorpt_correction_T_max  0.58

_exptl_special_details           
;
;

_diffrn_ambient_temperature      173.(2)

_diffrn_source                   'rotating-anode X-ray tube'
_diffrn_source_type              'Bruker Turbo X-ray Source'

_diffrn_radiation_type           MoKa
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  'multilayered conforcal mirror'

_diffrn_measurement_device_type  'Bruker D8 goniometer'
_diffrn_measurement_method       'omega scans'

_diffrn_detector_area_resol_mean 8.3333

_diffrn_reflns_number            53004
_diffrn_reflns_av_R_equivalents  0.0324
_diffrn_reflns_av_unetI/netI     0.0621
_diffrn_reflns_theta_min         1.83
_diffrn_reflns_theta_max         27.35
_diffrn_reflns_theta_full        27.35
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_limit_h_min       -34
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_k_min       -33
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_l_min       -55
_diffrn_reflns_limit_l_max       61

_refine_special_details          
'Refined as a 2-component inversion twin.,SQUEEZE'

_reflns_number_total             26983
_reflns_number_gt                19268
_reflns_threshold_expression     'I > 2σ(I)'

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_R_factor_all          0.1002
_refine_ls_R_factor_gt           0.0689
_refine_ls_wR_factor_gt          0.1842
_refine_ls_wR_factor_ref         0.2069
_refine_ls_goodness_of_fit_ref   1.119
_refine_ls_restrained_S_all      1.118
_refine_ls_number_reflns         26983
_refine_ls_number_parameters     1277
_refine_ls_number_restraints     67
_refine_ls_number_constraints    ?
_refine_ls_hydrogen_treatment    constr
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1142P)²+205.1360P] where P=(Fo²+2Fc²)/3'

_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?

_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         3.956
_refine_diff_density_min         -1.790
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 
;

Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.456(18)

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'
Br Br -0.2901 2.4595 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_computing_data_collection       'APEX2(Bruker AXS)'
_computing_cell_refinement       'APEX3 v2018.1-0 (Bruker AXS)'
_computing_data_reduction        'SAINT V8.34A (Bruker AXS Inc., 2013)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2017/1 (Sheldrick, 2017)'
_computing_molecular_graphics    'XSHELL V6.3.1(Bruker AXS)'
_computing_publication_material  'Generate Report (Bruker AXS)'

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_refinement_flags_posn
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag Ag1 0.36278(6) 0.73761(5) 0.41045(3) 0.0435(3) Uani d . . . 1 . .
Ag Ag2 0.41605(6) 0.71310(6) 0.51256(2) 0.0397(3) Uani d . . . 1 . .
Ag Ag3 0.333333 0.666667 0.46341(4) 0.0312(4) Uani d T P S 1 . .
Ag Ag4 0.35570(6) 0.78870(5) 0.47230(3) 0.0403(3) Uani d . . . 1 . .
Ag Ag5 0.46040(6) 0.75942(5) 0.45900(3) 0.0403(3) Uani d . . . 1 . .
Ag Ag6 0.53071(6) 0.84837(6) 0.39926(3) 0.0443(3) Uani d . . . 1 . .
Ag Ag7 0.37677(6) 0.87709(6) 0.40351(3) 0.0435(3) Uani d . . . 1 . .
Ag Ag8 0.49573(6) 0.91842(5) 0.47758(3) 0.0424(3) Uani d . . . 1 . .
Ag Ag9 0.38308(6) 0.60098(5) 0.57240(3) 0.0382(3) Uani d . . . 1 . .
Ag Ag10 0.666667 0.333333 0.62364(5) 0.0405(5) Uani d T P S 1 . .
Cu Cu1 0.333333 0.666667 0.55725(7) 0.0330(7) Uani d T P S 1 . .
Cu Cu2 0.44722(8) 0.84841(9) 0.43239(4) 0.0353(4) Uani d . . . 1 . .
Br Br1 0.39541(7) 0.56449(7) 0.51924(3) 0.0346(3) Uani d . . . 1 . .
Br Br2 0.27122(7) 0.76854(7) 0.40789(3) 0.0365(4) Uani d . . . 1 . .
Br Br3 0.666667 0.333333 0.67961(8) 0.0698(10) Uani d T P S 1 . .
P P1 0.39454(19) 0.54794(18) 0.61036(9) 0.0342(9) Uani d . . . 1 . .
P P2 0.62314(19) 0.90609(19) 0.37670(10) 0.0401(10) Uani d . . . 1 . .
P P3 0.37395(19) 0.9437(2) 0.37090(10) 0.0403(10) Uani d . . . 1 . .
P P4 0.5449(2) 1.01713(19) 0.49415(9) 0.0383(9) Uani d . . . 1 . .
P P5 0.58365(18) 0.23608(18) 0.60778(10) 0.0370(9) Uani d . . . 1 . .
C C1 0.4209(6) 0.7026(7) 0.5624(3) 0.033(3) Uani d . . . 1 . .
C C2 0.4702(7) 0.7158(7) 0.5632(4) 0.036(4) Uani d . . . 1 . .
C C3 0.5335(7) 0.7355(7) 0.5683(4) 0.044(4) Uani d . . . 1 . .
C C4 0.5596(9) 0.7130(12) 0.5497(5) 0.069(7) Uani d . . . 1 . .
H H4 0.53801 0.687817 0.534705 0.083 Uiso calc U . R 1 . .
C C5 0.6148(12) 0.7284(14) 0.5540(5) 0.080(8) Uani d . . . 1 . .
H H5 0.632378 0.710894 0.543436 0.096 Uiso calc U . R 1 . .
C C6 0.6487(9) 0.7721(13) 0.5750(6) 0.084(9) Uani d U . . 1 . .
H H6 0.689524 0.786125 0.576262 0.101 Uiso calc U . R 1 . .
C C7 0.6236(10) 0.7941(12) 0.5933(6) 0.080(8) Uani d . . . 1 . .
H H7 0.644257 0.819171 0.608496 0.096 Uiso calc U . R 1 . .
C C8 0.5646(7) 0.7759(9) 0.5873(5) 0.056(5) Uani d . . . 1 . .
H H8 0.546276 0.793374 0.597315 0.067 Uiso calc U . R 1 . .
C C11 0.4049(6) 0.8829(6) 0.4514(3) 0.030(3) Uani d . . . 1 . .
C C12 0.3704(8) 0.8976(7) 0.4607(4) 0.040(4) Uani d . . . 1 . .
C C13 0.3343(9) 0.9188(10) 0.4715(4) 0.056(5) Uani d . . . 1 . .
C C14 0.3590(10) 0.9733(9) 0.4847(4) 0.052(5) Uani d . . . 1 . .
H H14 0.399946 0.994783 0.488006 0.062 Uiso calc U . R 1 . .
C C15 0.3249(13) 0.9959(13) 0.4929(6) 0.085(8) Uani d . . . 1 . .
H H15 0.34242 1.033722 0.501073 0.102 Uiso calc U . R 1 . .
C C16 0.2644(11) 0.9637(12) 0.4894(6) 0.073(7) Uani d . . . 1 . .
H H16 0.240057 0.978716 0.495226 0.087 Uiso calc U . R 1 . .
C C17 0.2415(10) 0.9096(10) 0.4773(5) 0.066(6) Uani d . . . 1 . .
H H17 0.20021 0.886387 0.475501 0.079 Uiso calc U . R 1 . .
C C18 0.2744(9) 0.8883(11) 0.4680(5) 0.063(6) Uani d . . . 1 . .
H H18 0.256508 0.851521 0.458723 0.076 Uiso calc U . R 1 . .
C C21 0.5220(6) 0.8604(6) 0.4490(4) 0.034(3) Uani d . . . 1 . .
C C22 0.5625(7) 0.8668(6) 0.4640(3) 0.033(3) Uani d . . . 1 . .
C C23 0.6135(8) 0.8786(9) 0.4792(5) 0.051(5) Uani d . . . 1 . .
C C24 0.6682(8) 0.9053(9) 0.4672(5) 0.052(5) Uani d . . . 1 . .
H H24 0.6723 0.914476 0.447862 0.063 Uiso calc U . R 1 . .
C C25 0.7176(10) 0.9191(10) 0.4830(6) 0.073(7) Uani d . . . 1 . .
H H25 0.755507 0.940015 0.475021 0.088 Uiso calc U . R 1 . .
C C26 0.7107(10) 0.9025(10) 0.5093(5) 0.065(6) Uani d . . . 1 . .
H H26 0.744164 0.910237 0.519904 0.078 Uiso calc U . R 1 . .
C C27 0.6556(10) 0.8738(10) 0.5222(5) 0.065(6) Uani d . . . 1 . .
H H27 0.65281 0.864396 0.541471 0.078 Uiso calc U . R 1 . .
C C28 0.6059(10) 0.8593(10) 0.5075(5) 0.065(6) Uani d . . . 1 . .
H H28 0.568277 0.837512 0.515637 0.078 Uiso calc U . R 1 . .
C C31 0.4343(7) 0.8311(6) 0.3912(3) 0.033(3) Uani d . . . 1 . .
C C32 0.4280(7) 0.8144(8) 0.3679(4) 0.042(4) Uani d . . . 1 . .
C C33 0.4222(10) 0.7974(9) 0.3389(4) 0.056(5) Uani d . . . 1 . .
C C34 0.4137(8) 0.8315(10) 0.3195(4) 0.052(5) Uani d . . . 1 . .
H H34 0.409224 0.863538 0.325072 0.063 Uiso calc U . R 1 . .
C C35 0.4121(10) 0.8163(12) 0.2906(4) 0.068(7) Uani d . . . 1 . .
H H35 0.407033 0.838787 0.276478 0.082 Uiso calc U . R 1 . .
C C36 0.4177(10) 0.7694(13) 0.2835(4) 0.069(7) Uani d . . . 1 . .
H H36 0.416862 0.76057 0.264196 0.083 Uiso calc U . R 1 . .
C C37 0.4246(11) 0.7342(11) 0.3021(4) 0.067(6) Uani d . . . 1 . .
H H37 0.426314 0.700717 0.296147 0.08 Uiso calc U . R 1 . .
C C38 0.4290(11) 0.7499(9) 0.3305(4) 0.064(6) Uani d . . . 1 . .
H H38 0.436574 0.728303 0.344062 0.076 Uiso calc U . R 1 . .
C C41 0.3599(7) 0.4695(7) 0.6045(3) 0.034(3) Uani d . . . 1 . .
C C42 0.3357(8) 0.4304(8) 0.6252(4) 0.049(4) Uani d . . . 1 . .
H H42 0.336943 0.443066 0.643908 0.059 Uiso calc U . R 1 . .
C C43 0.3085(11) 0.3707(9) 0.6190(4) 0.058(5) Uani d . . . 1 . .
H H43 0.288859 0.342571 0.633283 0.069 Uiso calc U . R 1 . .
C C44 0.3103(9) 0.3527(8) 0.5922(4) 0.054(5) Uani d . . . 1 . .
H H44 0.292538 0.31209 0.588215 0.065 Uiso calc U . R 1 . .
C C45 0.3370(10) 0.3920(11) 0.5713(4) 0.064(6) Uani d . . . 1 . .
H H45 0.339418 0.379595 0.552923 0.077 Uiso calc U . R 1 . .
C C46 0.3613(7) 0.4529(6) 0.5778(3) 0.032(3) Uani d . . . 1 . .
H H46 0.378425 0.481427 0.563459 0.038 Uiso calc U . R 1 . .
C C47 0.3623(7) 0.5561(6) 0.6421(3) 0.033(3) Uani d . . . 1 . .
C C48 0.3827(8) 0.5559(8) 0.6688(4) 0.046(4) Uani d . . . 1 . .
H H48 0.413312 0.547332 0.671419 0.055 Uiso calc U . R 1 . .
C C49 0.3585(8) 0.5681(7) 0.6914(4) 0.045(4) Uani d . . . 1 . .
H H49 0.374723 0.570856 0.709436 0.054 Uiso calc U . R 1 . .
C C50 0.3107(8) 0.5764(8) 0.6886(4) 0.046(4) Uani d . . . 1 . .
H H50 0.293154 0.582856 0.704423 0.055 Uiso calc U . R 1 . .
C C51 0.2902(9) 0.5749(9) 0.6627(4) 0.055(5) Uani d . . . 1 . .
H H51 0.257662 0.580721 0.660669 0.067 Uiso calc U . R 1 . .
C C52 0.3149(8) 0.5651(8) 0.6380(4) 0.048(4) Uani d . . . 1 . .
H H52 0.300027 0.56483 0.619909 0.058 Uiso calc U . R 1 . .
C C53 0.4685(7) 0.5678(8) 0.6197(3) 0.040(4) Uani d . . . 1 . .
C C54 0.5120(7) 0.6293(8) 0.6187(4) 0.045(4) Uani d . . . 1 . .
H H54 0.501064 0.657112 0.613349 0.054 Uiso calc U . R 1 . .
C C55 0.5662(9) 0.6465(10) 0.6253(4) 0.058(5) Uani d . . . 1 . .
H H55 0.594814 0.686834 0.624442 0.069 Uiso calc U . R 1 . .
C C56 0.5825(10) 0.6048(11) 0.6337(5) 0.063(6) Uani d . . . 1 . .
H H56 0.622158 0.618092 0.638219 0.076 Uiso calc U . R 1 . .
C C57 0.5454(11) 0.5503(12) 0.6353(5) 0.067(6) Uani d . . . 1 . .
H H57 0.557579 0.523638 0.641168 0.081 Uiso calc U . R 1 . .
C C58 0.4866(9) 0.5299(8) 0.6285(4) 0.049(4) Uani d . . . 1 . .
H H58 0.458954 0.489354 0.630005 0.058 Uiso calc U . R 1 . .
C C59 0.6786(8) 0.8914(8) 0.3893(4) 0.048(4) Uani d . . . 1 . .
C C60 0.7344(8) 0.9360(10) 0.3944(5) 0.068(6) Uani d . . . 1 . .
H H60 0.746476 0.975074 0.389033 0.081 Uiso calc U . R 1 . .
C C61 0.7746(10) 0.9214(10) 0.4084(5) 0.062(6) Uani d . . . 1 . .
H H61 0.811463 0.951091 0.415115 0.075 Uiso calc U . R 1 . .
C C62 0.7573(10) 0.8632(11) 0.4117(5) 0.064(6) Uani d . . . 1 . .
H H62 0.785069 0.852779 0.417889 0.077 Uiso calc U . R 1 . .
C C63 0.7024(11) 0.8206(11) 0.4063(5) 0.064(6) Uani d . . . 1 . .
H H63 0.691221 0.780933 0.409629 0.077 Uiso calc U . R 1 . .
C C64 0.6624(8) 0.8345(8) 0.3961(3) 0.042(4) Uani d . . . 1 . .
H H64 0.62293 0.804561 0.393708 0.051 Uiso calc U . R 1 . .
C C65 0.6217(8) 0.8946(7) 0.3395(4) 0.048(5) Uani d . . . 1 . .
C C66 0.5769(7) 0.8908(8) 0.3236(3) 0.041(4) Uani d . . . 1 . .
H H66 0.548039 0.896248 0.332807 0.049 Uiso calc U . R 1 . .
C C67 0.5705(9) 0.8801(10) 0.2962(4) 0.052(5) Uani d . . . 1 . .
H H67 0.536303 0.87408 0.2867 0.062 Uiso calc U . R 1 . .
C C68 0.6156(9) 0.8780(8) 0.2817(5) 0.053(5) Uani d . . . 1 . .
H H68 0.61299 0.87267 0.262011 0.063 Uiso calc U . R 1 . .
C C69 0.6644(11) 0.8837(10) 0.2961(5) 0.065(6) Uani d . . . 1 . .
H H69 0.694701 0.881466 0.286498 0.078 Uiso calc U . R 1 . .
C C70 0.6673(9) 0.8930(11) 0.3253(4) 0.058(5) Uani d . . . 1 . .
H H70 0.700549 0.898283 0.335455 0.07 Uiso calc U . R 1 . .
C C71 0.6526(8) 0.9833(8) 0.3816(4) 0.046(4) Uani d . . . 1 . .
C C72 0.6385(9) 1.0046(9) 0.4056(5) 0.055(5) Uani d . . . 1 . .
H H72 0.613317 0.977522 0.419227 0.066 Uiso calc U . R 1 . .
C C73 0.6592(12) 1.0607(11) 0.4097(5) 0.071(6) Uani d . . . 1 . .
H H73 0.647904 1.073845 0.425757 0.085 Uiso calc U . R 1 . .
C C74 0.6974(13) 1.1004(9) 0.3906(6) 0.086(9) Uani d . . . 1 . .
H H74 0.713479 1.140676 0.394847 0.103 Uiso calc U . R 1 . .
C C75 0.7138(13) 1.0869(12) 0.3668(5) 0.086(8) Uani d . . . 1 . .
H H75 0.738063 1.115463 0.353465 0.103 Uiso calc U . R 1 . .
C C76 0.6917(10) 1.0255(10) 0.3628(5) 0.069(6) Uani d . . . 1 . .
H H76 0.703974 1.012978 0.346938 0.083 Uiso calc U . R 1 . .
C C77 0.4460(7) 1.0005(8) 0.3605(4) 0.042(4) Uani d . . . 1 . .
C C78 0.4937(9) 0.9907(9) 0.3599(5) 0.057(5) Uani d . . . 1 . .
H H78 0.488398 0.953592 0.365067 0.068 Uiso calc U . R 1 . .
C C79 0.5454(8) 1.0329(10) 0.3523(5) 0.062(6) Uani d . . . 1 . .
H H79 0.577212 1.025726 0.35284 0.075 Uiso calc U . R 1 . .
C C80 0.5559(9) 1.0860(10) 0.3437(5) 0.065(6) Uani d . . . 1 . .
H H80 0.594051 1.114763 0.337974 0.078 Uiso calc U . R 1 . .
C C81 0.5118(9) 1.0979(9) 0.3433(4) 0.055(5) Uani d . . . 1 . .
H H81 0.518372 1.134956 0.337225 0.066 Uiso calc U . R 1 . .
C C82 0.4574(9) 1.0556(9) 0.3520(5) 0.057(5) Uani d . . . 1 . .
H H82 0.426472 1.064156 0.352158 0.069 Uiso calc U . R 1 . .
C C83 0.3371(8) 0.9107(8) 0.3392(4) 0.045(4) Uani d . . . 1 . .
C C84 0.3544(10) 0.9372(9) 0.3124(4) 0.055(5) Uani d . . . 1 . .
H H84 0.385879 0.976204 0.310774 0.066 Uiso calc U . R 1 . .
C C85 0.3267(9) 0.9075(10) 0.2896(5) 0.060(5) Uani d . . . 1 . .
H H85 0.33993 0.925954 0.271959 0.072 Uiso calc U . R 1 . .
C C86 0.2799(9) 0.8514(10) 0.2902(5) 0.059(5) Uani d . . . 1 . .
H H86 0.261791 0.831398 0.273376 0.071 Uiso calc U . R 1 . .
C C87 0.2600(10) 0.8249(9) 0.3158(5) 0.059(5) Uani d . . . 1 . .
H H87 0.225928 0.78734 0.316909 0.07 Uiso calc U . R 1 . .
C C88 0.2906(7) 0.8540(6) 0.3405(4) 0.037(4) Uani d . . . 1 . .
H H88 0.279086 0.834431 0.35794 0.044 Uiso calc U . R 1 . .
C C89 0.3375(8) 0.9819(7) 0.3830(5) 0.050(5) Uani d . . . 1 . .
C C90 0.3029(10) 0.9958(8) 0.3654(4) 0.054(5) Uani d . . . 1 . .
H H90 0.298928 0.985519 0.346142 0.065 Uiso calc U . R 1 . .
C C91 0.2755(13) 1.0236(14) 0.3757(8) 0.098(10) Uani d U . . 1 . .
H H91 0.249886 1.029549 0.364108 0.117 Uiso calc U . R 1 . .
C C92 0.2846(14) 1.0434(13) 0.4033(7) 0.090(9) Uani d U . . 1 . .
H H92 0.264891 1.061806 0.411183 0.108 Uiso calc U . R 1 . .
C C93 0.3235(11) 1.0346(9) 0.4180(5) 0.063(6) Uani d . . . 1 . .
H H93 0.333484 1.051298 0.436103 0.076 Uiso calc U . R 1 . .
C C94 0.3484(9) 1.0055(10) 0.4096(5) 0.058(5) Uani d . . . 1 . .
H H94 0.374069 1.000418 0.421667 0.07 Uiso calc U . R 1 . .
C C95 0.5613(7) 1.0688(8) 0.4664(4) 0.042(4) Uani d . . . 1 . .
C C96 0.6088(10) 1.1263(8) 0.4677(5) 0.058(5) Uani d . . . 1 . .
H H96 0.633314 1.138677 0.483677 0.07 Uiso calc U . R 1 . .
C C97 0.6204(12) 1.1657(12) 0.4456(5) 0.079(7) Uani d . . . 1 . .
H H97 0.653692 1.203775 0.445631 0.094 Uiso calc U . R 1 . .
C C98 0.5796(13) 1.1453(12) 0.4234(5) 0.074(7) Uani d U . . 1 . .
H H98 0.584614 1.171501 0.408621 0.089 Uiso calc U . R 1 . .
C C99 0.5338(14) 1.0903(11) 0.4223(5) 0.080(8) Uani d . . . 1 . .
H H99 0.507442 1.077724 0.406984 0.096 Uiso calc U . R 1 . .
C C100 0.5266(9) 1.0539(8) 0.4433(4) 0.052(5) Uani d . . . 1 . .
H H100 0.494977 1.014882 0.442076 0.062 Uiso calc U . R 1 . .
C C101 0.5028(7) 1.0306(7) 0.5185(4) 0.040(4) Uani d . . . 1 . .
C C102 0.4697(7) 0.9872(7) 0.5380(3) 0.033(3) Uani d . . . 1 . .
H H102 0.471611 0.95227 0.5379 0.04 Uiso calc U . R 1 . .
C C103 0.4345(9) 0.9930(9) 0.5571(5) 0.066(6) Uani d . . . 1 . .
H H103 0.414205 0.963957 0.570897 0.079 Uiso calc U . R 1 . .
C C104 0.4292(8) 1.0428(9) 0.5557(4) 0.048(5) Uani d . . . 1 . .
H H104 0.404083 1.046687 0.568646 0.058 Uiso calc U . R 1 . .
C C105 0.4574(9) 1.0849(10) 0.5373(4) 0.057(5) Uani d . . . 1 . .
H H105 0.450435 1.116822 0.53635 0.068 Uiso calc U . R 1 . .
C C106 0.4980(11) 1.0823(9) 0.5190(5) 0.060(5) Uani d . . . 1 . .
H H106 0.521716 1.114335 0.507114 0.072 Uiso calc U . R 1 . .
C C107 0.6136(8) 1.0406(6) 0.5116(4) 0.051(5) Uani d U . . 1 . .
C C108 0.6514(7) 1.0233(8) 0.5012(4) 0.046(4) Uani d . . . 1 . .
H H108 0.639403 0.998114 0.48542 0.055 Uiso calc U . R 1 . .
C C109 0.7051(9) 1.0405(10) 0.5125(5) 0.066(6) Uani d U . . 1 . .
H H109 0.72888 1.025872 0.505337 0.08 Uiso calc U . R 1 . .
C C110 0.7237(10) 1.0786(10) 0.5339(5) 0.070(7) Uani d . . . 1 . .
H H110 0.762055 1.093508 0.541155 0.084 Uiso calc U . R 1 . .
C C111 0.6882(10) 1.0954(9) 0.5450(5) 0.064(6) Uani d . . . 1 . .
H H111 0.700961 1.12052 0.560787 0.077 Uiso calc U . R 1 . .
C C112 0.6341(9) 1.0776(8) 0.5342(4) 0.050(5) Uani d . . . 1 . .
H H112 0.610093 1.090819 0.542528 0.061 Uiso calc U . R 1 . .
C C113 0.5637(7) 0.2371(7) 0.5715(4) 0.042(4) Uani d . . . 1 . .
C C114 0.6004(9) 0.2376(8) 0.5509(4) 0.052(5) Uani d . . . 1 . .
H H114 0.633464 0.23438 0.555978 0.063 Uiso calc U . R 1 . .
C C115 0.5902(8) 0.2427(9) 0.5229(4) 0.053(5) Uani d . . . 1 . .
H H115 0.614504 0.240231 0.509039 0.063 Uiso calc U . R 1 . .
C C116 0.5450(8) 0.2513(9) 0.5152(4) 0.047(4) Uani d . . . 1 . .
H H116 0.537302 0.255561 0.496223 0.057 Uiso calc U . R 1 . .
C C117 0.5108(11) 0.2535(10) 0.5371(5) 0.067(6) Uani d . . . 1 . .
H H117 0.479996 0.260591 0.532325 0.08 Uiso calc U . R 1 . .
C C118 0.5178(8) 0.2463(8) 0.5640(4) 0.046(4) Uani d . . . 1 . .
H H118 0.492447 0.247472 0.577679 0.056 Uiso calc U . R 1 . .
C C119 0.5153(8) 0.2033(7) 0.6249(4) 0.045(4) Uani d . . . 1 . .
C C120 0.4633(11) 0.1593(11) 0.6147(5) 0.069(7) Uani d . . . 1 . .
H H120 0.460924 0.145936 0.59608 0.083 Uiso calc U . R 1 . .
C C121 0.4100(10) 0.1322(12) 0.6331(8) 0.089(9) Uani d U . . 1 . .
H H121 0.374854 0.100049 0.626228 0.107 Uiso calc U . R 1 . .
C C122 0.4105(13) 0.1514(12) 0.6583(7) 0.086(9) Uani d U . . 1 . .
H H122 0.37506 0.135225 0.668597 0.103 Uiso calc U . R 1 . .
C C123 0.4614(13) 0.1947(12) 0.6703(6) 0.082(8) Uani d . . . 1 . .
H H123 0.462169 0.207439 0.688908 0.098 Uiso calc U . R 1 . .
C C124 0.5123(9) 0.2193(9) 0.6535(5) 0.056(5) Uani d . . . 1 . .
H H124 0.547516 0.248715 0.661739 0.068 Uiso calc U . R 1 . .
C C125 0.6030(7) 0.1786(7) 0.6101(4) 0.040(4) Uani d . . . 1 . .
C C126 0.5728(9) 0.1243(9) 0.5950(5) 0.055(5) Uani d . . . 1 . .
H H126 0.542288 0.117053 0.582217 0.066 Uiso calc U . R 1 . .
C C127 0.5890(11) 0.0846(9) 0.5994(5) 0.064(6) Uani d . . . 1 . .
H H127 0.570176 0.048804 0.589334 0.077 Uiso calc U . R 1 . .
C C128 0.6311(11) 0.0939(12) 0.6177(6) 0.071(7) Uani d . . . 1 . .
H H128 0.63989 0.063604 0.620721 0.085 Uiso calc U . R 1 . .
C C129 0.6626(14) 0.1462(13) 0.6325(7) 0.093(9) Uani d U . . 1 . .
H H129 0.693951 0.152881 0.644518 0.112 Uiso calc U . R 1 . .
C C130 0.6461(8) 0.1870(7) 0.6287(4) 0.041(4) Uani d . . . 1 . .
H H130 0.6648 0.222093 0.639292 0.049 Uiso calc U . R 1 . .
P P6 0.333333 0.666667 0.7695(3) 0.077(3) Uani d T P S 1 . .
F F1 0.3485(12) 0.6296(10) 0.7514(5) 0.141(8) Uani d U . . 1 . .
F F2 0.3365(18) 0.7172(13) 0.7886(5) 0.186(12) Uani d U . . 1 . .


_geom_special_details            
;

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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Ag1 C31 . 2.420(15) ?
Ag1 Ag1 2_665 2.825(2) ?
Ag1 Ag1 3_565 2.825(2) ?
Ag1 Cu2 . 2.849(2) ?
Ag1 Br2 . 2.917(2) ?
Ag1 Ag3 . 3.015(2) ?
Ag1 Ag4 . 3.298(2) ?
Ag1 Ag5 . 3.302(2) ?
Ag2 C1 . 2.411(15) ?
Ag2 Ag5 . 2.8305(18) ?
Ag2 Ag4 3_565 2.8342(18) ?
Ag2 Cu1 . 2.859(3) ?
Ag2 Br1 2_665 2.908(2) ?
Ag2 Ag3 . 3.023(2) ?
Ag2 Ag2 3_565 3.286(2) ?
Ag2 Ag2 2_665 3.286(2) ?
Ag3 Ag4 2_665 3.0030(13) ?
Ag3 Ag4 3_565 3.0030(13) ?
Ag3 Ag4 . 3.0030(13) ?
Ag3 Ag5 2_665 3.0153(13) ?
Ag3 Ag5 3_565 3.0153(13) ?
Ag3 Ag5 . 3.0153(13) ?
Ag4 C11 . 2.376(15) ?
Ag4 Ag5 2_665 2.8243(18) ?
Ag4 Cu2 . 2.858(2) ?
Ag4 Br1 2_665 2.896(2) ?
Ag4 Ag5 . 3.2854(19) ?
Ag5 C21 . 2.379(15) ?
Ag5 Cu2 . 2.844(2) ?
Ag5 Br2 3_565 2.895(2) ?
Ag6 C31 . 2.385(16) ?
Ag6 P2 . 2.394(4) ?
Ag6 C21 . 2.426(17) ?
Ag6 Cu2 . 2.717(2) ?
Ag6 Br2 3_565 2.854(2) ?
Ag7 P3 . 2.381(4) ?
Ag7 C11 . 2.391(15) ?
Ag7 C31 . 2.446(16) ?
Ag7 Cu2 . 2.713(2) ?
Ag7 Br2 . 2.837(2) ?
Ag8 P4 . 2.394(4) ?
Ag8 C21 . 2.402(15) ?
Ag8 C11 . 2.440(14) ?
Ag8 Cu2 . 2.715(2) ?
Ag8 Br1 2_665 2.859(2) ?
Ag9 C1 . 2.398(16) ?
Ag9 P1 . 2.404(4) ?
Ag9 C1 3_565 2.488(16) ?
Ag9 Cu1 . 2.7468(15) ?
Ag9 Br1 . 2.797(2) ?
Ag10 P5 2_655 2.520(4) ?
Ag10 P5 3_665 2.520(4) ?
Ag10 P5 . 2.520(4) ?
Ag10 Br3 . 2.680(4) ?
Cu1 C1 2_665 2.028(14) ?
Cu1 C1 3_565 2.028(14) ?
Cu1 C1 . 2.028(14) ?
Cu2 C11 . 1.980(15) ?
Cu2 C21 . 2.002(15) ?
Cu2 C31 . 2.017(16) ?
P1 C53 . 1.807(17) ?
P1 C47 . 1.807(15) ?
P1 C41 . 1.821(16) ?
P2 C59 . 1.797(19) ?
P2 C71 . 1.80(2) ?
P2 C65 . 1.80(2) ?
P3 C83 . 1.778(18) ?
P3 C89 . 1.804(19) ?
P3 C77 . 1.806(19) ?
P4 C101 . 1.767(18) ?
P4 C95 . 1.798(16) ?
P4 C107 . 1.80(2) ?
P5 C119 . 1.766(18) ?
P5 C113 . 1.819(18) ?
P5 C125 . 1.831(17) ?
C1 C2 . 1.17(2) ?
C2 C3 . 1.50(2) ?
C3 C8 . 1.33(3) ?
C3 C4 . 1.43(3) ?
C4 C5 . 1.32(3) ?
C4 H4 . 0.95 ?
C5 C6 . 1.45(4) ?
C5 H5 . 0.95 ?
C6 C7 . 1.39(4) ?
C6 H6 . 0.95 ?
C7 C8 . 1.41(3) ?
C7 H7 . 0.95 ?
C8 H8 . 0.95 ?
C11 C12 . 1.24(2) ?
C12 C13 . 1.42(3) ?
C13 C18 . 1.38(3) ?
C13 C14 . 1.40(3) ?
C14 C15 . 1.36(3) ?
C14 H14 . 0.95 ?
C15 C16 . 1.39(4) ?
C15 H15 . 0.95 ?
C16 C17 . 1.37(3) ?
C16 H16 . 0.95 ?
C17 C18 . 1.33(3) ?
C17 H17 . 0.95 ?
C18 H18 . 0.95 ?
C21 C22 . 1.23(2) ?
C22 C23 . 1.42(2) ?
C23 C24 . 1.38(3) ?
C23 C28 . 1.43(3) ?
C24 C25 . 1.39(3) ?
C24 H24 . 0.95 ?
C25 C26 . 1.31(4) ?
C25 H25 . 0.95 ?
C26 C27 . 1.40(3) ?
C26 H26 . 0.95 ?
C27 C28 . 1.36(3) ?
C27 H27 . 0.95 ?
C28 H28 . 0.95 ?
C31 C32 . 1.18(2) ?
C32 C33 . 1.45(3) ?
C33 C34 . 1.39(3) ?
C33 C38 . 1.41(3) ?
C34 C35 . 1.43(3) ?
C34 H34 . 0.95 ?
C35 C36 . 1.37(4) ?
C35 H35 . 0.95 ?
C36 C37 . 1.36(3) ?
C36 H36 . 0.95 ?
C37 C38 . 1.41(3) ?
C37 H37 . 0.95 ?
C38 H38 . 0.95 ?
C41 C42 . 1.34(2) ?
C41 C46 . 1.36(2) ?
C42 C43 . 1.40(3) ?
C42 H42 . 0.95 ?
C43 C44 . 1.38(3) ?
C43 H43 . 0.95 ?
C44 C45 . 1.36(3) ?
C44 H44 . 0.95 ?
C45 C46 . 1.44(3) ?
C45 H45 . 0.95 ?
C46 H46 . 0.95 ?
C47 C48 . 1.39(2) ?
C47 C52 . 1.40(2) ?
C48 C49 . 1.38(3) ?
C48 H48 . 0.95 ?
C49 C50 . 1.39(3) ?
C49 H49 . 0.95 ?
C50 C51 . 1.34(3) ?
C50 H50 . 0.95 ?
C51 C52 . 1.44(3) ?
C51 H51 . 0.95 ?
C52 H52 . 0.95 ?
C53 C58 . 1.38(2) ?
C53 C54 . 1.45(2) ?
C54 C55 . 1.31(3) ?
C54 H54 . 0.95 ?
C55 C56 . 1.43(3) ?
C55 H55 . 0.95 ?
C56 C57 . 1.28(3) ?
C56 H56 . 0.95 ?
C57 C58 . 1.41(3) ?
C57 H57 . 0.95 ?
C58 H58 . 0.95 ?
C59 C60 . 1.37(3) ?
C59 C64 . 1.38(3) ?
C60 C61 . 1.46(3) ?
C60 H60 . 0.95 ?
C61 C62 . 1.38(3) ?
C61 H61 . 0.95 ?
C62 C63 . 1.34(3) ?
C62 H62 . 0.95 ?
C63 C64 . 1.37(3) ?
C63 H63 . 0.95 ?
C64 H64 . 0.95 ?
C65 C66 . 1.37(3) ?
C65 C70 . 1.40(2) ?
C66 C67 . 1.34(3) ?
C66 H66 . 0.95 ?
C67 C68 . 1.40(3) ?
C67 H67 . 0.95 ?
C68 C69 . 1.40(3) ?
C68 H68 . 0.95 ?
C69 C70 . 1.42(3) ?
C69 H69 . 0.95 ?
C70 H70 . 0.95 ?
C71 C76 . 1.40(3) ?
C71 C72 . 1.41(3) ?
C72 C73 . 1.31(3) ?
C72 H72 . 0.95 ?
C73 C74 . 1.38(4) ?
C73 H73 . 0.95 ?
C74 C75 . 1.33(4) ?
C74 H74 . 0.95 ?
C75 C76 . 1.43(4) ?
C75 H75 . 0.95 ?
C76 H76 . 0.95 ?
C77 C82 . 1.39(3) ?
C77 C78 . 1.41(3) ?
C78 C79 . 1.31(3) ?
C78 H78 . 0.95 ?
C79 C80 . 1.35(3) ?
C79 H79 . 0.95 ?
C80 C81 . 1.35(3) ?
C80 H80 . 0.95 ?
C81 C82 . 1.37(3) ?
C81 H81 . 0.95 ?
C82 H82 . 0.95 ?
C83 C88 . 1.38(2) ?
C83 C84 . 1.42(3) ?
C84 C85 . 1.33(3) ?
C84 H84 . 0.95 ?
C85 C86 . 1.38(3) ?
C85 H85 . 0.95 ?
C86 C87 . 1.38(3) ?
C86 H86 . 0.95 ?
C87 C88 . 1.42(3) ?
C87 H87 . 0.95 ?
C88 H88 . 0.95 ?
C89 C94 . 1.38(3) ?
C89 C90 . 1.42(3) ?
C90 C91 . 1.36(3) ?
C90 H90 . 0.95 ?
C91 C92 . 1.39(4) ?
C91 H91 . 0.95 ?
C92 C93 . 1.36(4) ?
C92 H92 . 0.95 ?
C93 C94 . 1.30(3) ?
C93 H93 . 0.95 ?
C94 H94 . 0.95 ?
C95 C100 . 1.36(3) ?
C95 C96 . 1.41(3) ?
C96 C97 . 1.40(3) ?
C96 H96 . 0.95 ?
C97 C98 . 1.42(3) ?
C97 H97 . 0.95 ?
C98 C99 . 1.35(4) ?
C98 H98 . 0.95 ?
C99 C100 . 1.34(3) ?
C99 H99 . 0.95 ?
C100 H100 . 0.95 ?
C101 C102 . 1.39(2) ?
C101 C106 . 1.43(3) ?
C102 C103 . 1.37(3) ?
C102 H102 . 0.95 ?
C103 C104 . 1.39(3) ?
C103 H103 . 0.95 ?
C104 C105 . 1.32(3) ?
C104 H104 . 0.95 ?
C105 C106 . 1.41(3) ?
C105 H105 . 0.95 ?
C106 H106 . 0.95 ?
C107 C112 . 1.38(3) ?
C107 C108 . 1.38(3) ?
C108 C109 . 1.37(3) ?
C108 H108 . 0.95 ?
C109 C110 . 1.35(3) ?
C109 H109 . 0.95 ?
C110 C111 . 1.33(4) ?
C110 H110 . 0.95 ?
C111 C112 . 1.36(3) ?
C111 H111 . 0.95 ?
C112 H112 . 0.95 ?
C113 C114 . 1.38(3) ?
C113 C118 . 1.40(3) ?
C114 C115 . 1.39(3) ?
C114 H114 . 0.95 ?
C115 C116 . 1.37(3) ?
C115 H115 . 0.95 ?
C116 C117 . 1.40(3) ?
C116 H116 . 0.95 ?
C117 C118 . 1.32(3) ?
C117 H117 . 0.95 ?
C118 H118 . 0.95 ?
C119 C120 . 1.37(3) ?
C119 C124 . 1.45(3) ?
C120 C121 . 1.51(3) ?
C120 H120 . 0.95 ?
C121 C122 . 1.30(4) ?
C121 H121 . 0.95 ?
C122 C123 . 1.38(4) ?
C122 H122 . 0.95 ?
C123 C124 . 1.41(3) ?
C123 H123 . 0.95 ?
C124 H124 . 0.95 ?
C125 C130 . 1.38(2) ?
C125 C126 . 1.44(3) ?
C126 C127 . 1.33(3) ?
C126 H126 . 0.95 ?
C127 C128 . 1.34(3) ?
C127 H127 . 0.95 ?
C128 C129 . 1.40(4) ?
C128 H128 . 0.95 ?
C129 C130 . 1.36(3) ?
C129 H129 . 0.95 ?
C130 H130 . 0.95 ?
P6 F1 3_565 1.50(2) ?
P6 F1 . 1.50(2) ?
P6 F1 2_665 1.50(2) ?
P6 F2 3_565 1.59(3) ?
P6 F2 . 1.59(3) ?
P6 F2 2_665 1.59(3) ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
C31 Ag1 Ag1 . 2_665 156.4(4) ?
C31 Ag1 Ag1 . 3_565 124.1(4) ?
Ag1 Ag1 Ag1 2_665 3_565 60.0 ?
C31 Ag1 Cu2 . . 44.1(4) ?
Ag1 Ag1 Cu2 2_665 . 157.14(6) ?
Ag1 Ag1 Cu2 3_565 . 124.51(8) ?
C31 Ag1 Br2 . . 91.8(4) ?
Ag1 Ag1 Br2 2_665 . 79.66(7) ?
Ag1 Ag1 Br2 3_565 . 139.59(7) ?
Cu2 Ag1 Br2 . . 93.48(6) ?
C31 Ag1 Ag3 . . 141.5(4) ?
Ag1 Ag1 Ag3 2_665 . 62.06(3) ?
Ag1 Ag1 Ag3 3_565 . 62.06(3) ?
Cu2 Ag1 Ag3 . . 98.90(6) ?
Br2 Ag1 Ag3 . . 102.54(6) ?
C31 Ag1 Ag4 . . 95.7(4) ?
Ag1 Ag1 Ag4 2_665 . 102.41(4) ?
Ag1 Ag1 Ag4 3_565 . 116.12(3) ?
Cu2 Ag1 Ag4 . . 54.83(5) ?
Br2 Ag1 Ag4 . . 72.45(5) ?
Ag3 Ag1 Ag4 . . 56.60(4) ?
C31 Ag1 Ag5 . . 87.0(4) ?
Ag1 Ag1 Ag5 2_665 . 115.10(4) ?
Ag1 Ag1 Ag5 3_565 . 73.67(5) ?
Cu2 Ag1 Ag5 . . 54.49(5) ?
Br2 Ag1 Ag5 . . 131.72(6) ?
Ag3 Ag1 Ag5 . . 56.81(3) ?
Ag4 Ag1 Ag5 . . 59.71(4) ?
C1 Ag2 Ag5 . . 155.7(4) ?
C1 Ag2 Ag4 . 3_565 124.4(4) ?
Ag5 Ag2 Ag4 . 3_565 59.81(5) ?
C1 Ag2 Cu1 . . 44.3(3) ?
Ag5 Ag2 Cu1 . . 157.76(7) ?
Ag4 Ag2 Cu1 3_565 . 124.45(6) ?
C1 Ag2 Br1 . 2_665 91.3(4) ?
Ag5 Ag2 Br1 . 2_665 79.83(5) ?
Ag4 Ag2 Br1 3_565 2_665 139.57(6) ?
Cu1 Ag2 Br1 . 2_665 93.73(5) ?
C1 Ag2 Ag3 . . 142.4(4) ?
Ag5 Ag2 Ag3 . . 61.91(4) ?
Ag4 Ag2 Ag3 3_565 . 61.59(4) ?
Cu1 Ag2 Ag3 . . 99.56(7) ?
Br1 Ag2 Ag3 2_665 . 103.00(5) ?
C1 Ag2 Ag2 . 3_565 87.6(4) ?
Ag5 Ag2 Ag2 . 3_565 115.04(4) ?
Ag4 Ag2 Ag2 3_565 3_565 73.15(5) ?
Cu1 Ag2 Ag2 . 3_565 54.93(4) ?
Br1 Ag2 Ag2 2_665 3_565 132.59(6) ?
Ag3 Ag2 Ag2 . 3_565 57.07(3) ?
C1 Ag2 Ag2 . 2_665 95.9(3) ?
Ag5 Ag2 Ag2 . 2_665 102.93(5) ?
Ag4 Ag2 Ag2 3_565 2_665 115.99(4) ?
Cu1 Ag2 Ag2 . 2_665 54.93(4) ?
Br1 Ag2 Ag2 2_665 2_665 73.01(6) ?
Ag3 Ag2 Ag2 . 2_665 57.07(3) ?
Ag2 Ag2 Ag2 3_565 2_665 60.0000(10) ?
Ag4 Ag3 Ag4 2_665 3_565 118.03(2) ?
Ag4 Ag3 Ag4 2_665 . 118.03(2) ?
Ag4 Ag3 Ag4 3_565 . 118.03(2) ?
Ag4 Ag3 Ag1 2_665 2_665 66.46(4) ?
Ag4 Ag3 Ag1 3_565 2_665 119.63(6) ?
Ag4 Ag3 Ag1 . 2_665 105.22(5) ?
Ag4 Ag3 Ag1 2_665 . 119.63(6) ?
Ag4 Ag3 Ag1 3_565 . 105.22(5) ?
Ag4 Ag3 Ag1 . . 66.46(4) ?
Ag1 Ag3 Ag1 2_665 . 55.88(6) ?
Ag4 Ag3 Ag1 2_665 3_565 105.22(5) ?
Ag4 Ag3 Ag1 3_565 3_565 66.46(4) ?
Ag4 Ag3 Ag1 . 3_565 119.63(6) ?
Ag1 Ag3 Ag1 2_665 3_565 55.88(6) ?
Ag1 Ag3 Ag1 . 3_565 55.88(6) ?
Ag4 Ag3 Ag5 2_665 2_665 66.17(4) ?
Ag4 Ag3 Ag5 3_565 2_665 173.37(6) ?
Ag4 Ag3 Ag5 . 2_665 55.97(4) ?
Ag1 Ag3 Ag5 2_665 2_665 66.40(4) ?
Ag1 Ag3 Ag5 . 2_665 75.53(5) ?
Ag1 Ag3 Ag5 3_565 2_665 118.28(7) ?
Ag4 Ag3 Ag5 2_665 3_565 55.98(4) ?
Ag4 Ag3 Ag5 3_565 3_565 66.17(4) ?
Ag4 Ag3 Ag5 . 3_565 173.37(6) ?
Ag1 Ag3 Ag5 2_665 3_565 75.53(5) ?
Ag1 Ag3 Ag5 . 3_565 118.28(7) ?
Ag1 Ag3 Ag5 3_565 3_565 66.40(4) ?
Ag5 Ag3 Ag5 2_665 3_565 119.515(12) ?
Ag4 Ag3 Ag5 2_665 . 173.37(6) ?
Ag4 Ag3 Ag5 3_565 . 55.98(4) ?
Ag4 Ag3 Ag5 . . 66.17(4) ?
Ag1 Ag3 Ag5 2_665 . 118.28(7) ?
Ag1 Ag3 Ag5 . . 66.39(4) ?
Ag1 Ag3 Ag5 3_565 . 75.53(5) ?
Ag5 Ag3 Ag5 2_665 . 119.514(12) ?
Ag5 Ag3 Ag5 3_565 . 119.516(12) ?
Ag4 Ag3 Ag2 2_665 . 119.13(7) ?
Ag4 Ag3 Ag2 3_565 . 56.11(4) ?
Ag4 Ag3 Ag2 . . 74.92(5) ?
Ag1 Ag3 Ag2 2_665 . 173.81(6) ?
Ag1 Ag3 Ag2 . . 119.54(4) ?
Ag1 Ag3 Ag2 3_565 . 118.49(4) ?
Ag5 Ag3 Ag2 2_665 . 117.63(6) ?
Ag5 Ag3 Ag2 3_565 . 105.08(5) ?
Ag5 Ag3 Ag2 . . 55.91(4) ?
Ag4 Ag3 Ag2 2_665 2_665 74.92(5) ?
Ag4 Ag3 Ag2 3_565 2_665 119.13(7) ?
Ag4 Ag3 Ag2 . 2_665 56.11(4) ?
Ag1 Ag3 Ag2 2_665 2_665 119.54(4) ?
Ag1 Ag3 Ag2 . 2_665 118.49(4) ?
Ag1 Ag3 Ag2 3_565 2_665 173.81(6) ?
Ag5 Ag3 Ag2 2_665 2_665 55.91(4) ?
Ag5 Ag3 Ag2 3_565 2_665 117.63(6) ?
Ag5 Ag3 Ag2 . 2_665 105.08(5) ?
Ag2 Ag3 Ag2 . 2_665 65.85(6) ?
Ag4 Ag3 Ag2 2_665 3_565 56.11(4) ?
Ag4 Ag3 Ag2 3_565 3_565 74.92(5) ?
Ag4 Ag3 Ag2 . 3_565 119.13(7) ?
Ag1 Ag3 Ag2 2_665 3_565 118.49(4) ?
Ag1 Ag3 Ag2 . 3_565 173.81(6) ?
Ag1 Ag3 Ag2 3_565 3_565 119.54(4) ?
Ag5 Ag3 Ag2 2_665 3_565 105.08(5) ?
Ag5 Ag3 Ag2 3_565 3_565 55.91(4) ?
Ag5 Ag3 Ag2 . 3_565 117.63(6) ?
Ag2 Ag3 Ag2 . 3_565 65.85(6) ?
Ag2 Ag3 Ag2 2_665 3_565 65.85(6) ?
C11 Ag4 Ag5 . 2_665 124.4(4) ?
C11 Ag4 Ag2 . 2_665 156.9(4) ?
Ag5 Ag4 Ag2 2_665 2_665 60.03(5) ?
C11 Ag4 Cu2 . . 43.2(4) ?
Ag5 Ag4 Cu2 2_665 . 124.67(7) ?
Ag2 Ag4 Cu2 2_665 . 157.39(7) ?
C11 Ag4 Br1 . 2_665 90.7(4) ?
Ag5 Ag4 Br1 2_665 2_665 140.24(6) ?
Ag2 Ag4 Br1 2_665 2_665 80.36(5) ?
Cu2 Ag4 Br1 . 2_665 93.10(6) ?
C11 Ag4 Ag3 . . 140.8(4) ?
Ag5 Ag4 Ag3 2_665 . 62.23(4) ?
Ag2 Ag4 Ag3 2_665 . 62.30(5) ?
Cu2 Ag4 Ag3 . . 98.97(6) ?
Br1 Ag4 Ag3 2_665 . 103.77(6) ?
C11 Ag4 Ag5 . . 94.6(4) ?
Ag5 Ag4 Ag5 2_665 . 116.82(6) ?
Ag2 Ag4 Ag5 2_665 . 102.86(5) ?
Cu2 Ag4 Ag5 . . 54.62(5) ?
Br1 Ag4 Ag5 2_665 . 72.82(5) ?
Ag3 Ag4 Ag5 . . 57.09(3) ?
C11 Ag4 Ag1 . . 86.4(3) ?
Ag5 Ag4 Ag1 2_665 . 73.74(5) ?
Ag2 Ag4 Ag1 2_665 . 115.37(5) ?
Cu2 Ag4 Ag1 . . 54.58(5) ?
Br1 Ag4 Ag1 2_665 . 132.45(6) ?
Ag3 Ag4 Ag1 . . 56.94(5) ?
Ag5 Ag4 Ag1 . . 60.20(4) ?
C21 Ag5 Ag4 . 3_565 156.5(4) ?
C21 Ag5 Ag2 . . 124.8(4) ?
Ag4 Ag5 Ag2 3_565 . 60.16(5) ?
C21 Ag5 Cu2 . . 44.0(4) ?
Ag4 Ag5 Cu2 3_565 . 156.87(7) ?
Ag2 Ag5 Cu2 . . 124.60(7) ?
C21 Ag5 Br2 . 3_565 90.3(4) ?
Ag4 Ag5 Br2 3_565 3_565 80.23(5) ?
Ag2 Ag5 Br2 . 3_565 140.28(6) ?
Cu2 Ag5 Br2 . 3_565 92.88(6) ?
C21 Ag5 Ag3 . . 141.7(3) ?
Ag4 Ag5 Ag3 3_565 . 61.79(4) ?
Ag2 Ag5 Ag3 . . 62.18(5) ?
Cu2 Ag5 Ag3 . . 99.00(6) ?
Br2 Ag5 Ag3 3_565 . 103.04(6) ?
C21 Ag5 Ag4 . . 87.7(3) ?
Ag4 Ag5 Ag4 3_565 . 114.65(6) ?
Ag2 Ag5 Ag4 . . 73.20(5) ?
Cu2 Ag5 Ag4 . . 55.02(5) ?
Br2 Ag5 Ag4 3_565 . 132.11(6) ?
Ag3 Ag5 Ag4 . . 56.73(3) ?
C21 Ag5 Ag1 . . 95.2(4) ?
Ag4 Ag5 Ag1 3_565 . 102.32(5) ?
Ag2 Ag5 Ag1 . . 116.36(5) ?
Cu2 Ag5 Ag1 . . 54.63(5) ?
Br2 Ag5 Ag1 3_565 . 72.49(5) ?
Ag3 Ag5 Ag1 . . 56.79(5) ?
Ag4 Ag5 Ag1 . . 60.09(4) ?
C31 Ag6 P2 . . 134.5(4) ?
C31 Ag6 C21 . . 91.3(5) ?
P2 Ag6 C21 . . 119.5(4) ?
C31 Ag6 Cu2 . . 46.0(4) ?
P2 Ag6 Cu2 . . 146.39(13) ?
C21 Ag6 Cu2 . . 45.4(3) ?
C31 Ag6 Br2 . 3_565 95.9(3) ?
P2 Ag6 Br2 . 3_565 115.01(12) ?
C21 Ag6 Br2 . 3_565 90.4(3) ?
Cu2 Ag6 Br2 . 3_565 96.56(6) ?
P3 Ag7 C11 . . 134.8(4) ?
P3 Ag7 C31 . . 117.7(4) ?
C11 Ag7 C31 . . 90.7(5) ?
P3 Ag7 Cu2 . . 145.07(13) ?
C11 Ag7 Cu2 . . 45.1(4) ?
C31 Ag7 Cu2 . . 45.7(4) ?
P3 Ag7 Br2 . . 114.68(13) ?
C11 Ag7 Br2 . . 96.4(3) ?
C31 Ag7 Br2 . . 93.2(3) ?
Cu2 Ag7 Br2 . . 98.32(6) ?
P4 Ag8 C21 . . 135.3(4) ?
P4 Ag8 C11 . . 118.9(4) ?
C21 Ag8 C11 . . 90.2(5) ?
P4 Ag8 Cu2 . . 145.13(13) ?
C21 Ag8 Cu2 . . 45.6(4) ?
C11 Ag8 Cu2 . . 44.8(3) ?
P4 Ag8 Br1 . 2_665 115.41(12) ?
C21 Ag8 Br1 . 2_665 96.0(4) ?
C11 Ag8 Br1 . 2_665 90.3(3) ?
Cu2 Ag8 Br1 . 2_665 97.05(6) ?
C1 Ag9 P1 . . 134.5(4) ?
C1 Ag9 C1 . 3_565 91.1(6) ?
P1 Ag9 C1 . 3_565 116.4(4) ?
C1 Ag9 Cu1 . . 45.8(3) ?
P1 Ag9 Cu1 . . 143.82(13) ?
C1 Ag9 Cu1 3_565 . 45.3(3) ?
C1 Ag9 Br1 . . 98.5(4) ?
P1 Ag9 Br1 . . 114.60(11) ?
C1 Ag9 Br1 3_565 . 92.4(4) ?
Cu1 Ag9 Br1 . . 98.77(8) ?
P5 Ag10 P5 2_655 3_665 111.35(11) ?
P5 Ag10 P5 2_655 . 111.35(11) ?
P5 Ag10 P5 3_665 . 111.35(11) ?
P5 Ag10 Br3 2_655 . 107.52(12) ?
P5 Ag10 Br3 3_665 . 107.52(12) ?
P5 Ag10 Br3 . . 107.53(12) ?
C1 Cu1 C1 2_665 3_565 118.56(19) ?
C1 Cu1 C1 2_665 . 118.56(19) ?
C1 Cu1 C1 3_565 . 118.56(19) ?
C1 Cu1 Ag9 2_665 . 157.7(5) ?
C1 Cu1 Ag9 3_565 . 60.6(5) ?
C1 Cu1 Ag9 . . 58.0(5) ?
C1 Cu1 Ag9 2_665 3_565 60.6(5) ?
C1 Cu1 Ag9 3_565 3_565 58.0(5) ?
C1 Cu1 Ag9 . 3_565 157.7(5) ?
Ag9 Cu1 Ag9 . 3_565 113.29(6) ?
C1 Cu1 Ag9 2_665 2_665 58.0(5) ?
C1 Cu1 Ag9 3_565 2_665 157.7(5) ?
C1 Cu1 Ag9 . 2_665 60.6(5) ?
Ag9 Cu1 Ag9 . 2_665 113.29(6) ?
Ag9 Cu1 Ag9 3_565 2_665 113.29(6) ?
C1 Cu1 Ag2 2_665 2_665 56.1(4) ?
C1 Cu1 Ag2 3_565 2_665 108.4(5) ?
C1 Cu1 Ag2 . 2_665 120.9(5) ?
Ag9 Cu1 Ag2 . 2_665 146.13(12) ?
Ag9 Cu1 Ag2 3_565 2_665 78.36(5) ?
Ag9 Cu1 Ag2 2_665 2_665 87.94(5) ?
C1 Cu1 Ag2 2_665 3_565 120.9(5) ?
C1 Cu1 Ag2 3_565 3_565 56.1(4) ?
C1 Cu1 Ag2 . 3_565 108.4(5) ?
Ag9 Cu1 Ag2 . 3_565 78.36(5) ?
Ag9 Cu1 Ag2 3_565 3_565 87.94(5) ?
Ag9 Cu1 Ag2 2_665 3_565 146.13(12) ?
Ag2 Cu1 Ag2 2_665 3_565 70.15(8) ?
C1 Cu1 Ag2 2_665 . 108.4(5) ?
C1 Cu1 Ag2 3_565 . 120.9(4) ?
C1 Cu1 Ag2 . . 56.1(4) ?
Ag9 Cu1 Ag2 . . 87.94(5) ?
Ag9 Cu1 Ag2 3_565 . 146.13(12) ?
Ag9 Cu1 Ag2 2_665 . 78.36(5) ?
Ag2 Cu1 Ag2 2_665 . 70.15(8) ?
Ag2 Cu1 Ag2 3_565 . 70.14(8) ?
C11 Cu2 C21 . . 119.0(6) ?
C11 Cu2 C31 . . 118.9(6) ?
C21 Cu2 C31 . . 117.8(7) ?
C11 Cu2 Ag7 . . 58.8(4) ?
C21 Cu2 Ag7 . . 156.7(4) ?
C31 Cu2 Ag7 . . 60.1(5) ?
C11 Cu2 Ag8 . . 60.2(4) ?
C21 Cu2 Ag8 . . 58.9(5) ?
C31 Cu2 Ag8 . . 154.6(4) ?
Ag7 Cu2 Ag8 . . 111.82(8) ?
C11 Cu2 Ag6 . . 155.9(4) ?
C21 Cu2 Ag6 . . 59.6(5) ?
C31 Cu2 Ag6 . . 58.3(5) ?
Ag7 Cu2 Ag6 . . 111.90(8) ?
Ag8 Cu2 Ag6 . . 111.02(8) ?
C11 Cu2 Ag5 . . 120.3(4) ?
C21 Cu2 Ag5 . . 55.6(4) ?
C31 Cu2 Ag5 . . 109.1(4) ?
Ag7 Cu2 Ag5 . . 147.54(9) ?
Ag8 Cu2 Ag5 . . 89.72(7) ?
Ag6 Cu2 Ag5 . . 79.99(6) ?
C11 Cu2 Ag1 . . 108.0(4) ?
C21 Cu2 Ag1 . . 120.9(4) ?
C31 Cu2 Ag1 . . 56.6(4) ?
Ag7 Cu2 Ag1 . . 78.75(6) ?
Ag8 Cu2 Ag1 . . 148.65(9) ?
Ag6 Cu2 Ag1 . . 90.18(7) ?
Ag5 Cu2 Ag1 . . 70.89(6) ?
C11 Cu2 Ag4 . . 55.3(4) ?
C21 Cu2 Ag4 . . 108.6(5) ?
C31 Cu2 Ag4 . . 121.9(4) ?
Ag7 Cu2 Ag4 . . 89.18(7) ?
Ag8 Cu2 Ag4 . . 79.88(7) ?
Ag6 Cu2 Ag4 . . 148.51(9) ?
Ag5 Cu2 Ag4 . . 70.36(6) ?
Ag1 Cu2 Ag4 . . 70.59(6) ?
Ag9 Br1 Ag8 . 3_565 158.67(7) ?
Ag9 Br1 Ag4 . 3_565 120.77(6) ?
Ag8 Br1 Ag4 3_565 3_565 76.92(5) ?
Ag9 Br1 Ag2 . 3_565 76.75(5) ?
Ag8 Br1 Ag2 3_565 3_565 121.19(7) ?
Ag4 Br1 Ag2 3_565 3_565 78.31(5) ?
Ag7 Br2 Ag6 . 2_665 158.82(7) ?
Ag7 Br2 Ag5 . 2_665 121.08(7) ?
Ag6 Br2 Ag5 2_665 2_665 76.92(5) ?
Ag7 Br2 Ag1 . . 75.68(5) ?
Ag6 Br2 Ag1 2_665 . 121.66(7) ?
Ag5 Br2 Ag1 2_665 . 78.89(5) ?
C53 P1 C47 . . 105.3(8) ?
C53 P1 C41 . . 103.0(8) ?
C47 P1 C41 . . 105.5(7) ?
C53 P1 Ag9 . . 116.7(6) ?
C47 P1 Ag9 . . 111.2(5) ?
C41 P1 Ag9 . . 114.1(6) ?
C59 P2 C71 . . 105.3(9) ?
C59 P2 C65 . . 104.2(9) ?
C71 P2 C65 . . 106.4(8) ?
C59 P2 Ag6 . . 113.1(7) ?
C71 P2 Ag6 . . 112.8(6) ?
C65 P2 Ag6 . . 114.1(6) ?
C83 P3 C89 . . 103.6(9) ?
C83 P3 C77 . . 105.3(9) ?
C89 P3 C77 . . 105.0(8) ?
C83 P3 Ag7 . . 114.1(6) ?
C89 P3 Ag7 . . 115.2(7) ?
C77 P3 Ag7 . . 112.6(6) ?
C101 P4 C95 . . 105.8(9) ?
C101 P4 C107 . . 104.6(9) ?
C95 P4 C107 . . 105.2(8) ?
C101 P4 Ag8 . . 112.7(6) ?
C95 P4 Ag8 . . 112.1(6) ?
C107 P4 Ag8 . . 115.7(6) ?
C119 P5 C113 . . 102.6(9) ?
C119 P5 C125 . . 102.0(8) ?
C113 P5 C125 . . 105.8(9) ?
C119 P5 Ag10 . . 121.0(6) ?
C113 P5 Ag10 . . 112.5(5) ?
C125 P5 Ag10 . . 111.5(6) ?
C2 C1 Cu1 . . 169.6(15) ?
C2 C1 Ag9 . . 96.1(12) ?
Cu1 C1 Ag9 . . 76.2(5) ?
C2 C1 Ag2 . . 96.4(12) ?
Cu1 C1 Ag2 . . 79.7(5) ?
Ag9 C1 Ag2 . . 108.1(6) ?
C2 C1 Ag9 . 2_665 115.8(12) ?
Cu1 C1 Ag9 . 2_665 74.1(5) ?
Ag9 C1 Ag9 . 2_665 139.8(7) ?
Ag2 C1 Ag9 . 2_665 92.6(5) ?
C1 C2 C3 . . 171.9(19) ?
C8 C3 C4 . . 121.9(17) ?
C8 C3 C2 . . 121.8(17) ?
C4 C3 C2 . . 116.1(17) ?
C5 C4 C3 . . 118.(2) ?
C5 C4 H4 . . 121.2 ?
C3 C4 H4 . . 121.2 ?
C4 C5 C6 . . 120.(3) ?
C4 C5 H5 . . 119.9 ?
C6 C5 H5 . . 119.9 ?
C7 C6 C5 . . 122.3(19) ?
C7 C6 H6 . . 118.9 ?
C5 C6 H6 . . 118.9 ?
C6 C7 C8 . . 114.(2) ?
C6 C7 H7 . . 123.1 ?
C8 C7 H7 . . 123.1 ?
C3 C8 C7 . . 123.(2) ?
C3 C8 H8 . . 118.3 ?
C7 C8 H8 . . 118.3 ?
C12 C11 Cu2 . . 169.1(13) ?
C12 C11 Ag4 . . 94.2(11) ?
Cu2 C11 Ag4 . . 81.5(6) ?
C12 C11 Ag7 . . 96.2(12) ?
Cu2 C11 Ag7 . . 76.1(5) ?
Ag4 C11 Ag7 . . 110.3(6) ?
C12 C11 Ag8 . . 115.6(12) ?
Cu2 C11 Ag8 . . 75.0(5) ?
Ag4 C11 Ag8 . . 96.0(6) ?
Ag7 C11 Ag8 . . 137.0(6) ?
C11 C12 C13 . . 175.7(19) ?
C18 C13 C14 . . 117.7(19) ?
C18 C13 C12 . . 121.5(19) ?
C14 C13 C12 . . 120.7(19) ?
C15 C14 C13 . . 121.(2) ?
C15 C14 H14 . . 119.7 ?
C13 C14 H14 . . 119.7 ?
C14 C15 C16 . . 120.(3) ?
C14 C15 H15 . . 119.8 ?
C16 C15 H15 . . 119.8 ?
C17 C16 C15 . . 117.(2) ?
C17 C16 H16 . . 121.3 ?
C15 C16 H16 . . 121.3 ?
C18 C17 C16 . . 123.(2) ?
C18 C17 H17 . . 118.6 ?
C16 C17 H17 . . 118.6 ?
C17 C18 C13 . . 121.(2) ?
C17 C18 H18 . . 119.6 ?
C13 C18 H18 . . 119.6 ?
C22 C21 Cu2 . . 167.5(15) ?
C22 C21 Ag5 . . 95.5(11) ?
Cu2 C21 Ag5 . . 80.5(5) ?
C22 C21 Ag8 . . 95.1(12) ?
Cu2 C21 Ag8 . . 75.5(5) ?
Ag5 C21 Ag8 . . 110.2(6) ?
C22 C21 Ag6 . . 117.3(12) ?
Cu2 C21 Ag6 . . 75.0(5) ?
Ag5 C21 Ag6 . . 96.2(6) ?
Ag8 C21 Ag6 . . 136.0(7) ?
C21 C22 C23 . . 173.8(19) ?
C24 C23 C22 . . 122.(2) ?
C24 C23 C28 . . 120.1(18) ?
C22 C23 C28 . . 117.4(18) ?
C23 C24 C25 . . 121.(2) ?
C23 C24 H24 . . 119.5 ?
C25 C24 H24 . . 119.5 ?
C26 C25 C24 . . 119.(2) ?
C26 C25 H25 . . 120.7 ?
C24 C25 H25 . . 120.7 ?
C25 C26 C27 . . 122.3(19) ?
C25 C26 H26 . . 118.8 ?
C27 C26 H26 . . 118.8 ?
C28 C27 C26 . . 121.(2) ?
C28 C27 H27 . . 119.5 ?
C26 C27 H27 . . 119.5 ?
C27 C28 C23 . . 117.(2) ?
C27 C28 H28 . . 121.7 ?
C23 C28 H28 . . 121.7 ?
C32 C31 Cu2 . . 170.4(15) ?
C32 C31 Ag6 . . 99.4(13) ?
Cu2 C31 Ag6 . . 75.7(5) ?
C32 C31 Ag1 . . 95.0(11) ?
Cu2 C31 Ag1 . . 79.3(5) ?
Ag6 C31 Ag1 . . 110.3(6) ?
C32 C31 Ag7 . . 114.0(14) ?
Cu2 C31 Ag7 . . 74.2(5) ?
Ag6 C31 Ag7 . . 137.3(6) ?
Ag1 C31 Ag7 . . 93.0(6) ?
C31 C32 C33 . . 177.(2) ?
C34 C33 C38 . . 121.3(19) ?
C34 C33 C32 . . 117.9(17) ?
C38 C33 C32 . . 120.6(19) ?
C33 C34 C35 . . 117.(2) ?
C33 C34 H34 . . 121.4 ?
C35 C34 H34 . . 121.4 ?
C36 C35 C34 . . 119.(2) ?
C36 C35 H35 . . 120.3 ?
C34 C35 H35 . . 120.3 ?
C37 C36 C35 . . 125.(2) ?
C37 C36 H36 . . 117.6 ?
C35 C36 H36 . . 117.6 ?
C36 C37 C38 . . 117.(2) ?
C36 C37 H37 . . 121.7 ?
C38 C37 H37 . . 121.7 ?
C37 C38 C33 . . 121.(2) ?
C37 C38 H38 . . 119.7 ?
C33 C38 H38 . . 119.7 ?
C42 C41 C46 . . 121.8(16) ?
C42 C41 P1 . . 122.5(14) ?
C46 C41 P1 . . 115.7(12) ?
C41 C42 C43 . . 119.2(19) ?
C41 C42 H42 . . 120.4 ?
C43 C42 H42 . . 120.4 ?
C44 C43 C42 . . 120.0(19) ?
C44 C43 H43 . . 120.0 ?
C42 C43 H43 . . 120.0 ?
C45 C44 C43 . . 121.1(19) ?
C45 C44 H44 . . 119.4 ?
C43 C44 H44 . . 119.4 ?
C44 C45 C46 . . 117.8(19) ?
C44 C45 H45 . . 121.1 ?
C46 C45 H45 . . 121.1 ?
C41 C46 C45 . . 119.8(15) ?
C41 C46 H46 . . 120.1 ?
C45 C46 H46 . . 120.1 ?
C48 C47 C52 . . 120.8(16) ?
C48 C47 P1 . . 124.5(13) ?
C52 C47 P1 . . 114.7(13) ?
C49 C48 C47 . . 119.7(17) ?
C49 C48 H48 . . 120.1 ?
C47 C48 H48 . . 120.1 ?
C48 C49 C50 . . 121.6(19) ?
C48 C49 H49 . . 119.2 ?
C50 C49 H49 . . 119.2 ?
C51 C50 C49 . . 118.2(18) ?
C51 C50 H50 . . 120.9 ?
C49 C50 H50 . . 120.9 ?
C50 C51 C52 . . 123.3(19) ?
C50 C51 H51 . . 118.4 ?
C52 C51 H51 . . 118.4 ?
C47 C52 C51 . . 116.2(18) ?
C47 C52 H52 . . 121.9 ?
C51 C52 H52 . . 121.9 ?
C58 C53 C54 . . 117.2(16) ?
C58 C53 P1 . . 125.6(15) ?
C54 C53 P1 . . 117.1(13) ?
C55 C54 C53 . . 120.1(18) ?
C55 C54 H54 . . 120.0 ?
C53 C54 H54 . . 120.0 ?
C54 C55 C56 . . 120.(2) ?
C54 C55 H55 . . 120.0 ?
C56 C55 H55 . . 120.0 ?
C57 C56 C55 . . 122.(2) ?
C57 C56 H56 . . 118.9 ?
C55 C56 H56 . . 118.9 ?
C56 C57 C58 . . 120.(2) ?
C56 C57 H57 . . 120.2 ?
C58 C57 H57 . . 120.2 ?
C53 C58 C57 . . 121.(2) ?
C53 C58 H58 . . 119.6 ?
C57 C58 H58 . . 119.6 ?
C60 C59 C64 . . 120.5(19) ?
C60 C59 P2 . . 121.0(17) ?
C64 C59 P2 . . 118.2(14) ?
C59 C60 C61 . . 118.(2) ?
C59 C60 H60 . . 121.2 ?
C61 C60 H60 . . 121.2 ?
C62 C61 C60 . . 118.(2) ?
C62 C61 H61 . . 121.0 ?
C60 C61 H61 . . 121.0 ?
C63 C62 C61 . . 122.(2) ?
C63 C62 H62 . . 119.0 ?
C61 C62 H62 . . 119.0 ?
C62 C63 C64 . . 120.(2) ?
C62 C63 H63 . . 120.0 ?
C64 C63 H63 . . 120.0 ?
C63 C64 C59 . . 121.1(19) ?
C63 C64 H64 . . 119.5 ?
C59 C64 H64 . . 119.5 ?
C66 C65 C70 . . 117.1(19) ?
C66 C65 P2 . . 120.4(14) ?
C70 C65 P2 . . 122.4(16) ?
C67 C66 C65 . . 125.0(17) ?
C67 C66 H66 . . 117.5 ?
C65 C66 H66 . . 117.5 ?
C66 C67 C68 . . 118.3(19) ?
C66 C67 H67 . . 120.8 ?
C68 C67 H67 . . 120.8 ?
C67 C68 C69 . . 120.(2) ?
C67 C68 H68 . . 119.8 ?
C69 C68 H68 . . 119.8 ?
C68 C69 C70 . . 118.(2) ?
C68 C69 H69 . . 120.9 ?
C70 C69 H69 . . 120.9 ?
C65 C70 C69 . . 121.(2) ?
C65 C70 H70 . . 119.7 ?
C69 C70 H70 . . 119.7 ?
C76 C71 C72 . . 116.3(19) ?
C76 C71 P2 . . 123.0(16) ?
C72 C71 P2 . . 120.6(14) ?
C73 C72 C71 . . 122.(2) ?
C73 C72 H72 . . 119.1 ?
C71 C72 H72 . . 119.1 ?
C72 C73 C74 . . 120.(2) ?
C72 C73 H73 . . 120.2 ?
C74 C73 H73 . . 120.2 ?
C75 C74 C73 . . 125.(2) ?
C75 C74 H74 . . 117.3 ?
C73 C74 H74 . . 117.3 ?
C74 C75 C76 . . 114.(2) ?
C74 C75 H75 . . 122.9 ?
C76 C75 H75 . . 122.9 ?
C71 C76 C75 . . 122.(2) ?
C71 C76 H76 . . 118.8 ?
C75 C76 H76 . . 118.8 ?
C82 C77 C78 . . 116.2(18) ?
C82 C77 P3 . . 122.4(14) ?
C78 C77 P3 . . 121.3(14) ?
C79 C78 C77 . . 120.(2) ?
C79 C78 H78 . . 120.1 ?
C77 C78 H78 . . 120.1 ?
C78 C79 C80 . . 124.(2) ?
C78 C79 H79 . . 118.2 ?
C80 C79 H79 . . 118.2 ?
C81 C80 C79 . . 120.(2) ?
C81 C80 H80 . . 120.2 ?
C79 C80 H80 . . 120.2 ?
C80 C81 C82 . . 119.(2) ?
C80 C81 H81 . . 120.6 ?
C82 C81 H81 . . 120.6 ?
C81 C82 C77 . . 122.(2) ?
C81 C82 H82 . . 118.9 ?
C77 C82 H82 . . 118.9 ?
C88 C83 C84 . . 117.7(17) ?
C88 C83 P3 . . 117.8(15) ?
C84 C83 P3 . . 124.4(15) ?
C85 C84 C83 . . 120.(2) ?
C85 C84 H84 . . 119.9 ?
C83 C84 H84 . . 119.9 ?
C84 C85 C86 . . 123.(2) ?
C84 C85 H85 . . 118.3 ?
C86 C85 H85 . . 118.3 ?
C85 C86 C87 . . 118.(2) ?
C85 C86 H86 . . 120.8 ?
C87 C86 H86 . . 120.8 ?
C86 C87 C88 . . 120.(2) ?
C86 C87 H87 . . 120.2 ?
C88 C87 H87 . . 120.2 ?
C83 C88 C87 . . 120.4(18) ?
C83 C88 H88 . . 119.8 ?
C87 C88 H88 . . 119.8 ?
C94 C89 C90 . . 116.6(18) ?
C94 C89 P3 . . 119.8(15) ?
C90 C89 P3 . . 123.1(17) ?
C91 C90 C89 . . 120.(2) ?
C91 C90 H90 . . 119.8 ?
C89 C90 H90 . . 119.8 ?
C90 C91 C92 . . 121.(3) ?
C90 C91 H91 . . 119.6 ?
C92 C91 H91 . . 119.6 ?
C93 C92 C91 . . 115.(2) ?
C93 C92 H92 . . 122.4 ?
C91 C92 H92 . . 122.4 ?
C94 C93 C92 . . 126.(2) ?
C94 C93 H93 . . 116.9 ?
C92 C93 H93 . . 116.9 ?
C93 C94 C89 . . 120.(2) ?
C93 C94 H94 . . 120.1 ?
C89 C94 H94 . . 120.1 ?
C100 C95 C96 . . 117.2(16) ?
C100 C95 P4 . . 120.5(14) ?
C96 C95 P4 . . 122.2(14) ?
C97 C96 C95 . . 121.(2) ?
C97 C96 H96 . . 119.6 ?
C95 C96 H96 . . 119.6 ?
C96 C97 C98 . . 116.(2) ?
C96 C97 H97 . . 121.9 ?
C98 C97 H97 . . 121.9 ?
C99 C98 C97 . . 123.(2) ?
C99 C98 H98 . . 118.7 ?
C97 C98 H98 . . 118.7 ?
C100 C99 C98 . . 118.(3) ?
C100 C99 H99 . . 120.8 ?
C98 C99 H99 . . 120.8 ?
C99 C100 C95 . . 125.(2) ?
C99 C100 H100 . . 117.7 ?
C95 C100 H100 . . 117.7 ?
C102 C101 C106 . . 117.1(16) ?
C102 C101 P4 . . 118.3(13) ?
C106 C101 P4 . . 124.6(14) ?
C103 C102 C101 . . 122.5(18) ?
C103 C102 H102 . . 118.8 ?
C101 C102 H102 . . 118.8 ?
C102 C103 C104 . . 118.(2) ?
C102 C103 H103 . . 121.0 ?
C104 C103 H103 . . 121.0 ?
C105 C104 C103 . . 123.(2) ?
C105 C104 H104 . . 118.4 ?
C103 C104 H104 . . 118.4 ?
C104 C105 C106 . . 120.(2) ?
C104 C105 H105 . . 120.1 ?
C106 C105 H105 . . 120.1 ?
C105 C106 C101 . . 119.2(18) ?
C105 C106 H106 . . 120.4 ?
C101 C106 H106 . . 120.4 ?
C112 C107 C108 . . 115.2(18) ?
C112 C107 P4 . . 125.4(17) ?
C108 C107 P4 . . 119.3(15) ?
C109 C108 C107 . . 123.4(19) ?
C109 C108 H108 . . 118.3 ?
C107 C108 H108 . . 118.3 ?
C110 C109 C108 . . 119.(2) ?
C110 C109 H109 . . 120.7 ?
C108 C109 H109 . . 120.7 ?
C111 C110 C109 . . 120.(2) ?
C111 C110 H110 . . 120.1 ?
C109 C110 H110 . . 120.1 ?
C110 C111 C112 . . 122.(2) ?
C110 C111 H111 . . 119.1 ?
C112 C111 H111 . . 119.1 ?
C111 C112 C107 . . 121.(2) ?
C111 C112 H112 . . 119.5 ?
C107 C112 H112 . . 119.5 ?
C114 C113 C118 . . 118.7(17) ?
C114 C113 P5 . . 118.4(14) ?
C118 C113 P5 . . 122.1(14) ?
C113 C114 C115 . . 121.4(19) ?
C113 C114 H114 . . 119.3 ?
C115 C114 H114 . . 119.3 ?
C116 C115 C114 . . 120.3(19) ?
C116 C115 H115 . . 119.8 ?
C114 C115 H115 . . 119.8 ?
C115 C116 C117 . . 115.8(17) ?
C115 C116 H116 . . 122.1 ?
C117 C116 H116 . . 122.1 ?
C118 C117 C116 . . 125.(2) ?
C118 C117 H117 . . 117.3 ?
C116 C117 H117 . . 117.3 ?
C117 C118 C113 . . 118.1(19) ?
C117 C118 H118 . . 120.9 ?
C113 C118 H118 . . 120.9 ?
C120 C119 C124 . . 114.0(18) ?
C120 C119 P5 . . 126.6(16) ?
C124 C119 P5 . . 119.2(14) ?
C119 C120 C121 . . 120.(3) ?
C119 C120 H120 . . 120.1 ?
C121 C120 H120 . . 120.1 ?
C122 C121 C120 . . 122.(3) ?
C122 C121 H121 . . 119.0 ?
C120 C121 H121 . . 119.0 ?
C121 C122 C123 . . 122.(2) ?
C121 C122 H122 . . 119.2 ?
C123 C122 H122 . . 119.2 ?
C122 C123 C124 . . 117.(2) ?
C122 C123 H123 . . 121.5 ?
C124 C123 H123 . . 121.5 ?
C123 C124 C119 . . 126.(2) ?
C123 C124 H124 . . 117.2 ?
C119 C124 H124 . . 117.2 ?
C130 C125 C126 . . 119.2(15) ?
C130 C125 P5 . . 117.2(12) ?
C126 C125 P5 . . 123.4(14) ?
C127 C126 C125 . . 117.9(19) ?
C127 C126 H126 . . 121.1 ?
C125 C126 H126 . . 121.1 ?
C126 C127 C128 . . 122.(2) ?
C126 C127 H127 . . 119.2 ?
C128 C127 H127 . . 119.2 ?
C127 C128 C129 . . 123.(2) ?
C127 C128 H128 . . 118.5 ?
C129 C128 H128 . . 118.5 ?
C130 C129 C128 . . 117.(2) ?
C130 C129 H129 . . 121.7 ?
C128 C129 H129 . . 121.7 ?
C129 C130 C125 . . 121.7(18) ?
C129 C130 H130 . . 119.1 ?
C125 C130 H130 . . 119.1 ?
F1 P6 F1 3_565 . 90.0(13) ?
F1 P6 F1 3_565 2_665 90.0(13) ?
F1 P6 F1 . 2_665 90.0(13) ?
F1 P6 F2 3_565 3_565 164.0(18) ?
F1 P6 F2 . 3_565 79.9(14) ?
F1 P6 F2 2_665 3_565 102.2(17) ?
F1 P6 F2 3_565 . 102.2(17) ?
F1 P6 F2 . . 164.0(19) ?
F1 P6 F2 2_665 . 79.9(15) ?
F2 P6 F2 3_565 . 90.1(14) ?
F1 P6 F2 3_565 2_665 79.9(15) ?
F1 P6 F2 . 2_665 102.2(17) ?
F1 P6 F2 2_665 2_665 164.0(18) ?
F2 P6 F2 3_565 2_665 90.1(14) ?
F2 P6 F2 . 2_665 90.1(14) ?


# SQUEEZE RESULTS (Version = 130220)
# 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 0.333 -0.333 0.138 2233 896 ' '
2 1.000 0.000 0.471 2236 895 ' '
3 0.667 0.333 0.805 2251 896 ' '
4 0.773 0.159 0.971 7 0 ' '
5 0.386 0.227 0.971 7 1 ' '
6 0.174 0.280 0.638 7 1 ' '
7 0.439 0.492 0.304 7 1 ' '
8 0.053 0.561 0.304 7 1 ' '
9 0.841 0.614 0.971 7 0 ' '
10 0.106 0.826 0.638 6 0 ' '
11 0.720 0.894 0.638 7 1 ' '
12 0.508 0.947 0.304 7 1 ' '
_platon_squeeze_void_probe_radius 1.20
_platon_squeeze_details          ?

# start Validation Reply Form
_vrf_PLAT992_20190624_mikami391  
;
PROBLEM: Repd & Actual _reflns_number_gt Values Differ by        128 Check 
RESPONSE: : CALC FCF-SQ prcess of the platon added 128 refrcs to 20630 reflcs.
;
_vrf_PLAT332_20190624_mikami391  
;
PROBLEM: Large Phenyl C-C Range     C119      -C124     .       0.26 Ang.  
RESPONSE: Due to the disorder.
;
_vrf_PLAT342_20190624_mikami391  
;
PROBLEM: Low Bond Precision on  C-C Bonds ...............     0.0276 Ang.  
RESPONSE: Due to the disorder.
;
_vrf_PLAT934_20190624_mikami391  
;
PROBLEM: Number of (Iobs-Icalc)/Sigma(W) > 10 Outliers ..          3 Check 
RESPONSE: Unknown origin, but the number is limited.
;
_vrf_PLAT990_20190624_mikami391  
;
PROBLEM: Deprecated .res/.hkl Input Style SQUEEZE Job ...          ! Note  
RESPONSE: Since present system can not use the SHELXL20xy. 
;
# end Validation Reply Form

#
# h,k,l, Fc-squared, Fo-squared, sigma(Fo-squared) and status flag
#

_shelx_title                     
' 20191012_mikami427_a.res in R3                     '
_shelx_refln_list_code           4
_shelx_F_calc_maximum            2526.27
#_exptl_crystal_F_000   13074.00
_reflns_d_resolution_high        0.7709

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

#_cell_length_a 26.41800
#_cell_length_b  26.4180
#_cell_length_c  47.8720
#_cell_angle_alpha   90.000
#_cell_angle_beta   90.000
#_cell_angle_gamma  120.000

_shelx_F_squared_multiplier      1.000



####################################################################### 
# 
# 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_20180723_mikamiAgCu2
_database_code_depnum_ccdc_archive 'CCDC 2056415'
loop_
_audit_author_name
_audit_author_address
'Tsutomu Mizuta'
;Graduate School of Advanced Science and Engineering, Hiroshima University
Japan
;
_audit_update_record             
;
2021-01-15 deposited with the CCDC.	2021-03-15 downloaded from the CCDC.
;
_chemical_name_systematic        ?
_chemical_name_common            20180728_mikami_R3c
_chemical_formula_moiety         ?
_chemical_formula_sum            'C966 H768 Ag36 B12 Cl72 Cu12 F48 P36'
_chemical_formula_iupac          ?
_chemical_formula_weight         21730.60

_chemical_melting_point          ?

_space_group_crystal_system      trigonal
_space_group_name_H-M_alt        'R -3 c'
_space_group_name_Hall           '-R 3 2"c'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'y, x, -z+1/2'
'x-y, -y, -z+1/2'
'-x, -x+y, -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'
'y+2/3, x+1/3, -z+5/6'
'x-y+2/3, -y+1/3, -z+5/6'
'-x+2/3, -x+y+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'
'y+1/3, x+2/3, -z+7/6'
'x-y+1/3, -y+2/3, -z+7/6'
'-x+1/3, -x+y+2/3, -z+7/6'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-y, -x, z-1/2'
'-x+y, y, z-1/2'
'x, x-y, 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'
'-y+2/3, -x+1/3, z-1/6'
'-x+y+2/3, y+1/3, z-1/6'
'x+2/3, x-y+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'
'-y+1/3, -x+2/3, z+1/6'
'-x+y+1/3, y+2/3, z+1/6'
'x+1/3, x-y+2/3, z+1/6'

_cell_length_a                   19.005(8)
_cell_length_b                   19.005
_cell_length_c                   70.25(3)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     21970.(20)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    618
_cell_measurement_theta_min      2.7370
_cell_measurement_theta_max      27.2430
_cell_measurement_temperature    173.0(2)

_exptl_crystal_description       block
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_size_max          0.180
_exptl_crystal_size_mid          0.140
_exptl_crystal_size_min          0.080
_exptl_crystal_density_diffrn    1.642
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             10860

_exptl_absorpt_coefficient_mu    1.416
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'SADABS V2012/1 (Bruker AXS Inc.)'
_exptl_absorpt_correction_T_min  0.79
_exptl_absorpt_correction_T_max  0.90

_exptl_special_details           
;
;

_diffrn_ambient_temperature      173.0(2)

_diffrn_source                   'rotating-anode X-ray tube'
_diffrn_source_type              'Bruker Turbo X-ray Source'

_diffrn_radiation_type           MoKa
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  'multilayered conforcal mirror'

_diffrn_measurement_device_type  'Bruker D8 goniometer'
_diffrn_measurement_method       'omega scans'

_diffrn_detector_area_resol_mean ?

_diffrn_reflns_number            39718
_diffrn_reflns_av_R_equivalents  0.0282
_diffrn_reflns_av_unetI/netI     0.0171
_diffrn_reflns_theta_min         1.70
_diffrn_reflns_theta_max         27.26
_diffrn_reflns_theta_full        27.26
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_l_min       -90
_diffrn_reflns_limit_l_max       90

_refine_special_details          
;

Refined as a 2-component inversion twin.
;

_reflns_number_total             5491
_reflns_number_gt                4760
_reflns_threshold_expression     'I > 2σ(I)'

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_R_factor_all          0.0502
_refine_ls_R_factor_gt           0.0419
_refine_ls_wR_factor_gt          0.1147
_refine_ls_wR_factor_ref         0.1237
_refine_ls_goodness_of_fit_ref   1.060
_refine_ls_restrained_S_all      1.060
_refine_ls_number_reflns         5491
_refine_ls_number_parameters     297
_refine_ls_number_restraints     0
_refine_ls_number_constraints    ?
_refine_ls_hydrogen_treatment    constr
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0676P)²+141.3766P] where P=(Fo²+2Fc²)/3'

_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap

_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         0.979
_refine_diff_density_min         -1.473
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_computing_data_collection       'APEX2(Bruker AXS)'
_computing_cell_refinement       'SAINT V8.34A (Bruker AXS Inc., 2013)'
_computing_data_reduction        'SAINT V8.34A (Bruker AXS Inc., 2013)'
_computing_structure_solution    ?
_computing_structure_refinement  ?
_computing_molecular_graphics    'XSHELL V6.3.1(Bruker AXS)'
_computing_publication_material  'Generate Report (Bruker AXS)'

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_refinement_flags_posn
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag Ag1 0.45252(2) 0.62699(2) 0.67827(2) 0.03162(11) Uani d . . . 1 . .
Cu Cu1 0.333333 0.666667 0.64614(2) 0.02266(15) Uani d T P S 1 . .
P P1 0.52897(5) 0.59794(5) 0.70148(2) 0.02900(19) Uani d . . . 1 . .
C C1 0.4211(2) 0.63811(19) 0.64535(5) 0.0269(6) Uani d . . . 1 . .
C C2 0.4693(2) 0.6147(2) 0.64244(5) 0.0306(7) Uani d . . . 1 . .
C C3 0.5221(2) 0.5861(2) 0.63527(5) 0.0349(8) Uani d . . . 1 . .
C C4 0.5328(3) 0.5854(3) 0.61539(6) 0.0477(10) Uani d . . . 1 . .
H H4 0.507084 0.605116 0.607069 0.057 Uiso calc U . R 1 . .
C C5 0.5806(3) 0.5562(4) 0.60804(8) 0.0714(16) Uani d . . . 1 . .
H H5 0.588876 0.55736 0.594684 0.086 Uiso calc U . R 1 . .
C C6 0.6169(3) 0.5249(4) 0.62003(9) 0.0716(16) Uani d . . . 1 . .
H H6 0.647621 0.502686 0.614783 0.086 Uiso calc U . R 1 . .
C C7 0.6082(3) 0.5263(3) 0.63952(8) 0.0577(12) Uani d . . . 1 . .
H H7 0.634212 0.506585 0.647704 0.069 Uiso calc U . R 1 . .
C C8 0.5612(2) 0.5566(3) 0.64711(7) 0.0447(9) Uani d . . . 1 . .
H H8 0.555354 0.557461 0.660528 0.054 Uiso calc U . R 1 . .
C C9 0.6367(2) 0.6353(2) 0.69673(5) 0.0337(7) Uani d . . . 1 . .
C C10 0.6895(2) 0.7183(3) 0.69509(6) 0.0440(9) Uani d . . . 1 . .
H H10 0.669491 0.754829 0.696601 0.053 Uiso calc U . R 1 . .
C C11 0.7717(3) 0.7487(3) 0.69126(7) 0.0562(12) Uani d . . . 1 . .
H H11 0.807632 0.805668 0.690501 0.067 Uiso calc U . R 1 . .
C C12 0.8009(3) 0.6960(4) 0.68857(7) 0.0565(12) Uani d . . . 1 . .
H H00P 0.856997 0.716627 0.686092 0.068 Uiso calc U . R 1 . .
C C13 0.7483(3) 0.6131(3) 0.68950(7) 0.0528(11) Uani d . . . 1 . .
H H12 0.76822 0.576884 0.687187 0.063 Uiso calc U . R 1 . .
C C14 0.6664(3) 0.5821(3) 0.69380(6) 0.0410(9) Uani d . . . 1 . .
H H13 0.630898 0.525053 0.694721 0.049 Uiso calc U . R 1 . .
C C15 0.4856(2) 0.4897(2) 0.70641(5) 0.0316(7) Uani d . . . 1 . .
C C16 0.4946(3) 0.4618(2) 0.72411(6) 0.0414(9) Uani d . . . 1 . .
H H15 0.524861 0.499535 0.733863 0.05 Uiso calc U . R 1 . .
C C17 0.4591(3) 0.3786(3) 0.72754(7) 0.0513(11) Uani d . . . 1 . .
H H16 0.464793 0.359967 0.739682 0.062 Uiso calc U . R 1 . .
C C18 0.4163(3) 0.3236(3) 0.71352(7) 0.0523(11) Uani d . . . 1 . .
H H17 0.391288 0.267069 0.716097 0.063 Uiso calc U . R 1 . .
C C19 0.4092(3) 0.3499(3) 0.69559(7) 0.0483(10) Uani d . . . 1 . .
H H18 0.381775 0.31154 0.685727 0.058 Uiso calc U . R 1 . .
C C20 0.4424(2) 0.4329(2) 0.69204(6) 0.0379(8) Uani d . . . 1 . .
H H19 0.435779 0.450926 0.679907 0.046 Uiso calc U . R 1 . .
C C21 0.5256(2) 0.6401(2) 0.72474(5) 0.0313(7) Uani d . . . 1 . .
C C22 0.4490(2) 0.6249(3) 0.73083(6) 0.0408(9) Uani d . . . 1 . .
H H21 0.402904 0.596246 0.722845 0.049 Uiso calc U . R 1 . .
C C23 0.4409(3) 0.6522(3) 0.74865(6) 0.0495(10) Uani d . . . 1 . .
H H22 0.388744 0.640271 0.752969 0.059 Uiso calc U . R 1 . .
C C24 0.5079(3) 0.6962(3) 0.76008(6) 0.0493(10) Uani d . . . 1 . .
H H23 0.501875 0.715235 0.77213 0.059 Uiso calc U . R 1 . .
C C25 0.5836(3) 0.7127(3) 0.75404(6) 0.0501(10) Uani d . . . 1 . .
H H24 0.629784 0.743613 0.761885 0.06 Uiso calc U . R 1 . .
C C26 0.5928(2) 0.6841(2) 0.73647(6) 0.0397(8) Uani d . . . 1 . .
H H25 0.644935 0.694652 0.732478 0.048 Uiso calc U . R 1 . .
B B1 0.666667 0.333333 0.63515(15) 0.057(2) Uani d T P S 1 . .
F F1 0.5902(2) 0.2927(3) 0.64193(7) 0.1202(16) Uani d . . . 1 . .
F F2 0.666667 0.333333 0.61568(11) 0.145(4) Uani d T P S 1 . .
C C27 0.666667 0.333333 0.68481(19) 0.091(3) Uani d T P S 1 . .
H H27 0.666669 0.333332 0.67058 0.109 Uiso calc U P R 1 . .
Cl Cl1 0.46647(18) 0.2664(2) 0.59616(4) 0.1555(12) Uani d . . . 1 . .
C C28 0.5455(6) 0.333333 0.583333 0.141(6) Uani d T P S 1 . .
H H28A 0.591686 0.363982 0.592115 0.169 Uiso calc U P R 0.5 . .
H H28B 0.561039 0.302685 0.574552 0.169 Uiso calc U P R 0.5 . .
Cl Cl2 0.5962(3) 0.3486(3) 0.69661(8) 0.245(3) Uani d . . . 1 . .


_geom_special_details            
;

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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Ag1 C1 . 2.423(3) ?
Ag1 P1 . 2.4242(11) ?
Ag1 C1 26_456 2.526(3) ?
Ag1 C1 27_556 2.543(3) ?
Ag1 C2 . 2.563(4) ?
Ag1 Cu1 25_566 2.7933(10) ?
Ag1 Ag1 26_456 3.1724(9) ?
Ag1 Ag1 27_556 3.1724(5) ?
Cu1 C1 . 1.997(3) ?
Cu1 C1 2_665 1.997(3) ?
Cu1 C1 3_565 1.997(4) ?
Cu1 Cu1 25_566 2.8843(17) ?
P1 C15 . 1.826(4) ?
P1 C9 . 1.832(4) ?
P1 C21 . 1.836(4) ?
C1 C2 . 1.220(5) ?
C2 C3 . 1.449(5) ?
C3 C8 . 1.405(6) ?
C3 C4 . 1.412(6) ?
C4 C5 . 1.380(6) ?
C4 H4 . 0.95 ?
C5 C6 . 1.396(9) ?
C5 H5 . 0.95 ?
C6 C7 . 1.381(8) ?
C6 H6 . 0.95 ?
C7 C8 . 1.389(6) ?
C7 H7 . 0.95 ?
C8 H8 . 0.95 ?
C9 C10 . 1.387(6) ?
C9 C14 . 1.398(5) ?
C10 C11 . 1.394(6) ?
C10 H10 . 0.95 ?
C11 C12 . 1.379(7) ?
C11 H11 . 0.95 ?
C12 C13 . 1.382(8) ?
C12 H00P . 0.95 ?
C13 C14 . 1.395(6) ?
C13 H12 . 0.95 ?
C14 H13 . 0.95 ?
C15 C16 . 1.396(5) ?
C15 C20 . 1.405(5) ?
C16 C17 . 1.395(6) ?
C16 H15 . 0.95 ?
C17 C18 . 1.369(7) ?
C17 H16 . 0.95 ?
C18 C19 . 1.387(7) ?
C18 H17 . 0.95 ?
C19 C20 . 1.398(6) ?
C19 H18 . 0.95 ?
C20 H19 . 0.95 ?
C21 C26 . 1.393(5) ?
C21 C22 . 1.401(5) ?
C22 C23 . 1.392(6) ?
C22 H21 . 0.95 ?
C23 C24 . 1.379(7) ?
C23 H22 . 0.95 ?
C24 C25 . 1.378(7) ?
C24 H23 . 0.95 ?
C25 C26 . 1.394(6) ?
C25 H24 . 0.95 ?
C26 H25 . 0.95 ?
B1 F1 . 1.346(6) ?
B1 F1 2_655 1.347(6) ?
B1 F1 3_665 1.347(6) ?
B1 F2 . 1.368(13) ?
C27 Cl2 2_655 1.718(7) ?
C27 Cl2 . 1.718(7) ?
C27 Cl2 3_665 1.719(7) ?
C27 H27 . 1.0 ?
Cl1 C28 . 1.666(7) ?
C28 H28A . 0.99 ?
C28 H28B . 0.99 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
C1 Ag1 P1 . . 149.70(8) ?
C1 Ag1 C1 . 26_456 93.26(13) ?
P1 Ag1 C1 . 26_456 107.86(8) ?
C1 Ag1 C1 . 27_556 92.84(14) ?
P1 Ag1 C1 . 27_556 109.69(8) ?
C1 Ag1 C1 26_456 27_556 85.98(15) ?
C1 Ag1 C2 . . 28.15(12) ?
P1 Ag1 C2 . . 121.57(9) ?
C1 Ag1 C2 26_456 . 111.47(11) ?
C1 Ag1 C2 27_556 . 114.44(11) ?
C1 Ag1 Cu1 . 25_566 85.55(8) ?
P1 Ag1 Cu1 . 25_566 124.73(3) ?
C1 Ag1 Cu1 26_456 25_566 43.73(8) ?
C1 Ag1 Cu1 27_556 25_566 43.63(8) ?
C2 Ag1 Cu1 . 25_566 113.59(8) ?
C1 Ag1 Ag1 . 26_456 51.99(8) ?
P1 Ag1 Ag1 . 26_456 130.37(3) ?
C1 Ag1 Ag1 26_456 26_456 48.74(8) ?
C1 Ag1 Ag1 27_556 26_456 110.61(8) ?
C2 Ag1 Ag1 . 26_456 63.11(8) ?
Cu1 Ag1 Ag1 25_566 26_456 72.38(3) ?
C1 Ag1 Ag1 . 27_556 51.58(8) ?
P1 Ag1 Ag1 . 27_556 132.69(3) ?
C1 Ag1 Ag1 26_456 27_556 110.76(8) ?
C1 Ag1 Ag1 27_556 27_556 48.66(8) ?
C2 Ag1 Ag1 . 27_556 66.50(8) ?
Cu1 Ag1 Ag1 25_566 27_556 72.381(13) ?
Ag1 Ag1 Ag1 26_456 27_556 95.975(17) ?
C1 Cu1 C1 . 2_665 119.925(15) ?
C1 Cu1 C1 . 3_565 119.92(3) ?
C1 Cu1 C1 2_665 3_565 119.924(17) ?
C1 Cu1 Ag1 . 26_456 61.51(9) ?
C1 Cu1 Ag1 2_665 26_456 168.61(10) ?
C1 Cu1 Ag1 3_565 26_456 61.01(9) ?
C1 Cu1 Ag1 . 27_556 61.01(10) ?
C1 Cu1 Ag1 2_665 27_556 61.51(9) ?
C1 Cu1 Ag1 3_565 27_556 168.61(10) ?
Ag1 Cu1 Ag1 26_456 27_556 115.113(15) ?
C1 Cu1 Ag1 . 25_566 168.60(10) ?
C1 Cu1 Ag1 2_665 25_566 61.01(9) ?
C1 Cu1 Ag1 3_565 25_566 61.51(9) ?
Ag1 Cu1 Ag1 26_456 25_566 115.109(15) ?
Ag1 Cu1 Ag1 27_556 25_566 115.11(3) ?
C1 Cu1 Cu1 . 25_566 91.59(9) ?
C1 Cu1 Cu1 2_665 25_566 91.59(9) ?
C1 Cu1 Cu1 3_565 25_566 91.59(9) ?
Ag1 Cu1 Cu1 26_456 25_566 77.025(15) ?
Ag1 Cu1 Cu1 27_556 25_566 77.024(15) ?
Ag1 Cu1 Cu1 25_566 25_566 77.020(16) ?
C15 P1 C9 . . 105.01(17) ?
C15 P1 C21 . . 103.17(16) ?
C9 P1 C21 . . 105.62(17) ?
C15 P1 Ag1 . . 113.57(12) ?
C9 P1 Ag1 . . 118.06(12) ?
C21 P1 Ag1 . . 110.11(12) ?
C2 C1 Cu1 . . 170.5(3) ?
C2 C1 Ag1 . . 82.3(2) ?
Cu1 C1 Ag1 . . 105.85(14) ?
C2 C1 Ag1 . 27_556 111.7(2) ?
Cu1 C1 Ag1 . 27_556 75.26(11) ?
Ag1 C1 Ag1 . 27_556 79.69(10) ?
C2 C1 Ag1 . 26_456 102.3(2) ?
Cu1 C1 Ag1 . 26_456 74.86(10) ?
Ag1 C1 Ag1 . 26_456 79.36(9) ?
Ag1 C1 Ag1 27_556 26_456 136.85(14) ?
C1 C2 C3 . . 169.2(4) ?
C1 C2 Ag1 . . 69.6(2) ?
C3 C2 Ag1 . . 121.1(3) ?
C8 C3 C4 . . 118.4(4) ?
C8 C3 C2 . . 123.1(4) ?
C4 C3 C2 . . 118.5(4) ?
C5 C4 C3 . . 120.0(5) ?
C5 C4 H4 . . 120.0 ?
C3 C4 H4 . . 120.0 ?
C4 C5 C6 . . 120.7(5) ?
C4 C5 H5 . . 119.6 ?
C6 C5 H5 . . 119.6 ?
C7 C6 C5 . . 120.0(4) ?
C7 C6 H6 . . 120.0 ?
C5 C6 H6 . . 120.0 ?
C6 C7 C8 . . 119.8(5) ?
C6 C7 H7 . . 120.1 ?
C8 C7 H7 . . 120.1 ?
C7 C8 C3 . . 121.0(4) ?
C7 C8 H8 . . 119.5 ?
C3 C8 H8 . . 119.5 ?
C10 C9 C14 . . 119.1(4) ?
C10 C9 P1 . . 119.3(3) ?
C14 C9 P1 . . 121.5(3) ?
C9 C10 C11 . . 120.7(4) ?
C9 C10 H10 . . 119.7 ?
C11 C10 H10 . . 119.7 ?
C12 C11 C10 . . 120.0(5) ?
C12 C11 H11 . . 120.0 ?
C10 C11 H11 . . 120.0 ?
C11 C12 C13 . . 119.8(4) ?
C11 C12 H00P . . 120.1 ?
C13 C12 H00P . . 120.1 ?
C12 C13 C14 . . 120.6(4) ?
C12 C13 H12 . . 119.7 ?
C14 C13 H12 . . 119.7 ?
C13 C14 C9 . . 119.7(4) ?
C13 C14 H13 . . 120.2 ?
C9 C14 H13 . . 120.2 ?
C16 C15 C20 . . 118.9(3) ?
C16 C15 P1 . . 121.7(3) ?
C20 C15 P1 . . 119.4(3) ?
C15 C16 C17 . . 120.2(4) ?
C15 C16 H15 . . 119.9 ?
C17 C16 H15 . . 119.9 ?
C18 C17 C16 . . 120.4(4) ?
C18 C17 H16 . . 119.8 ?
C16 C17 H16 . . 119.8 ?
C17 C18 C19 . . 120.4(4) ?
C17 C18 H17 . . 119.8 ?
C19 C18 H17 . . 119.8 ?
C18 C19 C20 . . 119.9(4) ?
C18 C19 H18 . . 120.1 ?
C20 C19 H18 . . 120.1 ?
C19 C20 C15 . . 120.0(4) ?
C19 C20 H19 . . 120.0 ?
C15 C20 H19 . . 120.0 ?
C26 C21 C22 . . 119.3(4) ?
C26 C21 P1 . . 124.5(3) ?
C22 C21 P1 . . 116.2(3) ?
C23 C22 C21 . . 119.6(4) ?
C23 C22 H21 . . 120.2 ?
C21 C22 H21 . . 120.2 ?
C24 C23 C22 . . 120.6(4) ?
C24 C23 H22 . . 119.7 ?
C22 C23 H22 . . 119.7 ?
C25 C24 C23 . . 120.1(4) ?
C25 C24 H23 . . 120.0 ?
C23 C24 H23 . . 120.0 ?
C24 C25 C26 . . 120.2(4) ?
C24 C25 H24 . . 119.9 ?
C26 C25 H24 . . 119.9 ?
C21 C26 C25 . . 120.1(4) ?
C21 C26 H25 . . 119.9 ?
C25 C26 H25 . . 119.9 ?
F1 B1 F1 . 2_655 108.2(5) ?
F1 B1 F1 . 3_665 108.2(5) ?
F1 B1 F1 2_655 3_665 108.2(5) ?
F1 B1 F2 . . 110.7(5) ?
F1 B1 F2 2_655 . 110.7(5) ?
F1 B1 F2 3_665 . 110.7(5) ?
Cl2 C27 Cl2 2_655 . 98.7(6) ?
Cl2 C27 Cl2 2_655 3_665 98.7(6) ?
Cl2 C27 Cl2 . 3_665 98.7(6) ?
Cl2 C27 H27 2_655 . 118.8 ?
Cl2 C27 H27 . . 118.8 ?
Cl2 C27 H27 3_665 . 118.8 ?
Cl1 C28 Cl1 17 . 117.5(7) ?
Cl1 C28 H28A 17 . 107.9 ?
Cl1 C28 H28A . . 107.9 ?
Cl1 C28 H28B 17 . 107.9 ?
Cl1 C28 H28B . . 107.9 ?
H28A C28 H28B . . 107.2 ?



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

data_20190208_359AgCu
_database_code_depnum_ccdc_archive 'CCDC 2056414'
loop_
_audit_author_name
_audit_author_address
'Tsutomu Mizuta'
;Graduate School of Advanced Science and Engineering, Hiroshima University
Japan
;
_audit_update_record             
;
2021-01-15 deposited with the CCDC.	2021-03-15 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT260_20190208_359AgCu    
;
PROBLEM: Large Average Ueq of Residue Including        F1      0.336 Check
RESPONSE: Due to disorder of the BF4 anion
;
# Added during the CSD deposition process: Friday 15 January 2021 01:47 AM
# end Validation Reply Form

_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C165 H138 Ag6 B2 Cl6 Cu2 F8 P6'
_chemical_formula_iupac          ?
_chemical_formula_weight         3467.19

_chemical_melting_point          ?

_space_group_crystal_system      trigonal
_space_group_name_H-M_alt        'R -3 c'
_space_group_name_Hall           '-R 3 2"c'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'y, x, -z+1/2'
'x-y, -y, -z+1/2'
'-x, -x+y, -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'
'y+2/3, x+1/3, -z+5/6'
'x-y+2/3, -y+1/3, -z+5/6'
'-x+2/3, -x+y+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'
'y+1/3, x+2/3, -z+7/6'
'x-y+1/3, -y+2/3, -z+7/6'
'-x+1/3, -x+y+2/3, -z+7/6'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-y, -x, z-1/2'
'-x+y, y, z-1/2'
'x, x-y, 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'
'-y+2/3, -x+1/3, z-1/6'
'-x+y+2/3, y+1/3, z-1/6'
'x+2/3, x-y+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'
'-y+1/3, -x+2/3, z+1/6'
'-x+y+1/3, y+2/3, z+1/6'
'x+1/3, x-y+2/3, z+1/6'

_cell_length_a                   19.0360
_cell_length_b                   19.0360
_cell_length_c                   71.2990
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     22375.1
_cell_formula_units_Z            6
_cell_measurement_reflns_used    4045
_cell_measurement_theta_min      2.1448
_cell_measurement_theta_max      28.7517
_cell_measurement_temperature    173.(2)

_exptl_crystal_description       block
_exptl_crystal_colour            'clear dark brown'
_exptl_crystal_size_max          0.280
_exptl_crystal_size_mid          0.260
_exptl_crystal_size_min          0.170
_exptl_crystal_density_diffrn    1.544
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             10452

_exptl_absorpt_coefficient_mu    1.283
_exptl_absorpt_correction_type   Multi-Scan
_exptl_absorpt_process_details   'SADABS V2012/1 (Bruker AXS Inc.)'
_exptl_absorpt_correction_T_min  0.69
_exptl_absorpt_correction_T_max  0.75

_exptl_special_details           
;
;

_diffrn_ambient_temperature      173.(2)

_diffrn_source                   'rotating-anode X-ray tube'
_diffrn_source_type              'Bruker Turbo X-ray Source'

_diffrn_radiation_type           MoKa
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  'multilayered conforcal mirror'

_diffrn_measurement_device_type  'Bruker D8 goniometer'
_diffrn_measurement_method       'omega scans'

_diffrn_detector_area_resol_mean 8.3333

_diffrn_reflns_number            40252
_diffrn_reflns_av_R_equivalents  0.0210
_diffrn_reflns_av_unetI/netI     0.0126
_diffrn_reflns_theta_min         1.68
_diffrn_reflns_theta_max         27.30
_diffrn_reflns_theta_full        27.30
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_l_min       -91
_diffrn_reflns_limit_l_max       62

_refine_special_details          
;
;

_reflns_number_total             5601
_reflns_number_gt                4845
_reflns_threshold_expression     'I > 2σ(I)'

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_R_factor_all          0.0552
_refine_ls_R_factor_gt           0.0451
_refine_ls_wR_factor_gt          0.1097
_refine_ls_wR_factor_ref         0.1224
_refine_ls_goodness_of_fit_ref   1.101
_refine_ls_restrained_S_all      1.118
_refine_ls_number_reflns         5601
_refine_ls_number_parameters     335
_refine_ls_number_restraints     38
_refine_ls_number_constraints    ?
_refine_ls_hydrogen_treatment    constr
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0490P)²+222.7870P] where P=(Fo²+2Fc²)/3'

_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap

_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         1.328
_refine_diff_density_min         -0.752
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_computing_data_collection       'APEX2(Bruker AXS)'
_computing_cell_refinement       'SAINT V8.34A (Bruker AXS Inc., 2013)'
_computing_data_reduction        'SAINT V8.34A (Bruker AXS Inc., 2013)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2017/1 (Sheldrick, 2017)'
_computing_molecular_graphics    'XSHELL V6.3.1(Bruker AXS)'
_computing_publication_material  'Generate Report (Bruker AXS)'

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_refinement_flags_posn
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag Ag1 0.45123(2) 0.62489(2) 0.67820(2) 0.03382(10) Uani d . . . 1 . .
Cu Cu1 0.333333 0.666667 0.64652(2) 0.02656(16) Uani d T P S 1 . .
C C1 0.4194(2) 0.6370(2) 0.64570(5) 0.0295(7) Uani d . . . 1 . .
C C2 0.4682(2) 0.6139(2) 0.64268(5) 0.0346(8) Uani d . . . 1 . .
C C3 0.5217(3) 0.5877(3) 0.63559(6) 0.0443(9) Uani d . . . 1 . .
C C4 0.5625(3) 0.5597(4) 0.64686(7) 0.0565(12) Uani d . . . 1 . .
H H4 0.554873 0.557509 0.660064 0.068 Uiso calc U . R 1 . .
C C5 0.6135(4) 0.5353(5) 0.63938(8) 0.0778(19) Uani d . . . 1 . .
H H5 0.639973 0.516001 0.647419 0.093 Uiso calc U . R 1 . .
C C6 0.6263(5) 0.5386(6) 0.62009(10) 0.091(2) Uani d U . . 1 . .
C C7 0.5862(5) 0.5657(6) 0.60881(8) 0.094(3) Uani d . . . 1 . .
H H7 0.594701 0.56829 0.595638 0.113 Uiso calc U . R 1 . .
C C8 0.5339(3) 0.5892(4) 0.61613(7) 0.0599(13) Uani d . . . 1 . .
H H8 0.50599 0.606384 0.607957 0.072 Uiso calc U . R 1 . .
C C9 0.6881(6) 0.5166(7) 0.61176(14) 0.134(3) Uani d U . . 1 . .
H H9A 0.675309 0.501854 0.598526 0.201 Uiso calc U . R 1 . .
H H9B 0.685095 0.470733 0.618681 0.201 Uiso calc U . R 1 . .
H H9C 0.742994 0.563471 0.612804 0.201 Uiso calc U . R 1 . .
P P1 0.52885(6) 0.59754(7) 0.70113(2) 0.0362(2) Uani d . . . 1 . .
C C11 0.6357(3) 0.6342(3) 0.69613(6) 0.0475(11) Uani d . . . 1 . .
C C12 0.6658(4) 0.5813(4) 0.69370(7) 0.0653(15) Uani d . . . 1 . .
H H12 0.631318 0.52446 0.695097 0.078 Uiso calc U . R 1 . .
C C13 0.7481(5) 0.6139(6) 0.68915(9) 0.091(2) Uani d . . . 1 . .
H H13 0.768907 0.578362 0.687228 0.109 Uiso calc U . R 1 . .
C C14 0.7990(4) 0.6961(6) 0.68743(10) 0.089(2) Uani d U . . 1 . .
H H14 0.854826 0.717099 0.684655 0.107 Uiso calc U . R 1 . .
C C15 0.7693(4) 0.7471(5) 0.68972(9) 0.084(2) Uani d . . . 1 . .
H H15 0.804383 0.803955 0.688416 0.1 Uiso calc U . R 1 . .
C C16 0.6880(3) 0.7170(4) 0.69394(8) 0.0648(14) Uani d . . . 1 . .
H H16 0.667861 0.753383 0.69536 0.078 Uiso calc U . R 1 . .
C C17 0.4867(3) 0.4907(3) 0.70654(6) 0.0416(9) Uani d . . . 1 . .
C C18 0.4968(3) 0.4644(3) 0.72413(6) 0.0533(12) Uani d . . . 1 . .
H H18 0.526401 0.503009 0.73364 0.064 Uiso calc U . R 1 . .
C C19 0.4637(4) 0.3821(4) 0.72774(8) 0.0732(17) Uani d . . . 1 . .
H H19 0.46996 0.364582 0.73978 0.088 Uiso calc U . R 1 . .
C C20 0.4221(5) 0.3263(4) 0.71402(9) 0.085(2) Uani d . . . 1 . .
H H20 0.398644 0.270046 0.716625 0.102 Uiso calc U . R 1 . .
C C21 0.4140(5) 0.3518(4) 0.69621(9) 0.0765(19) Uani d . . . 1 . .
H H21 0.387331 0.313104 0.686535 0.092 Uiso calc U . R 1 . .
C C22 0.4448(3) 0.4331(3) 0.69267(7) 0.0552(12) Uani d . . . 1 . .
H H22 0.437374 0.450083 0.680668 0.066 Uiso calc U . R 1 . .
C C23 0.5280(3) 0.6421(3) 0.72375(5) 0.0377(8) Uani d . . . 1 . .
C C24 0.4542(3) 0.6307(3) 0.72995(6) 0.0478(10) Uani d . . . 1 . .
H H24 0.407344 0.602897 0.722274 0.057 Uiso calc U . R 1 . .
C C25 0.4486(4) 0.6599(4) 0.74742(7) 0.0597(13) Uani d . . . 1 . .
H H25 0.397528 0.650624 0.751789 0.072 Uiso calc U . R 1 . .
C C26 0.5158(4) 0.7017(3) 0.75836(7) 0.0585(13) Uani d . . . 1 . .
H H26 0.511236 0.721575 0.770262 0.07 Uiso calc U . R 1 . .
C C27 0.5894(4) 0.7152(3) 0.75229(7) 0.0616(13) Uani d . . . 1 . .
H H27 0.636142 0.745215 0.759867 0.074 Uiso calc U . R 1 . .
C C28 0.5961(3) 0.6853(3) 0.73506(6) 0.0516(11) Uani d . . . 1 . .
H H28 0.647453 0.694271 0.730956 0.062 Uiso calc U . R 1 . .
B B1 1.0 1.0 0.6865(7) 0.33(6) Uani d T P S 1 . .
F F1 1.0 1.0 0.7045(3) 0.44(2) Uani d T P S 1 . .
F F2 0.9651(8) 0.9257(7) 0.67945(16) 0.241(5) Uani d . . . 1 . .
C C31 0.0161(7) 1.0245(18) 0.6393(3) 0.107(10) Uani d U P D 0.3333 A -1
H H31A 0.007504 1.015653 0.652977 0.128 Uiso calc U P R 0.3333 A -1
H H31B 0.033545 1.081891 0.636574 0.128 Uiso calc U P R 0.3333 A -1
Cl Cl1 0.0899(5) 1.0025(6) 0.63195(16) 0.114(3) Uani d . P D 0.3333 A -1
Cl Cl2 -0.0729(7) 0.9613(8) 0.62742(15) 0.146(4) Uani d . P D 0.3333 A -1
C C32 0.868(2) 0.8907(13) 0.7387(7) 0.098(13) Uani d U P D 0.1667 B -1
H H32A 0.828863 0.909914 0.736717 0.118 Uiso calc U P R 0.1667 B -1
H H32B 0.879583 0.875008 0.72637 0.118 Uiso calc U P R 0.1667 B -1
Cl Cl3 0.9547(15) 0.9673(14) 0.7477(6) 0.116(9) Uani d U P D 0.1667 B -1
Cl Cl4 0.8253(6) 0.8086(8) 0.7527(4) 0.103(6) Uani d . P D 0.1667 B -1


_geom_special_details            
;

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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Ag1 P1 . 2.4282(10) ?
Ag1 C1 . 2.435(3) ?
Ag1 C1 26_456 2.524(4) ?
Ag1 C1 27_556 2.545(3) ?
Ag1 C2 . 2.574(4) ?
Ag1 Cu1 25_566 2.7986(3) ?
Ag1 Ag1 26_456 3.1872(4) ?
Ag1 Ag1 27_556 3.1873(4) ?
Cu1 C1 2_665 1.983(4) ?
Cu1 C1 3_565 1.983(4) ?
Cu1 C1 . 1.983(4) ?
Cu1 Cu1 25_566 2.8726(14) ?
C1 C2 . 1.229(5) ?
C2 C3 . 1.432(6) ?
C3 C4 . 1.394(6) ?
C3 C8 . 1.405(6) ?
C4 C5 . 1.377(7) ?
C4 H4 . 0.95 ?
C5 C6 . 1.393(9) ?
C5 H5 . 0.95 ?
C6 C7 . 1.375(9) ?
C6 C9 . 1.549(10) ?
C7 C8 . 1.383(7) ?
C7 H7 . 0.95 ?
C8 H8 . 0.95 ?
C9 H9A . 0.98 ?
C9 H9B . 0.98 ?
C9 H9C . 0.98 ?
P1 C17 . 1.816(5) ?
P1 C11 . 1.825(4) ?
P1 C23 . 1.825(4) ?
C11 C16 . 1.389(8) ?
C11 C12 . 1.396(7) ?
C12 C13 . 1.404(9) ?
C12 H12 . 0.95 ?
C13 C14 . 1.373(12) ?
C13 H13 . 0.95 ?
C14 C15 . 1.357(11) ?
C14 H14 . 0.95 ?
C15 C16 . 1.389(8) ?
C15 H15 . 0.95 ?
C16 H16 . 0.95 ?
C17 C22 . 1.394(6) ?
C17 C18 . 1.398(6) ?
C18 C19 . 1.390(8) ?
C18 H18 . 0.95 ?
C19 C20 . 1.369(9) ?
C19 H19 . 0.95 ?
C20 C21 . 1.395(8) ?
C20 H20 . 0.95 ?
C21 C22 . 1.377(7) ?
C21 H21 . 0.95 ?
C22 H22 . 0.95 ?
C23 C24 . 1.383(6) ?
C23 C28 . 1.394(6) ?
C24 C25 . 1.390(6) ?
C24 H24 . 0.95 ?
C25 C26 . 1.363(8) ?
C25 H25 . 0.95 ?
C26 C27 . 1.362(8) ?
C26 H26 . 0.95 ?
C27 C28 . 1.387(7) ?
C27 H27 . 0.95 ?
C28 H28 . 0.95 ?
B1 F1 . 1.28(5) ?
B1 F2 . 1.32(2) ?
B1 F2 2_765 1.32(2) ?
B1 F2 3_675 1.32(2) ?
C31 Cl2 . 1.731(17) ?
C31 Cl1 . 1.734(17) ?
C31 H31A . 0.99 ?
C31 H31B . 0.99 ?
C32 Cl4 . 1.68(3) ?
C32 Cl3 . 1.69(3) ?
C32 H32A . 0.99 ?
C32 H32B . 0.99 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
P1 Ag1 C1 . . 150.21(9) ?
P1 Ag1 C1 . 26_456 109.13(8) ?
C1 Ag1 C1 . 26_456 92.65(14) ?
P1 Ag1 C1 . 27_556 109.23(8) ?
C1 Ag1 C1 . 27_556 92.15(14) ?
C1 Ag1 C1 26_456 27_556 85.26(16) ?
P1 Ag1 C2 . . 122.03(9) ?
C1 Ag1 C2 . . 28.23(12) ?
C1 Ag1 C2 26_456 . 111.52(12) ?
C1 Ag1 C2 27_556 . 113.60(12) ?
P1 Ag1 Cu1 . 25_566 125.00(3) ?
C1 Ag1 Cu1 . 25_566 84.79(8) ?
C1 Ag1 Cu1 26_456 25_566 43.37(8) ?
C1 Ag1 Cu1 27_556 25_566 43.25(8) ?
C2 Ag1 Cu1 . 25_566 112.96(9) ?
P1 Ag1 Ag1 . 26_456 131.66(3) ?
C1 Ag1 Ag1 . 26_456 51.74(8) ?
C1 Ag1 Ag1 26_456 26_456 48.79(8) ?
C1 Ag1 Ag1 27_556 26_456 110.13(8) ?
C2 Ag1 Ag1 . 26_456 63.23(9) ?
Cu1 Ag1 Ag1 25_566 26_456 72.261(9) ?
P1 Ag1 Ag1 . 27_556 131.56(3) ?
C1 Ag1 Ag1 . 27_556 51.25(8) ?
C1 Ag1 Ag1 26_456 27_556 110.30(8) ?
C1 Ag1 Ag1 27_556 27_556 48.71(8) ?
C2 Ag1 Ag1 . 27_556 65.69(8) ?
Cu1 Ag1 Ag1 25_566 27_556 72.260(9) ?
Ag1 Ag1 Ag1 26_456 27_556 95.778(12) ?
C1 Cu1 C1 2_665 3_565 119.917(11) ?
C1 Cu1 C1 2_665 . 119.910(13) ?
C1 Cu1 C1 3_565 . 119.911(12) ?
C1 Cu1 Ag1 2_665 26_456 169.02(10) ?
C1 Cu1 Ag1 3_565 26_456 60.93(10) ?
C1 Cu1 Ag1 . 26_456 61.55(10) ?
C1 Cu1 Ag1 2_665 27_556 61.55(10) ?
C1 Cu1 Ag1 3_565 27_556 169.02(10) ?
C1 Cu1 Ag1 . 27_556 60.94(10) ?
Ag1 Cu1 Ag1 26_456 27_556 115.329(11) ?
C1 Cu1 Ag1 2_665 25_566 60.94(10) ?
C1 Cu1 Ag1 3_565 25_566 61.55(10) ?
C1 Cu1 Ag1 . 25_566 169.02(10) ?
Ag1 Cu1 Ag1 26_456 25_566 115.326(11) ?
Ag1 Cu1 Ag1 27_556 25_566 115.324(11) ?
C1 Cu1 Cu1 2_665 25_566 91.70(10) ?
C1 Cu1 Cu1 3_565 25_566 91.70(10) ?
C1 Cu1 Cu1 . 25_566 91.70(10) ?
Ag1 Cu1 Cu1 26_456 25_566 77.326(15) ?
Ag1 Cu1 Cu1 27_556 25_566 77.325(15) ?
Ag1 Cu1 Cu1 25_566 25_566 77.321(15) ?
C2 C1 Cu1 . . 170.7(3) ?
C2 C1 Ag1 . . 82.2(2) ?
Cu1 C1 Ag1 . . 106.19(15) ?
C2 C1 Ag1 . 27_556 110.3(3) ?
Cu1 C1 Ag1 . 27_556 75.69(12) ?
Ag1 C1 Ag1 . 27_556 79.96(10) ?
C2 C1 Ag1 . 26_456 103.0(3) ?
Cu1 C1 Ag1 . 26_456 75.20(11) ?
Ag1 C1 Ag1 . 26_456 79.55(10) ?
Ag1 C1 Ag1 27_556 26_456 137.77(15) ?
C1 C2 C3 . . 169.4(4) ?
C1 C2 Ag1 . . 69.6(2) ?
C3 C2 Ag1 . . 121.0(3) ?
C4 C3 C8 . . 117.3(4) ?
C4 C3 C2 . . 123.9(4) ?
C8 C3 C2 . . 118.7(4) ?
C5 C4 C3 . . 121.8(5) ?
C5 C4 H4 . . 119.1 ?
C3 C4 H4 . . 119.1 ?
C4 C5 C6 . . 120.3(5) ?
C4 C5 H5 . . 119.8 ?
C6 C5 H5 . . 119.8 ?
C7 C6 C5 . . 118.4(5) ?
C7 C6 C9 . . 121.0(7) ?
C5 C6 C9 . . 120.4(6) ?
C6 C7 C8 . . 121.7(5) ?
C6 C7 H7 . . 119.1 ?
C8 C7 H7 . . 119.1 ?
C7 C8 C3 . . 120.3(5) ?
C7 C8 H8 . . 119.9 ?
C3 C8 H8 . . 119.9 ?
C6 C9 H9A . . 109.5 ?
C6 C9 H9B . . 109.5 ?
H9A C9 H9B . . 109.5 ?
C6 C9 H9C . . 109.5 ?
H9A C9 H9C . . 109.5 ?
H9B C9 H9C . . 109.5 ?
C17 P1 C11 . . 104.7(2) ?
C17 P1 C23 . . 103.33(19) ?
C11 P1 C23 . . 105.2(2) ?
C17 P1 Ag1 . . 114.05(14) ?
C11 P1 Ag1 . . 117.87(14) ?
C23 P1 Ag1 . . 110.36(13) ?
C16 C11 C12 . . 118.9(5) ?
C16 C11 P1 . . 119.0(4) ?
C12 C11 P1 . . 122.0(4) ?
C11 C12 C13 . . 118.7(7) ?
C11 C12 H12 . . 120.7 ?
C13 C12 H12 . . 120.7 ?
C14 C13 C12 . . 121.4(6) ?
C14 C13 H13 . . 119.3 ?
C12 C13 H13 . . 119.3 ?
C15 C14 C13 . . 119.7(6) ?
C15 C14 H14 . . 120.2 ?
C13 C14 H14 . . 120.2 ?
C14 C15 C16 . . 120.5(7) ?
C14 C15 H15 . . 119.7 ?
C16 C15 H15 . . 119.7 ?
C15 C16 C11 . . 120.8(6) ?
C15 C16 H16 . . 119.6 ?
C11 C16 H16 . . 119.6 ?
C22 C17 C18 . . 118.8(4) ?
C22 C17 P1 . . 119.3(3) ?
C18 C17 P1 . . 121.9(4) ?
C19 C18 C17 . . 120.2(5) ?
C19 C18 H18 . . 119.9 ?
C17 C18 H18 . . 119.9 ?
C20 C19 C18 . . 120.2(5) ?
C20 C19 H19 . . 119.9 ?
C18 C19 H19 . . 119.9 ?
C19 C20 C21 . . 120.1(6) ?
C19 C20 H20 . . 119.9 ?
C21 C20 H20 . . 119.9 ?
C22 C21 C20 . . 119.9(5) ?
C22 C21 H21 . . 120.0 ?
C20 C21 H21 . . 120.0 ?
C21 C22 C17 . . 120.6(4) ?
C21 C22 H22 . . 119.7 ?
C17 C22 H22 . . 119.7 ?
C24 C23 C28 . . 118.7(4) ?
C24 C23 P1 . . 117.0(3) ?
C28 C23 P1 . . 124.3(3) ?
C23 C24 C25 . . 119.9(4) ?
C23 C24 H24 . . 120.1 ?
C25 C24 H24 . . 120.1 ?
C26 C25 C24 . . 120.7(5) ?
C26 C25 H25 . . 119.7 ?
C24 C25 H25 . . 119.7 ?
C27 C26 C25 . . 120.2(5) ?
C27 C26 H26 . . 119.9 ?
C25 C26 H26 . . 119.9 ?
C26 C27 C28 . . 120.1(5) ?
C26 C27 H27 . . 119.9 ?
C28 C27 H27 . . 119.9 ?
C27 C28 C23 . . 120.3(5) ?
C27 C28 H28 . . 119.8 ?
C23 C28 H28 . . 119.8 ?
F1 B1 F2 . . 112.(2) ?
F1 B1 F2 . 2_765 112.(2) ?
F2 B1 F2 . 2_765 106.(2) ?
F1 B1 F2 . 3_675 112.(2) ?
F2 B1 F2 . 3_675 106.(2) ?
F2 B1 F2 2_765 3_675 106.(2) ?
Cl2 C31 Cl1 . . 108.4(15) ?
Cl2 C31 H31A . . 110.0 ?
Cl1 C31 H31A . . 110.0 ?
Cl2 C31 H31B . . 110.0 ?
Cl1 C31 H31B . . 110.0 ?
H31A C31 H31B . . 108.4 ?
Cl4 C32 Cl3 . . 113.(3) ?
Cl4 C32 H32A . . 109.0 ?
Cl3 C32 H32A . . 109.0 ?
Cl4 C32 H32B . . 109.0 ?
Cl3 C32 H32B . . 109.0 ?
H32A C32 H32B . . 107.8 ?



####################################################################### 
# 
# 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_20190309_mikami364_3
_database_code_depnum_ccdc_archive 'CCDC 2056425'
loop_
_audit_author_name
_audit_author_address
'Tsutomu Mizuta'
;Graduate School of Advanced Science and Engineering, Hiroshima University
Japan
;
_audit_update_record             
;
2021-01-15 deposited with the CCDC.	2021-03-15 downloaded from the CCDC.
;
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C378 H309 Ag26 B3 Cl7 Cu4 F12 P15'
_chemical_formula_iupac          ?
_chemical_formula_weight         8883.14
_chemical_absolute_configuration ?

_chemical_melting_point          ?

_space_group_crystal_system      trigonal
_space_group_name_H-M_alt        'R 3'
_space_group_name_Hall           'R 3'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'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+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'

_cell_length_a                   26.339(4)
_cell_length_b                   26.339
_cell_length_c                   47.891(8)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     28773.(11)
_cell_formula_units_Z            3
_cell_measurement_reflns_used    1661
_cell_measurement_theta_min      2.0136
_cell_measurement_theta_max      22.2169
_cell_measurement_temperature    173.(2)

_exptl_crystal_description       block
_exptl_crystal_colour            'clear light purple'
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.190
_exptl_crystal_size_min          0.120
_exptl_crystal_density_diffrn    1.538
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             13146

_exptl_absorpt_coefficient_mu    1.674
_exptl_absorpt_correction_type   Multi-Scan
_exptl_absorpt_process_details   'SADABS V2012/1 (Bruker AXS Inc.)'
_exptl_absorpt_correction_T_min  0.67
_exptl_absorpt_correction_T_max  0.82

_exptl_special_details           
;
;

_diffrn_ambient_temperature      173.(2)

_diffrn_source                   'rotating-anode X-ray tube'
_diffrn_source_type              'Bruker Turbo X-ray Source'

_diffrn_radiation_type           MoKa
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  'multilayered conforcal mirror'

_diffrn_measurement_device_type  'Bruker D8 goniometer'
_diffrn_measurement_method       'omega scans'

_diffrn_detector_area_resol_mean 8.3333

_diffrn_reflns_number            52832
_diffrn_reflns_av_R_equivalents  0.0334
_diffrn_reflns_av_unetI/netI     0.0640
_diffrn_reflns_theta_min         1.83
_diffrn_reflns_theta_max         27.30
_diffrn_reflns_theta_full        27.30
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_limit_h_min       -33
_diffrn_reflns_limit_h_max       33
_diffrn_reflns_limit_k_min       -33
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -61
_diffrn_reflns_limit_l_max       59

_refine_special_details          
'Refined as a 2-component inversion twin.,SQUEEZE'

_reflns_number_total             27636
_reflns_number_gt                20630
_reflns_threshold_expression     'I > 2σ(I)'

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_R_factor_all          0.0828
_refine_ls_R_factor_gt           0.0548
_refine_ls_wR_factor_gt          0.1308
_refine_ls_wR_factor_ref         0.1459
_refine_ls_goodness_of_fit_ref   1.070
_refine_ls_restrained_S_all      1.070
_refine_ls_number_reflns         27636
_refine_ls_number_parameters     1337
_refine_ls_number_restraints     2
_refine_ls_number_constraints    ?
_refine_ls_hydrogen_treatment    constr
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0653P)²+231.9049P] where P=(Fo²+2Fc²)/3'

_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?

_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         1.977
_refine_diff_density_min         -1.077
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 
;

Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.44(3)

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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_computing_data_collection       'APEX2(Bruker AXS)'
_computing_cell_refinement       'SAINT V8.34A (Bruker AXS Inc., 2013)'
_computing_data_reduction        'SAINT V8.34A (Bruker AXS Inc., 2013)'
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2017/1 (Sheldrick, 2017)'
_computing_molecular_graphics    'XSHELL V6.3.1(Bruker AXS)'
_computing_publication_material  'Generate Report (Bruker AXS)'

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_refinement_flags_posn
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag Ag1 0.333333 0.666667 0.50405(3) 0.0277(3) Uani d T P S 1.0 . .
Ag Ag2 0.40380(4) 0.71245(4) 0.55678(2) 0.0369(2) Uani d . . . 1.0 . .
Ag Ag3 0.42637(4) 0.63226(4) 0.50952(2) 0.0368(2) Uani d . . . 1.0 . .
Ag Ag4 0.45454(4) 0.76635(4) 0.49355(2) 0.0366(2) Uani d . . . 1.0 . .
Ag Ag5 0.36483(4) 0.74935(4) 0.45544(2) 0.0364(2) Uani d . . . 1.0 . .
Ag Ag6 0.51319(5) 0.65263(5) 0.56881(2) 0.0410(2) Uani d . . . 1.0 . .
Ag Ag7 0.54283(4) 0.83761(4) 0.56268(2) 0.0404(2) Uani d . . . 1.0 . .
Ag Ag8 0.58644(4) 0.75955(5) 0.49038(2) 0.0421(2) Uani d . . . 1.0 . .
Ag Ag9 0.44995(4) 0.72163(4) 0.39673(2) 0.0375(2) Uani d . . . 1.0 . .
Ag Ag10 1.0 1.0 0.34892(4) 0.0407(4) Uani d T P S 1.0 . .
Cu Cu1 0.51392(6) 0.73663(6) 0.53480(3) 0.0299(3) Uani d . . . 1.0 . .
Cu Cu2 0.333333 0.666667 0.41044(5) 0.0293(5) Uani d T P S 1.0 . .
Cl Cl1 0.49818(10) 0.73139(11) 0.44887(5) 0.0219(5) Uani d . . . 1.0 . .
Cl Cl2 0.39772(10) 0.56719(11) 0.55935(6) 0.0222(5) Uani d . . . 1.0 . .
Cl Cl3 1.0 1.0 0.29458(17) 0.077(2) Uani d T P S 1.0 . .
P P1 0.57437(15) 0.62170(15) 0.59190(8) 0.0383(8) Uani d . . . 1.0 . .
P P2 0.60844(15) 0.90761(14) 0.59589(8) 0.0354(7) Uani d . . . 1.0 . .
P P3 0.68619(14) 0.81236(16) 0.47484(8) 0.0387(8) Uani d . . . 1.0 . .
P P4 0.51521(14) 0.73675(15) 0.35837(7) 0.0337(7) Uani d . . . 1.0 . .
P P5 0.90269(14) 0.98688(15) 0.36407(9) 0.0390(8) Uani d . . . 1.0 . .
C C1 0.4961(5) 0.7337(5) 0.5756(3) 0.034(3) Uani d . . . 1.0 . .
C C2 0.4804(5) 0.7230(5) 0.5999(3) 0.037(3) Uani d . . . 1.0 . .
C C3 0.4641(6) 0.7120(6) 0.6294(3) 0.038(3) Uani d . . . 1.0 . .
C C4 0.4181(7) 0.6586(8) 0.6375(3) 0.059(4) Uani d . . . 1.0 . .
H H4 0.39626 0.629684 0.623815 0.071 Uiso calc U . R 1.0 . .
C C5 0.4033(7) 0.6465(8) 0.6654(4) 0.063(5) Uani d . . . 1.0 . .
H H5 0.368967 0.611084 0.670499 0.076 Uiso calc U . R 1.0 . .
C C6 0.4374(8) 0.6849(9) 0.6858(4) 0.063(4) Uani d . . . 1.0 . .
C C7 0.4830(7) 0.7402(9) 0.6776(3) 0.058(4) Uani d . . . 1.0 . .
H H7 0.505288 0.769001 0.691217 0.069 Uiso calc U . R 1.0 . .
C C8 0.4954(7) 0.7527(6) 0.6488(3) 0.047(3) Uani d . . . 1.0 . .
H H8 0.526209 0.790108 0.643118 0.056 Uiso calc U . R 1.0 . .
C C9 0.4253(11) 0.6703(12) 0.7169(4) 0.096(7) Uani d . . . 1.0 . .
H H9A 0.393808 0.677248 0.723044 0.144 Uiso calc U . R 1.0 . .
H H9B 0.460938 0.695273 0.727656 0.144 Uiso calc U . R 1.0 . .
H H9C 0.413491 0.629044 0.719945 0.144 Uiso calc U . R 1.0 . .
C C11 0.5486(5) 0.8145(5) 0.5153(3) 0.031(3) Uani d . . . 1.0 . .
C C12 0.5625(6) 0.8627(6) 0.5068(3) 0.035(3) Uani d . . . 1.0 . .
C C13 0.5817(7) 0.9231(6) 0.4963(3) 0.047(4) Uani d . . . 1.0 . .
C C14 0.5446(8) 0.9461(7) 0.5009(4) 0.063(5) Uani d . . . 1.0 . .
H H14 0.507002 0.922462 0.508994 0.075 Uiso calc U . R 1.0 . .
C C15 0.5630(9) 1.0036(8) 0.4934(4) 0.069(5) Uani d . . . 1.0 . .
H H15 0.537076 1.01872 0.495222 0.083 Uiso calc U . R 1.0 . .
C C16 0.6197(10) 1.0393(7) 0.4832(4) 0.075(6) Uani d . . . 1.0 . .
C C17 0.6536(9) 1.0149(8) 0.4784(4) 0.073(5) Uani d . . . 1.0 . .
H H17 0.691301 1.038241 0.470279 0.087 Uiso calc U . R 1.0 . .
C C18 0.6349(7) 0.9561(6) 0.4850(3) 0.048(3) Uani d . . . 1.0 . .
H H18 0.65949 0.940007 0.481463 0.057 Uiso calc U . R 1.0 . .
C C19 0.6397(13) 1.1025(8) 0.4768(5) 0.109(9) Uani d . . . 1.0 . .
H H19A 0.663434 1.127129 0.492395 0.164 Uiso calc U . R 1.0 . .
H H19B 0.605411 1.10737 0.474312 0.164 Uiso calc U . R 1.0 . .
H H19C 0.663199 1.114281 0.459721 0.164 Uiso calc U . R 1.0 . .
C C21 0.5281(6) 0.6753(5) 0.5188(3) 0.036(3) Uani d . . . 1.0 . .
C C22 0.5391(6) 0.6423(6) 0.5051(3) 0.039(3) Uani d . . . 1.0 . .
C C23 0.5544(8) 0.6052(7) 0.4904(4) 0.054(4) Uani d . . . 1.0 . .
C C24 0.5418(7) 0.5939(8) 0.4620(4) 0.065(5) Uani d . . . 1.0 . .
H H24 0.51996 0.608962 0.452958 0.078 Uiso calc U . R 1.0 . .
C C25 0.5599(9) 0.5619(9) 0.4467(4) 0.077(6) Uani d . . . 1.0 . .
H H25 0.550026 0.554164 0.427531 0.092 Uiso calc U . R 1.0 . .
C C26 0.5944(10) 0.5398(9) 0.4604(6) 0.088(7) Uani d . . . 1.0 . .
C C27 0.6053(8) 0.5495(8) 0.4883(5) 0.070(5) Uani d . . . 1.0 . .
H H27 0.627135 0.534587 0.497469 0.084 Uiso calc U . R 1.0 . .
C C28 0.5854(7) 0.5807(7) 0.5035(4) 0.056(4) Uani d . . . 1.0 . .
H H28 0.592657 0.585722 0.522998 0.067 Uiso calc U . R 1.0 . .
C C29 0.6203(12) 0.5089(13) 0.4438(7) 0.135(12) Uani d . . . 1.0 . .
H H29A 0.6111 0.472237 0.453169 0.202 Uiso calc U . R 1.0 . .
H H29B 0.662895 0.534341 0.442608 0.202 Uiso calc U . R 1.0 . .
H H29C 0.603514 0.500369 0.424969 0.202 Uiso calc U . R 1.0 . .
C C31 0.3810(5) 0.7529(5) 0.4058(2) 0.027(2) Uani d . . . 1.0 . .
C C32 0.4174(6) 0.8057(6) 0.4050(3) 0.042(3) Uani d . . . 1.0 . .
C C33 0.4571(6) 0.8673(6) 0.4032(4) 0.050(4) Uani d . . . 1.0 . .
C C34 0.5040(8) 0.8940(7) 0.4219(4) 0.065(5) Uani d . . . 1.0 . .
H H34 0.508331 0.871318 0.436165 0.078 Uiso calc U . R 1.0 . .
C C35 0.5433(10) 0.9522(9) 0.4200(5) 0.086(6) Uani d . . . 1.0 . .
H H35 0.576135 0.969536 0.432171 0.103 Uiso calc U . R 1.0 . .
C C36 0.5359(10) 0.9873(7) 0.3998(6) 0.090(8) Uani d . . . 1.0 . .
C C37 0.4895(10) 0.9620(8) 0.3811(5) 0.082(6) Uani d . . . 1.0 . .
H H37 0.48451 0.98455 0.367042 0.098 Uiso calc U . R 1.0 . .
C C38 0.4499(7) 0.9010(7) 0.3838(4) 0.061(5) Uani d . . . 1.0 . .
H H38 0.41704 0.883029 0.3717 0.074 Uiso calc U . R 1.0 . .
C C39 0.5787(14) 1.0535(10) 0.3992(8) 0.154(15) Uani d . . . 1.0 . .
H H39A 0.615642 1.061179 0.390621 0.23 Uiso calc U . R 1.0 . .
H H39B 0.5862 1.068826 0.418345 0.23 Uiso calc U . R 1.0 . .
H H39C 0.561708 1.072847 0.388337 0.23 Uiso calc U . R 1.0 . .
C C41 0.5638(6) 0.5518(6) 0.5800(3) 0.044(3) Uani d . . . 1.0 . .
C C42 0.5055(7) 0.5095(6) 0.5729(3) 0.045(3) Uani d . . . 1.0 . .
H H42 0.474828 0.518257 0.575093 0.054 Uiso calc U . R 1.0 . .
C C43 0.4931(8) 0.4553(8) 0.5627(4) 0.065(5) Uani d . . . 1.0 . .
H H43 0.453719 0.426555 0.558565 0.078 Uiso calc U . R 1.0 . .
C C44 0.5373(9) 0.4425(8) 0.5584(4) 0.072(5) Uani d . . . 1.0 . .
H H44 0.528593 0.405008 0.55176 0.087 Uiso calc U . R 1.0 . .
C C45 0.5954(10) 0.4859(9) 0.5640(5) 0.086(6) Uani d . . . 1.0 . .
H H45 0.626517 0.478647 0.560055 0.103 Uiso calc U . R 1.0 . .
C C46 0.6076(7) 0.5393(7) 0.5752(4) 0.053(4) Uani d . . . 1.0 . .
H H46 0.646881 0.567675 0.57966 0.064 Uiso calc U . R 1.0 . .
C C47 0.5662(5) 0.6140(6) 0.6300(3) 0.039(3) Uani d . . . 1.0 . .
C C48 0.5652(6) 0.5671(6) 0.6444(3) 0.044(3) Uani d . . . 1.0 . .
H H48 0.570173 0.5384 0.634728 0.053 Uiso calc U . R 1.0 . .
C C49 0.5566(7) 0.5638(8) 0.6730(3) 0.058(4) Uani d . . . 1.0 . .
H H49 0.556608 0.532607 0.682998 0.07 Uiso calc U . R 1.0 . .
C C50 0.5482(6) 0.6038(7) 0.6875(4) 0.053(4) Uani d . . . 1.0 . .
H H50 0.541266 0.600098 0.707016 0.063 Uiso calc U . R 1.0 . .
C C51 0.5502(6) 0.6494(7) 0.6728(3) 0.051(4) Uani d . . . 1.0 . .
H H51 0.544867 0.67785 0.682562 0.061 Uiso calc U . R 1.0 . .
C C52 0.5597(7) 0.6552(6) 0.6445(3) 0.047(3) Uani d . . . 1.0 . .
H H52 0.561658 0.687776 0.634941 0.057 Uiso calc U . R 1.0 . .
C C53 0.6520(6) 0.6720(5) 0.5870(3) 0.037(3) Uani d . . . 1.0 . .
C C54 0.6952(6) 0.6762(7) 0.6057(4) 0.055(4) Uani d . . . 1.0 . .
H H54 0.68443 0.65301 0.62219 0.066 Uiso calc U . R 1.0 . .
C C55 0.7537(8) 0.7147(8) 0.5997(4) 0.066(5) Uani d . . . 1.0 . .
H H55 0.782865 0.717826 0.612395 0.079 Uiso calc U . R 1.0 . .
C C56 0.7704(8) 0.7483(9) 0.5763(4) 0.074(6) Uani d . . . 1.0 . .
H H56 0.81063 0.774579 0.572536 0.089 Uiso calc U . R 1.0 . .
C C57 0.7285(8) 0.7434(9) 0.5584(4) 0.071(5) Uani d . . . 1.0 . .
H H57 0.740246 0.766483 0.541857 0.086 Uiso calc U . R 1.0 . .
C C58 0.6713(6) 0.7074(7) 0.5629(4) 0.053(4) Uani d . . . 1.0 . .
H H58 0.643501 0.705594 0.549745 0.064 Uiso calc U . R 1.0 . .
C C59 0.6663(5) 0.8931(6) 0.6076(3) 0.035(3) Uani d . . . 1.0 . .
C C60 0.6552(7) 0.8356(7) 0.6086(4) 0.055(4) Uani d . . . 1.0 . .
H H60 0.617523 0.804611 0.603493 0.066 Uiso calc U . R 1.0 . .
C C61 0.6960(8) 0.8229(8) 0.6167(4) 0.062(5) Uani d . . . 1.0 . .
H H61 0.687336 0.783325 0.61668 0.075 Uiso calc U . R 1.0 . .
C C62 0.7511(7) 0.8669(8) 0.6251(4) 0.061(4) Uani d . . . 1.0 . .
H H62 0.780071 0.857785 0.630979 0.073 Uiso calc U . R 1.0 . .
C C63 0.7628(7) 0.9242(7) 0.6245(4) 0.052(4) Uani d . . . 1.0 . .
H H63 0.800194 0.95493 0.630291 0.063 Uiso calc U . R 1.0 . .
C C64 0.7210(6) 0.9374(7) 0.6158(3) 0.050(4) Uani d . . . 1.0 . .
H H64 0.729676 0.976981 0.615486 0.06 Uiso calc U . R 1.0 . .
C C65 0.5723(6) 0.9083(6) 0.6280(3) 0.039(3) Uani d . . . 1.0 . .
C C66 0.5980(7) 0.9191(6) 0.6537(3) 0.044(3) Uani d . . . 1.0 . .
H H66 0.636873 0.925976 0.655178 0.053 Uiso calc U . R 1.0 . .
C C67 0.5699(9) 0.9202(7) 0.6771(5) 0.071(5) Uani d . . . 1.0 . .
H H67 0.589584 0.930158 0.694537 0.085 Uiso calc U . R 1.0 . .
C C68 0.5108(9) 0.9064(7) 0.6752(4) 0.063(5) Uani d . . . 1.0 . .
H H68 0.490157 0.904828 0.691722 0.076 Uiso calc U . R 1.0 . .
C C69 0.4833(7) 0.8954(7) 0.6503(4) 0.057(4) Uani d . . . 1.0 . .
H H69 0.443874 0.886983 0.648933 0.068 Uiso calc U . R 1.0 . .
C C70 0.5155(6) 0.8968(6) 0.6261(3) 0.041(3) Uani d . . . 1.0 . .
H H70 0.497287 0.889767 0.608247 0.05 Uiso calc U . R 1.0 . .
C C71 0.6481(6) 0.9841(6) 0.5850(3) 0.044(3) Uani d . . . 1.0 . .
C C72 0.6603(7) 1.0304(6) 0.6026(4) 0.053(4) Uani d . . . 1.0 . .
H H72 0.64862 1.022563 0.621636 0.064 Uiso calc U . R 1.0 . .
C C73 0.6894(7) 1.0885(7) 0.5932(5) 0.068(5) Uani d . . . 1.0 . .
H H73 0.695039 1.119635 0.605182 0.082 Uiso calc U . R 1.0 . .
C C74 0.7089(8) 1.0990(7) 0.5669(6) 0.084(7) Uani d . . . 1.0 . .
H H74 0.729748 1.138025 0.560029 0.101 Uiso calc U . R 1.0 . .
C C75 0.6981(9) 1.0514(8) 0.5495(5) 0.075(5) Uani d . . . 1.0 . .
H H75 0.713192 1.059767 0.531061 0.09 Uiso calc U . R 1.0 . .
C C76 0.6687(7) 0.9969(7) 0.5572(4) 0.053(4) Uani d . . . 1.0 . .
H H76 0.661314 0.966309 0.544429 0.064 Uiso calc U . R 1.0 . .
C C77 0.7146(6) 0.7706(6) 0.4577(3) 0.041(3) Uani d . . . 1.0 . .
C C78 0.7519(7) 0.7920(8) 0.4349(3) 0.057(4) Uani d . . . 1.0 . .
H H78 0.76417 0.830064 0.427795 0.068 Uiso calc U . R 1.0 . .
C C79 0.7714(8) 0.7555(11) 0.4225(5) 0.081(6) Uani d . . . 1.0 . .
H H79 0.79449 0.76805 0.405991 0.097 Uiso calc U . R 1.0 . .
C C80 0.7572(9) 0.7031(12) 0.4340(4) 0.080(6) Uani d . . . 1.0 . .
H H80 0.772717 0.680343 0.426463 0.096 Uiso calc U . R 1.0 . .
C C81 0.7208(8) 0.6831(9) 0.4563(5) 0.074(6) Uani d . . . 1.0 . .
H H81 0.709954 0.645651 0.46375 0.089 Uiso calc U . R 1.0 . .
C C82 0.6993(7) 0.7158(8) 0.4684(4) 0.059(4) Uani d . . . 1.0 . .
H H82 0.673923 0.700861 0.484028 0.071 Uiso calc U . R 1.0 . .
C C83 0.7390(6) 0.8494(6) 0.5028(3) 0.045(3) Uani d . . . 1.0 . .
C C84 0.7951(6) 0.8608(8) 0.5017(4) 0.059(4) Uani d . . . 1.0 . .
H H84 0.807955 0.847326 0.486359 0.071 Uiso calc U . R 1.0 . .
C C85 0.8335(8) 0.8921(8) 0.5229(4) 0.062(4) Uani d . . . 1.0 . .
H H85 0.872967 0.900319 0.52188 0.074 Uiso calc U . R 1.0 . .
C C86 0.8162(8) 0.9113(10) 0.5452(4) 0.082(6) Uani d . . . 1.0 . .
H H86 0.842348 0.930804 0.560219 0.099 Uiso calc U . R 1.0 . .
C C87 0.7597(8) 0.9020(10) 0.5456(5) 0.081(6) Uani d . . . 1.0 . .
H H87 0.747582 0.917851 0.560303 0.097 Uiso calc U . R 1.0 . .
C C88 0.7219(7) 0.8704(8) 0.5253(3) 0.058(4) Uani d . . . 1.0 . .
H H88 0.682488 0.862324 0.52638 0.07 Uiso calc U . R 1.0 . .
C C89 0.6971(6) 0.8701(7) 0.4506(3) 0.050(4) Uani d . . . 1.0 . .
C C90 0.6537(5) 0.8601(6) 0.4330(3) 0.040(3) Uani d . . . 1.0 . .
H H90 0.618947 0.82281 0.433173 0.048 Uiso calc U . R 1.0 . .
C C91 0.6576(7) 0.9021(8) 0.4145(4) 0.062(4) Uani d . . . 1.0 . .
H H91 0.626759 0.893354 0.401643 0.075 Uiso calc U . R 1.0 . .
C C92 0.7075(8) 0.9578(8) 0.4150(4) 0.061(4) Uani d . . . 1.0 . .
H H92 0.711031 0.987333 0.402422 0.073 Uiso calc U . R 1.0 . .
C C93 0.7510(7) 0.9692(7) 0.4335(4) 0.062(5) Uani d . . . 1.0 . .
H H93 0.783995 1.007622 0.434642 0.075 Uiso calc U . R 1.0 . .
C C94 0.7479(6) 0.9252(6) 0.4511(4) 0.051(4) Uani d . . . 1.0 . .
H H94 0.779647 0.932655 0.46307 0.061 Uiso calc U . R 1.0 . .
C C95 0.5596(5) 0.7018(6) 0.3638(3) 0.037(3) Uani d . . . 1.0 . .
C C96 0.5738(6) 0.6759(6) 0.3442(3) 0.042(3) Uani d . . . 1.0 . .
H H96 0.560653 0.675218 0.325663 0.051 Uiso calc U . R 1.0 . .
C C97 0.6068(7) 0.6502(7) 0.3495(4) 0.054(4) Uani d . . . 1.0 . .
H H97 0.615678 0.631196 0.334997 0.065 Uiso calc U . R 1.0 . .
C C98 0.6268(6) 0.6524(7) 0.3764(4) 0.053(4) Uani d . . . 1.0 . .
H H98 0.649294 0.634156 0.380356 0.064 Uiso calc U . R 1.0 . .
C C99 0.6151(7) 0.6807(7) 0.3979(3) 0.054(4) Uani d . . . 1.0 . .
H H99 0.630444 0.683574 0.416168 0.065 Uiso calc U . R 1.0 . .
C C100 0.5795(5) 0.7049(6) 0.3915(3) 0.039(3) Uani d . . . 1.0 . .
H H100 0.568881 0.72316 0.405607 0.046 Uiso calc U . R 1.0 . .
C C101 0.4758(5) 0.7048(6) 0.3259(3) 0.037(3) Uani d . . . 1.0 . .
C C102 0.4949(7) 0.7275(8) 0.3002(3) 0.054(4) Uani d . . . 1.0 . .
H H102 0.532437 0.761354 0.298108 0.065 Uiso calc U . R 1.0 . .
C C103 0.4603(7) 0.7020(7) 0.2769(3) 0.051(4) Uani d . . . 1.0 . .
H H103 0.474589 0.71889 0.259049 0.061 Uiso calc U . R 1.0 . .
C C104 0.4067(7) 0.6537(7) 0.2790(3) 0.053(4) Uani d . . . 1.0 . .
H H104 0.382914 0.636756 0.262955 0.064 Uiso calc U . R 1.0 . .
C C105 0.3881(7) 0.6303(7) 0.3044(4) 0.051(4) Uani d . . . 1.0 . .
H H105 0.351077 0.595545 0.306018 0.061 Uiso calc U . R 1.0 . .
C C106 0.4202(6) 0.6546(6) 0.3278(3) 0.042(3) Uani d . . . 1.0 . .
H H106 0.40489 0.637619 0.345479 0.05 Uiso calc U . R 1.0 . .
C C107 0.5684(6) 0.8131(6) 0.3502(3) 0.040(3) Uani d . . . 1.0 . .
C C108 0.6237(6) 0.8291(7) 0.3399(4) 0.051(4) Uani d . . . 1.0 . .
H H108 0.635108 0.800625 0.336545 0.062 Uiso calc U . R 1.0 . .
C C109 0.6630(7) 0.8902(7) 0.3344(4) 0.061(5) Uani d . . . 1.0 . .
H H109 0.701421 0.902295 0.327876 0.073 Uiso calc U . R 1.0 . .
C C110 0.6473(8) 0.9298(7) 0.3382(4) 0.062(4) Uani d . . . 1.0 . .
H H110 0.674318 0.969982 0.33455 0.075 Uiso calc U . R 1.0 . .
C C111 0.5896(7) 0.9125(7) 0.3479(3) 0.055(4) Uani d . . . 1.0 . .
H H111 0.577842 0.940876 0.350433 0.066 Uiso calc U . R 1.0 . .
C C112 0.5505(6) 0.8532(6) 0.3535(3) 0.047(4) Uani d . . . 1.0 . .
H H112 0.511714 0.841064 0.359623 0.056 Uiso calc U . R 1.0 . .
C C113 0.8434(5) 0.9111(6) 0.3607(3) 0.040(3) Uani d . . . 1.0 . .
C C114 0.8541(6) 0.8755(6) 0.3431(4) 0.055(4) Uani d . . . 1.0 . .
H H114 0.89112 0.890077 0.334189 0.065 Uiso calc U . R 1.0 . .
C C115 0.8096(9) 0.8181(8) 0.3387(5) 0.080(6) Uani d . . . 1.0 . .
H H115 0.816503 0.793405 0.326727 0.096 Uiso calc U . R 1.0 . .
C C116 0.7576(8) 0.7970(7) 0.3508(5) 0.071(5) Uani d . . . 1.0 . .
H H116 0.727919 0.757732 0.347257 0.085 Uiso calc U . R 1.0 . .
C C117 0.7459(7) 0.8314(8) 0.3685(4) 0.066(5) Uani d . . . 1.0 . .
H H117 0.708655 0.815647 0.377208 0.08 Uiso calc U . R 1.0 . .
C C118 0.7886(7) 0.8886(7) 0.3735(4) 0.053(4) Uani d . . . 1.0 . .
H H118 0.780934 0.912599 0.385593 0.063 Uiso calc U . R 1.0 . .
C C119 0.9018(6) 1.0036(6) 0.3997(4) 0.048(4) Uani d . . . 1.0 . .
C C120 0.9015(7) 0.9664(7) 0.4203(4) 0.057(4) Uani d . . . 1.0 . .
H H120 0.896871 0.929687 0.414652 0.068 Uiso calc U . R 1.0 . .
C C121 0.9076(7) 0.9796(9) 0.4490(4) 0.064(5) Uani d . . . 1.0 . .
H H121 0.90592 0.952265 0.462407 0.077 Uiso calc U . R 1.0 . .
C C122 0.9162(7) 1.0349(8) 0.4571(4) 0.060(4) Uani d . . . 1.0 . .
H H122 0.919526 1.044751 0.476369 0.072 Uiso calc U . R 1.0 . .
C C123 0.9196(8) 1.0731(7) 0.4381(4) 0.069(5) Uani d . . . 1.0 . .
H H123 0.927077 1.110732 0.443833 0.082 Uiso calc U . R 1.0 . .
C C124 0.9125(6) 1.0586(7) 0.4100(4) 0.050(4) Uani d . . . 1.0 . .
H H124 0.914847 1.08692 0.396958 0.06 Uiso calc U . R 1.0 . .
C C125 0.8710(7) 1.0253(7) 0.3455(4) 0.053(4) Uani d . . . 1.0 . .
C C126 0.8881(8) 1.0410(7) 0.3185(5) 0.073(6) Uani d . . . 1.0 . .
H H126 0.916303 1.033087 0.310261 0.088 Uiso calc U . R 1.0 . .
C C127 0.8636(10) 1.0692(7) 0.3027(5) 0.083(7) Uani d . . . 1.0 . .
H H127 0.875835 1.080092 0.283872 0.1 Uiso calc U . R 1.0 . .
C C128 0.8240(10) 1.0806(8) 0.3136(6) 0.092(8) Uani d . . . 1.0 . .
H H128 0.807706 1.099182 0.302787 0.11 Uiso calc U . R 1.0 . .
C C129 0.8072(9) 1.0648(9) 0.3408(6) 0.087(7) Uani d . . . 1.0 . .
H H129 0.77919 1.072963 0.348896 0.105 Uiso calc U . R 1.0 . .
C C130 0.8307(8) 1.0368(7) 0.3568(4) 0.061(4) Uani d . . . 1.0 . .
H H130 0.818244 1.025898 0.375523 0.073 Uiso calc U . R 1.0 . .
B B1 0 0 0.5370(7) 0.056(8) Uani d T P S 1.0 . .
F F1 0 0 0.5107(5) 0.139(10) Uani d T P S 1.0 . .
F F2 0.0556(5) 0.0342(5) 0.5482(3) 0.096(4) Uani d . . . 1.0 . .
F F3A 0.7818(14) 0.1404(17) 0.4473(5) 0.074(8) Uiso d . P G 0.301(18) A 1
F F4A 0.8012(19) 0.1990(11) 0.4092(9) 0.120(12) Uiso d . P G 0.301(18) A 1
F F5A 0.8121(17) 0.1193(19) 0.4067(8) 0.097(10) Uiso d . P G 0.301(18) A 1
F F6A 0.7213(12) 0.1080(17) 0.4099(7) 0.086(9) Uiso d . P G 0.301(18) A 1
B B2A 0.7797(10) 0.1419(10) 0.4185(5) 0.065(11) Uiso d . P G 0.301(18) A 1
F F3B 0.7944(19) 0.1227(19) 0.4418(7) 0.074(8) Uiso d . P G 0.238(19) B 2
F F4B 0.783(2) 0.1884(18) 0.4155(11) 0.120(12) Uiso d . P G 0.238(19) B 2
F F5B 0.8324(17) 0.146(2) 0.3978(9) 0.097(10) Uiso d . P G 0.238(19) B 2
F F6B 0.7343(16) 0.0920(18) 0.4042(9) 0.086(9) Uiso d . P G 0.238(19) B 2
B B2B 0.7866(13) 0.1375(12) 0.4151(6) 0.065(11) Uiso d . P G 0.238(19) B 2
F F3C 0.813(3) 0.195(3) 0.4000(14) 0.074(8) Uiso d . P G 0.129(12) C 3
F F4C 0.766(4) 0.103(2) 0.418(2) 0.120(12) Uiso d . P G 0.129(12) C 3
F F5C 0.794(3) 0.180(4) 0.4466(12) 0.097(10) Uiso d . P G 0.129(12) C 3
F F6C 0.720(2) 0.155(4) 0.4157(16) 0.086(9) Uiso d . P G 0.129(12) C 3
B B2C 0.774(2) 0.159(2) 0.4201(11) 0.065(11) Uiso d . P G 0.129(12) C 3


_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_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Ag1 Ag4 2_665 2.9926(11) ?
Ag1 Ag4 3_565 2.9926(10) ?
Ag1 Ag4 . 2.9926(11) ?
Ag1 Ag2 . 3.0064(18) ?
Ag1 Ag2 2_665 3.0064(17) ?
Ag1 Ag2 3_565 3.0064(17) ?
Ag1 Ag5 . 3.0072(16) ?
Ag1 Ag5 2_665 3.0073(16) ?
Ag1 Ag5 3_565 3.0073(16) ?
Ag1 Ag3 . 3.0194(10) ?
Ag1 Ag3 2_665 3.0195(10) ?
Ag1 Ag3 3_565 3.0195(11) ?
Ag2 C1 . 2.383(13) ?
Ag2 Cl2 2_665 2.810(3) ?
Ag2 Ag2 3_565 2.8253(16) ?
Ag2 Ag2 2_665 2.8254(17) ?
Ag2 Cu1 . 2.8423(17) ?
Ag2 Ag4 . 3.3277(15) ?
Ag2 Ag3 . 3.3454(15) ?
Ag3 C21 . 2.372(13) ?
Ag3 Cl2 . 2.812(3) ?
Ag3 Cu1 . 2.8286(17) ?
Ag3 Ag5 3_565 2.8312(14) ?
Ag3 Ag4 3_565 2.8316(13) ?
Ag3 Ag4 . 3.3152(14) ?
Ag4 C11 . 2.384(12) ?
Ag4 Cl1 . 2.794(3) ?
Ag4 Ag5 . 2.8384(14) ?
Ag4 Cu1 . 2.8613(18) ?
Ag5 C31 . 2.406(12) ?
Ag5 Cl1 2_665 2.810(3) ?
Ag5 Cu2 . 2.875(2) ?
Ag5 Ag5 2_665 3.2974(17) ?
Ag5 Ag5 3_565 3.2974(17) ?
Ag6 P1 . 2.407(3) ?
Ag6 C1 . 2.414(13) ?
Ag6 C21 . 2.454(13) ?
Ag6 Cu1 . 2.7397(18) ?
Ag6 Cl2 . 2.771(3) ?
Ag7 C11 . 2.375(13) ?
Ag7 P2 . 2.393(3) ?
Ag7 C1 . 2.453(13) ?
Ag7 Cu1 . 2.7225(17) ?
Ag7 Cl2 2_665 2.814(3) ?
Ag8 C21 . 2.393(13) ?
Ag8 P3 . 2.395(3) ?
Ag8 C11 . 2.439(12) ?
Ag8 Cu1 . 2.7176(18) ?
Ag8 Cl1 . 2.860(3) ?
Ag9 C31 . 2.379(11) ?
Ag9 P4 . 2.409(3) ?
Ag9 C31 3_565 2.483(11) ?
Ag9 Cu2 . 2.7413(12) ?
Ag9 Cl1 . 2.755(3) ?
Ag10 P5 3_675 2.516(4) ?
Ag10 P5 2_765 2.516(3) ?
Ag10 P5 . 2.516(3) ?
Ag10 Cl3 . 2.603(8) ?
Cu1 C21 . 1.987(13) ?
Cu1 C1 . 2.002(13) ?
Cu1 C11 . 2.010(12) ?
Cu2 C31 2_665 1.982(11) ?
Cu2 C31 . 1.982(11) ?
Cu2 C31 3_565 1.982(11) ?
P1 C53 . 1.812(13) ?
P1 C41 . 1.812(14) ?
P1 C47 . 1.837(15) ?
P2 C65 . 1.815(14) ?
P2 C71 . 1.821(14) ?
P2 C59 . 1.834(13) ?
P3 C77 . 1.808(14) ?
P3 C89 . 1.816(17) ?
P3 C83 . 1.824(14) ?
P4 C101 . 1.825(14) ?
P4 C107 . 1.829(15) ?
P4 C95 . 1.832(13) ?
P5 C119 . 1.763(17) ?
P5 C113 . 1.825(14) ?
P5 C125 . 1.832(17) ?
C1 C2 . 1.220(19) ?
C2 C3 . 1.46(2) ?
C3 C8 . 1.344(19) ?
C3 C4 . 1.38(2) ?
C4 C5 . 1.38(2) ?
C4 H4 . 0.95 ?
C5 C6 . 1.37(3) ?
C5 H5 . 0.95 ?
C6 C7 . 1.40(3) ?
C6 C9 . 1.53(2) ?
C7 C8 . 1.42(2) ?
C7 H7 . 0.95 ?
C8 H8 . 0.95 ?
C9 H9A . 0.98 ?
C9 H9B . 0.98 ?
C9 H9C . 0.98 ?
C11 C12 . 1.203(17) ?
C12 C13 . 1.496(19) ?
C13 C18 . 1.34(2) ?
C13 C14 . 1.40(2) ?
C14 C15 . 1.39(2) ?
C14 H14 . 0.95 ?
C15 C16 . 1.40(3) ?
C15 H15 . 0.95 ?
C16 C17 . 1.36(3) ?
C16 C19 . 1.51(2) ?
C17 C18 . 1.41(2) ?
C17 H17 . 0.95 ?
C18 H18 . 0.95 ?
C19 H19A . 0.98 ?
C19 H19B . 0.98 ?
C19 H19C . 0.98 ?
C21 C22 . 1.230(18) ?
C22 C23 . 1.42(2) ?
C23 C24 . 1.40(2) ?
C23 C28 . 1.42(2) ?
C24 C25 . 1.37(2) ?
C24 H24 . 0.95 ?
C25 C26 . 1.46(3) ?
C25 H25 . 0.95 ?
C26 C27 . 1.36(3) ?
C26 C29 . 1.52(3) ?
C27 C28 . 1.38(2) ?
C27 H27 . 0.95 ?
C28 H28 . 0.95 ?
C29 H29A . 0.98 ?
C29 H29B . 0.98 ?
C29 H29C . 0.98 ?
C31 C32 . 1.234(18) ?
C32 C33 . 1.43(2) ?
C33 C38 . 1.36(2) ?
C33 C34 . 1.40(2) ?
C34 C35 . 1.36(3) ?
C34 H34 . 0.95 ?
C35 C36 . 1.42(3) ?
C35 H35 . 0.95 ?
C36 C37 . 1.39(3) ?
C36 C39 . 1.53(3) ?
C37 C38 . 1.42(2) ?
C37 H37 . 0.95 ?
C38 H38 . 0.95 ?
C39 H39A . 0.98 ?
C39 H39B . 0.98 ?
C39 H39C . 0.98 ?
C41 C46 . 1.37(2) ?
C41 C42 . 1.42(2) ?
C42 C43 . 1.38(2) ?
C42 H42 . 0.95 ?
C43 C44 . 1.38(3) ?
C43 H43 . 0.95 ?
C44 C45 . 1.40(3) ?
C44 H44 . 0.95 ?
C45 C46 . 1.39(2) ?
C45 H45 . 0.95 ?
C46 H46 . 0.95 ?
C47 C52 . 1.37(2) ?
C47 C48 . 1.401(18) ?
C48 C49 . 1.39(2) ?
C48 H48 . 0.95 ?
C49 C50 . 1.37(2) ?
C49 H49 . 0.95 ?
C50 C51 . 1.37(2) ?
C50 H50 . 0.95 ?
C51 C52 . 1.38(2) ?
C51 H51 . 0.95 ?
C52 H52 . 0.95 ?
C53 C54 . 1.408(19) ?
C53 C58 . 1.41(2) ?
C54 C55 . 1.39(2) ?
C54 H54 . 0.95 ?
C55 C56 . 1.36(3) ?
C55 H55 . 0.95 ?
C56 C57 . 1.35(3) ?
C56 H56 . 0.95 ?
C57 C58 . 1.34(2) ?
C57 H57 . 0.95 ?
C58 H58 . 0.95 ?
C59 C64 . 1.382(18) ?
C59 C60 . 1.39(2) ?
C60 C61 . 1.33(2) ?
C60 H60 . 0.95 ?
C61 C62 . 1.39(2) ?
C61 H61 . 0.95 ?
C62 C63 . 1.38(2) ?
C62 H62 . 0.95 ?
C63 C64 . 1.37(2) ?
C63 H63 . 0.95 ?
C64 H64 . 0.95 ?
C65 C66 . 1.362(19) ?
C65 C70 . 1.374(19) ?
C66 C67 . 1.35(2) ?
C66 H66 . 0.95 ?
C67 C68 . 1.41(3) ?
C67 H67 . 0.95 ?
C68 C69 . 1.35(2) ?
C68 H68 . 0.95 ?
C69 C70 . 1.42(2) ?
C69 H69 . 0.95 ?
C70 H70 . 0.95 ?
C71 C72 . 1.38(2) ?
C71 C76 . 1.41(2) ?
C72 C73 . 1.40(2) ?
C72 H72 . 0.95 ?
C73 C74 . 1.33(3) ?
C73 H73 . 0.95 ?
C74 C75 . 1.41(3) ?
C74 H74 . 0.95 ?
C75 C76 . 1.30(2) ?
C75 H75 . 0.95 ?
C76 H76 . 0.95 ?
C77 C78 . 1.38(2) ?
C77 C82 . 1.39(2) ?
C78 C79 . 1.43(2) ?
C78 H78 . 0.95 ?
C79 C80 . 1.35(3) ?
C79 H79 . 0.95 ?
C80 C81 . 1.35(3) ?
C80 H80 . 0.95 ?
C81 C82 . 1.37(2) ?
C81 H81 . 0.95 ?
C82 H82 . 0.95 ?
C83 C84 . 1.35(2) ?
C83 C88 . 1.39(2) ?
C84 C85 . 1.38(2) ?
C84 H84 . 0.95 ?
C85 C86 . 1.35(3) ?
C85 H85 . 0.95 ?
C86 C87 . 1.38(3) ?
C86 H86 . 0.95 ?
C87 C88 . 1.34(2) ?
C87 H87 . 0.95 ?
C88 H88 . 0.95 ?
C89 C90 . 1.339(19) ?
C89 C94 . 1.40(2) ?
C90 C91 . 1.38(2) ?
C90 H90 . 0.95 ?
C91 C92 . 1.40(2) ?
C91 H91 . 0.95 ?
C92 C93 . 1.36(2) ?
C92 H92 . 0.95 ?
C93 C94 . 1.40(2) ?
C93 H93 . 0.95 ?
C94 H94 . 0.95 ?
C95 C96 . 1.318(19) ?
C95 C100 . 1.413(19) ?
C96 C97 . 1.37(2) ?
C96 H96 . 0.95 ?
C97 C98 . 1.38(2) ?
C97 H97 . 0.95 ?
C98 C99 . 1.39(2) ?
C98 H98 . 0.95 ?
C99 C100 . 1.41(2) ?
C99 H99 . 0.95 ?
C100 H100 . 0.95 ?
C101 C102 . 1.35(2) ?
C101 C106 . 1.402(19) ?
C102 C103 . 1.38(2) ?
C102 H102 . 0.95 ?
C103 C104 . 1.35(2) ?
C103 H103 . 0.95 ?
C104 C105 . 1.34(2) ?
C104 H104 . 0.95 ?
C105 C106 . 1.36(2) ?
C105 H105 . 0.95 ?
C106 H106 . 0.95 ?
C107 C112 . 1.37(2) ?
C107 C108 . 1.388(19) ?
C108 C109 . 1.44(2) ?
C108 H108 . 0.95 ?
C109 C110 . 1.31(2) ?
C109 H109 . 0.95 ?
C110 C111 . 1.43(2) ?
C110 H110 . 0.95 ?
C111 C112 . 1.40(2) ?
C111 H111 . 0.95 ?
C112 H112 . 0.95 ?
C113 C114 . 1.39(2) ?
C113 C118 . 1.40(2) ?
C114 C115 . 1.39(2) ?
C114 H114 . 0.95 ?
C115 C116 . 1.33(3) ?
C115 H115 . 0.95 ?
C116 C117 . 1.38(3) ?
C116 H116 . 0.95 ?
C117 C118 . 1.38(2) ?
C117 H117 . 0.95 ?
C118 H118 . 0.95 ?
C119 C120 . 1.39(2) ?
C119 C124 . 1.42(2) ?
C120 C121 . 1.41(2) ?
C120 H120 . 0.95 ?
C121 C122 . 1.41(3) ?
C121 H121 . 0.95 ?
C122 C123 . 1.33(3) ?
C122 H122 . 0.95 ?
C123 C124 . 1.39(2) ?
C123 H123 . 0.95 ?
C124 H124 . 0.95 ?
C125 C130 . 1.35(2) ?
C125 C126 . 1.37(3) ?
C126 C127 . 1.42(3) ?
C126 H126 . 0.95 ?
C127 C128 . 1.33(3) ?
C127 H127 . 0.95 ?
C128 C129 . 1.37(4) ?
C128 H128 . 0.95 ?
C129 C130 . 1.40(2) ?
C129 H129 . 0.95 ?
C130 H130 . 0.95 ?
B1 F1 . 1.26(4) ?
B1 F2 . 1.386(17) ?
B1 F2 3 1.386(17) ?
B1 F2 2 1.386(17) ?
F3A B2A . 1.3815 ?
F4A B2A . 1.3893 ?
F5A B2A . 1.3842 ?
F6A B2A . 1.3987 ?
F3B B2B . 1.3816 ?
F4B B2B . 1.3893 ?
F5B B2B . 1.3842 ?
F6B B2B . 1.3986 ?
F3C B2C . 1.3816 ?
F4C B2C . 1.3893 ?
F5C B2C . 1.3842 ?
F6C B2C . 1.3986 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
Ag4 Ag1 Ag4 2_665 3_565 117.24(2) ?
Ag4 Ag1 Ag4 2_665 . 117.24(2) ?
Ag4 Ag1 Ag4 3_565 . 117.24(2) ?
Ag4 Ag1 Ag2 2_665 . 119.29(5) ?
Ag4 Ag1 Ag2 3_565 . 108.58(4) ?
Ag4 Ag1 Ag2 . . 67.38(3) ?
Ag4 Ag1 Ag2 2_665 2_665 67.38(3) ?
Ag4 Ag1 Ag2 3_565 2_665 119.29(5) ?
Ag4 Ag1 Ag2 . 2_665 108.58(4) ?
Ag2 Ag1 Ag2 . 2_665 56.05(4) ?
Ag4 Ag1 Ag2 2_665 3_565 108.58(4) ?
Ag4 Ag1 Ag2 3_565 3_565 67.38(3) ?
Ag4 Ag1 Ag2 . 3_565 119.29(5) ?
Ag2 Ag1 Ag2 . 3_565 56.05(4) ?
Ag2 Ag1 Ag2 2_665 3_565 56.05(4) ?
Ag4 Ag1 Ag5 2_665 . 71.54(4) ?
Ag4 Ag1 Ag5 3_565 . 118.63(6) ?
Ag4 Ag1 Ag5 . . 56.47(3) ?
Ag2 Ag1 Ag5 . . 117.93(3) ?
Ag2 Ag1 Ag5 2_665 . 119.27(3) ?
Ag2 Ag1 Ag5 3_565 . 173.48(5) ?
Ag4 Ag1 Ag5 2_665 2_665 56.47(3) ?
Ag4 Ag1 Ag5 3_565 2_665 71.54(4) ?
Ag4 Ag1 Ag5 . 2_665 118.62(6) ?
Ag2 Ag1 Ag5 . 2_665 173.48(4) ?
Ag2 Ag1 Ag5 2_665 2_665 117.93(3) ?
Ag2 Ag1 Ag5 3_565 2_665 119.27(3) ?
Ag5 Ag1 Ag5 . 2_665 66.49(4) ?
Ag4 Ag1 Ag5 2_665 3_565 118.62(6) ?
Ag4 Ag1 Ag5 3_565 3_565 56.47(3) ?
Ag4 Ag1 Ag5 . 3_565 71.54(4) ?
Ag2 Ag1 Ag5 . 3_565 119.27(3) ?
Ag2 Ag1 Ag5 2_665 3_565 173.48(4) ?
Ag2 Ag1 Ag5 3_565 3_565 117.93(3) ?
Ag5 Ag1 Ag5 . 3_565 66.49(4) ?
Ag5 Ag1 Ag5 2_665 3_565 66.49(4) ?
Ag4 Ag1 Ag3 2_665 . 172.78(5) ?
Ag4 Ag1 Ag3 3_565 . 56.20(3) ?
Ag4 Ag1 Ag3 . . 66.93(3) ?
Ag2 Ag1 Ag3 . . 67.45(3) ?
Ag2 Ag1 Ag3 2_665 . 117.74(6) ?
Ag2 Ag1 Ag3 3_565 . 72.49(4) ?
Ag5 Ag1 Ag3 . . 108.25(4) ?
Ag5 Ag1 Ag3 2_665 . 116.56(4) ?
Ag5 Ag1 Ag3 3_565 . 56.04(3) ?
Ag4 Ag1 Ag3 2_665 2_665 66.92(3) ?
Ag4 Ag1 Ag3 3_565 2_665 172.77(5) ?
Ag4 Ag1 Ag3 . 2_665 56.19(3) ?
Ag2 Ag1 Ag3 . 2_665 72.50(4) ?
Ag2 Ag1 Ag3 2_665 2_665 67.45(3) ?
Ag2 Ag1 Ag3 3_565 2_665 117.74(6) ?
Ag5 Ag1 Ag3 . 2_665 56.03(3) ?
Ag5 Ag1 Ag3 2_665 2_665 108.25(4) ?
Ag5 Ag1 Ag3 3_565 2_665 116.56(4) ?
Ag3 Ag1 Ag3 . 2_665 119.255(12) ?
Ag4 Ag1 Ag3 2_665 3_565 56.19(3) ?
Ag4 Ag1 Ag3 3_565 3_565 66.92(3) ?
Ag4 Ag1 Ag3 . 3_565 172.77(5) ?
Ag2 Ag1 Ag3 . 3_565 117.74(6) ?
Ag2 Ag1 Ag3 2_665 3_565 72.49(4) ?
Ag2 Ag1 Ag3 3_565 3_565 67.45(3) ?
Ag5 Ag1 Ag3 . 3_565 116.56(4) ?
Ag5 Ag1 Ag3 2_665 3_565 56.03(3) ?
Ag5 Ag1 Ag3 3_565 3_565 108.25(4) ?
Ag3 Ag1 Ag3 . 3_565 119.253(15) ?
Ag3 Ag1 Ag3 2_665 3_565 119.255(12) ?
C1 Ag2 Cl2 . 2_665 92.4(3) ?
C1 Ag2 Ag2 . 3_565 120.2(3) ?
Cl2 Ag2 Ag2 2_665 3_565 143.37(7) ?
C1 Ag2 Ag2 . 2_665 157.6(3) ?
Cl2 Ag2 Ag2 2_665 2_665 83.45(7) ?
Ag2 Ag2 Ag2 3_565 2_665 60.001(6) ?
C1 Ag2 Cu1 . . 44.0(3) ?
Cl2 Ag2 Cu1 2_665 . 94.93(6) ?
Ag2 Ag2 Cu1 3_565 . 119.72(6) ?
Ag2 Ag2 Cu1 2_665 . 158.16(4) ?
C1 Ag2 Ag1 . . 139.9(3) ?
Cl2 Ag2 Ag1 2_665 . 104.62(6) ?
Ag2 Ag2 Ag1 3_565 . 61.97(2) ?
Ag2 Ag2 Ag1 2_665 . 61.97(2) ?
Cu1 Ag2 Ag1 . . 97.76(5) ?
C1 Ag2 Ag4 . . 95.7(3) ?
Cl2 Ag2 Ag4 2_665 . 74.85(6) ?
Ag2 Ag2 Ag4 3_565 . 114.32(2) ?
Ag2 Ag2 Ag4 2_665 . 104.38(3) ?
Cu1 Ag2 Ag4 . . 54.57(4) ?
Ag1 Ag2 Ag4 . . 56.11(3) ?
C1 Ag2 Ag3 . . 85.5(3) ?
Cl2 Ag2 Ag3 2_665 . 133.84(7) ?
Ag2 Ag2 Ag3 3_565 . 69.95(4) ?
Ag2 Ag2 Ag3 2_665 . 113.15(3) ?
Cu1 Ag2 Ag3 . . 53.66(4) ?
Ag1 Ag2 Ag3 . . 56.46(3) ?
Ag4 Ag2 Ag3 . . 59.58(3) ?
C21 Ag3 Cl2 . . 91.6(3) ?
C21 Ag3 Cu1 . . 43.8(3) ?
Cl2 Ag3 Cu1 . . 93.97(7) ?
C21 Ag3 Ag5 . 3_565 121.3(3) ?
Cl2 Ag3 Ag5 . 3_565 143.46(7) ?
Cu1 Ag3 Ag5 . 3_565 120.29(5) ?
C21 Ag3 Ag4 . 3_565 158.3(3) ?
Cl2 Ag3 Ag4 . 3_565 83.35(6) ?
Cu1 Ag3 Ag4 . 3_565 157.23(5) ?
Ag5 Ag3 Ag4 3_565 3_565 60.17(4) ?
C21 Ag3 Ag1 . . 140.0(3) ?
Cl2 Ag3 Ag1 . . 104.23(7) ?
Cu1 Ag3 Ag1 . . 97.76(4) ?
Ag5 Ag3 Ag1 3_565 . 61.76(4) ?
Ag4 Ag3 Ag1 3_565 . 61.42(3) ?
C21 Ag3 Ag4 . . 86.4(3) ?
Cl2 Ag3 Ag4 . . 133.95(7) ?
Cu1 Ag3 Ag4 . . 54.82(4) ?
Ag5 Ag3 Ag4 3_565 . 69.07(3) ?
Ag4 Ag3 Ag4 3_565 . 112.22(5) ?
Ag1 Ag3 Ag4 . . 56.15(2) ?
C21 Ag3 Ag2 . . 95.0(3) ?
Cl2 Ag3 Ag2 . . 74.48(6) ?
Cu1 Ag3 Ag2 . . 54.04(4) ?
Ag5 Ag3 Ag2 3_565 . 114.03(4) ?
Ag4 Ag3 Ag2 3_565 . 103.79(4) ?
Ag1 Ag3 Ag2 . . 56.09(4) ?
Ag4 Ag3 Ag2 . . 59.95(3) ?
C11 Ag4 Cl1 . . 91.1(3) ?
C11 Ag4 Ag3 . 2_665 120.2(3) ?
Cl1 Ag4 Ag3 . 2_665 144.13(7) ?
C11 Ag4 Ag5 . . 157.8(3) ?
Cl1 Ag4 Ag5 . . 84.42(6) ?
Ag3 Ag4 Ag5 2_665 . 59.91(4) ?
C11 Ag4 Cu1 . . 43.9(3) ?
Cl1 Ag4 Cu1 . . 93.85(7) ?
Ag3 Ag4 Cu1 2_665 . 120.43(5) ?
Ag5 Ag4 Cu1 . . 157.92(5) ?
C11 Ag4 Ag1 . . 139.6(3) ?
Cl1 Ag4 Ag1 . . 105.88(7) ?
Ag3 Ag4 Ag1 2_665 . 62.38(3) ?
Ag5 Ag4 Ag1 . . 62.03(4) ?
Cu1 Ag4 Ag1 . . 97.66(5) ?
C11 Ag4 Ag3 . . 94.9(3) ?
Cl1 Ag4 Ag3 . . 74.65(6) ?
Ag3 Ag4 Ag3 2_665 . 115.68(5) ?
Ag5 Ag4 Ag3 . . 104.78(4) ?
Cu1 Ag4 Ag3 . . 53.91(4) ?
Ag1 Ag4 Ag3 . . 56.92(3) ?
C11 Ag4 Ag2 . . 85.3(3) ?
Cl1 Ag4 Ag2 . . 134.41(7) ?
Ag3 Ag4 Ag2 2_665 . 70.16(4) ?
Ag5 Ag4 Ag2 . . 113.13(4) ?
Cu1 Ag4 Ag2 . . 54.04(4) ?
Ag1 Ag4 Ag2 . . 56.51(4) ?
Ag3 Ag4 Ag2 . . 60.48(3) ?
C31 Ag5 Cl1 . 2_665 92.3(3) ?
C31 Ag5 Ag3 . 2_665 156.8(3) ?
Cl1 Ag5 Ag3 2_665 2_665 82.71(6) ?
C31 Ag5 Ag4 . . 120.7(3) ?
Cl1 Ag5 Ag4 2_665 . 142.54(7) ?
Ag3 Ag5 Ag4 2_665 . 59.93(4) ?
C31 Ag5 Cu2 . . 42.9(3) ?
Cl1 Ag5 Cu2 2_665 . 95.61(6) ?
Ag3 Ag5 Cu2 2_665 . 159.82(6) ?
Ag4 Ag5 Cu2 . . 120.24(4) ?
C31 Ag5 Ag1 . . 140.5(3) ?
Cl1 Ag5 Ag1 2_665 . 105.09(6) ?
Ag3 Ag5 Ag1 2_665 . 62.20(4) ?
Ag4 Ag5 Ag1 . . 61.51(3) ?
Cu2 Ag5 Ag1 . . 99.27(5) ?
C31 Ag5 Ag5 . 2_665 95.2(3) ?
Cl1 Ag5 Ag5 2_665 2_665 76.11(7) ?
Ag3 Ag5 Ag5 2_665 2_665 105.41(3) ?
Ag4 Ag5 Ag5 . 2_665 114.26(3) ?
Cu2 Ag5 Ag5 . 2_665 55.01(3) ?
Ag1 Ag5 Ag5 . 2_665 56.75(2) ?
C31 Ag5 Ag5 . 3_565 86.0(3) ?
Cl1 Ag5 Ag5 2_665 3_565 135.65(7) ?
Ag3 Ag5 Ag5 2_665 3_565 113.33(3) ?
Ag4 Ag5 Ag5 . 3_565 69.25(4) ?
Cu2 Ag5 Ag5 . 3_565 55.01(3) ?
Ag1 Ag5 Ag5 . 3_565 56.75(2) ?
Ag5 Ag5 Ag5 2_665 3_565 60.001(9) ?
P1 Ag6 C1 . . 133.6(3) ?
P1 Ag6 C21 . . 118.5(3) ?
C1 Ag6 C21 . . 89.7(4) ?
P1 Ag6 Cu1 . . 144.16(10) ?
C1 Ag6 Cu1 . . 45.2(3) ?
C21 Ag6 Cu1 . . 44.6(3) ?
P1 Ag6 Cl2 . . 116.68(10) ?
C1 Ag6 Cl2 . . 97.3(3) ?
C21 Ag6 Cl2 . . 90.9(3) ?
Cu1 Ag6 Cl2 . . 96.91(7) ?
C11 Ag7 P2 . . 135.9(3) ?
C11 Ag7 C1 . . 90.9(4) ?
P2 Ag7 C1 . . 117.3(3) ?
C11 Ag7 Cu1 . . 45.8(3) ?
P2 Ag7 Cu1 . . 145.08(10) ?
C1 Ag7 Cu1 . . 45.1(3) ?
C11 Ag7 Cl2 . 2_665 97.1(3) ?
P2 Ag7 Cl2 . 2_665 114.32(10) ?
C1 Ag7 Cl2 . 2_665 90.9(3) ?
Cu1 Ag7 Cl2 . 2_665 97.57(7) ?
C21 Ag8 P3 . . 136.4(3) ?
C21 Ag8 C11 . . 90.5(4) ?
P3 Ag8 C11 . . 117.6(3) ?
C21 Ag8 Cu1 . . 45.2(3) ?
P3 Ag8 Cu1 . . 144.81(10) ?
C11 Ag8 Cu1 . . 45.5(3) ?
C21 Ag8 Cl1 . . 95.3(3) ?
P3 Ag8 Cl1 . . 116.61(11) ?
C11 Ag8 Cl1 . . 88.5(3) ?
Cu1 Ag8 Cl1 . . 95.55(7) ?
C31 Ag9 P4 . . 133.5(3) ?
C31 Ag9 C31 . 3_565 89.1(5) ?
P4 Ag9 C31 . 3_565 116.6(3) ?
C31 Ag9 Cu2 . . 44.9(3) ?
P4 Ag9 Cu2 . . 142.04(11) ?
C31 Ag9 Cu2 3_565 . 44.3(3) ?
C31 Ag9 Cl1 . . 101.4(3) ?
P4 Ag9 Cl1 . . 114.72(10) ?
C31 Ag9 Cl1 3_565 . 92.0(3) ?
Cu2 Ag9 Cl1 . . 100.07(8) ?
P5 Ag10 P5 3_675 2_765 112.04(9) ?
P5 Ag10 P5 3_675 . 112.04(9) ?
P5 Ag10 P5 2_765 . 112.04(9) ?
P5 Ag10 Cl3 3_675 . 106.76(10) ?
P5 Ag10 Cl3 2_765 . 106.76(10) ?
P5 Ag10 Cl3 . . 106.76(10) ?
C21 Cu1 C1 . . 118.8(5) ?
C21 Cu1 C11 . . 118.4(5) ?
C1 Cu1 C11 . . 118.1(5) ?
C21 Cu1 Ag8 . . 58.7(4) ?
C1 Cu1 Ag8 . . 153.9(4) ?
C11 Cu1 Ag8 . . 59.9(3) ?
C21 Cu1 Ag7 . . 155.5(4) ?
C1 Cu1 Ag7 . . 60.3(4) ?
C11 Cu1 Ag7 . . 57.9(4) ?
Ag8 Cu1 Ag7 . . 110.17(6) ?
C21 Cu1 Ag6 . . 60.1(4) ?
C1 Cu1 Ag6 . . 58.8(4) ?
C11 Cu1 Ag6 . . 156.4(3) ?
Ag8 Cu1 Ag6 . . 111.42(6) ?
Ag7 Cu1 Ag6 . . 112.52(6) ?
C21 Cu1 Ag3 . . 55.8(4) ?
C1 Cu1 Ag3 . . 108.6(4) ?
C11 Cu1 Ag3 . . 121.7(4) ?
Ag8 Cu1 Ag3 . . 91.25(5) ?
Ag7 Cu1 Ag3 . . 148.57(6) ?
Ag6 Cu1 Ag3 . . 78.25(5) ?
C21 Cu1 Ag2 . . 123.2(4) ?
C1 Cu1 Ag2 . . 55.7(4) ?
C11 Cu1 Ag2 . . 107.0(3) ?
Ag8 Cu1 Ag2 . . 149.85(7) ?
Ag7 Cu1 Ag2 . . 78.05(5) ?
Ag6 Cu1 Ag2 . . 90.26(5) ?
Ag3 Cu1 Ag2 . . 72.30(4) ?
C21 Cu1 Ag4 . . 107.9(4) ?
C1 Cu1 Ag4 . . 122.3(4) ?
C11 Cu1 Ag4 . . 55.3(3) ?
Ag8 Cu1 Ag4 . . 79.53(5) ?
Ag7 Cu1 Ag4 . . 89.74(5) ?
Ag6 Cu1 Ag4 . . 147.93(6) ?
Ag3 Cu1 Ag4 . . 71.27(4) ?
Ag2 Cu1 Ag4 . . 71.38(4) ?
C31 Cu2 C31 2_665 . 118.79(13) ?
C31 Cu2 C31 2_665 3_565 118.78(13) ?
C31 Cu2 C31 . 3_565 118.78(13) ?
C31 Cu2 Ag9 2_665 . 159.7(4) ?
C31 Cu2 Ag9 . . 57.9(3) ?
C31 Cu2 Ag9 3_565 . 60.9(3) ?
C31 Cu2 Ag9 2_665 2_665 57.9(3) ?
C31 Cu2 Ag9 . 2_665 60.9(3) ?
C31 Cu2 Ag9 3_565 2_665 159.7(4) ?
Ag9 Cu2 Ag9 . 2_665 114.45(5) ?
C31 Cu2 Ag9 2_665 3_565 60.9(3) ?
C31 Cu2 Ag9 . 3_565 159.7(4) ?
C31 Cu2 Ag9 3_565 3_565 57.9(3) ?
Ag9 Cu2 Ag9 . 3_565 114.45(4) ?
Ag9 Cu2 Ag9 2_665 3_565 114.45(5) ?
C31 Cu2 Ag5 2_665 2_665 55.8(3) ?
C31 Cu2 Ag5 . 2_665 121.2(3) ?
C31 Cu2 Ag5 3_565 2_665 107.1(3) ?
Ag9 Cu2 Ag5 . 2_665 144.40(9) ?
Ag9 Cu2 Ag5 2_665 2_665 87.52(4) ?
Ag9 Cu2 Ag5 3_565 2_665 76.62(4) ?
C31 Cu2 Ag5 2_665 3_565 121.2(3) ?
C31 Cu2 Ag5 . 3_565 107.1(3) ?
C31 Cu2 Ag5 3_565 3_565 55.8(3) ?
Ag9 Cu2 Ag5 . 3_565 76.63(4) ?
Ag9 Cu2 Ag5 2_665 3_565 144.40(9) ?
Ag9 Cu2 Ag5 3_565 3_565 87.52(4) ?
Ag5 Cu2 Ag5 2_665 3_565 69.97(6) ?
C31 Cu2 Ag5 2_665 . 107.1(3) ?
C31 Cu2 Ag5 . . 55.8(3) ?
C31 Cu2 Ag5 3_565 . 121.2(3) ?
Ag9 Cu2 Ag5 . . 87.53(4) ?
Ag9 Cu2 Ag5 2_665 . 76.63(4) ?
Ag9 Cu2 Ag5 3_565 . 144.40(9) ?
Ag5 Cu2 Ag5 2_665 . 69.97(6) ?
Ag5 Cu2 Ag5 3_565 . 69.97(6) ?
Ag9 Cl1 Ag4 . . 118.58(9) ?
Ag9 Cl1 Ag5 . 3_565 77.50(7) ?
Ag4 Cl1 Ag5 . 3_565 77.48(7) ?
Ag9 Cl1 Ag8 . . 158.63(10) ?
Ag4 Cl1 Ag8 . . 78.31(7) ?
Ag5 Cl1 Ag8 3_565 . 121.16(10) ?
Ag6 Cl2 Ag2 . 3_565 120.87(9) ?
Ag6 Cl2 Ag3 . . 78.03(7) ?
Ag2 Cl2 Ag3 3_565 . 78.66(7) ?
Ag6 Cl2 Ag7 . 3_565 158.19(10) ?
Ag2 Cl2 Ag7 3_565 3_565 77.11(7) ?
Ag3 Cl2 Ag7 . 3_565 120.18(10) ?
C53 P1 C41 . . 104.3(6) ?
C53 P1 C47 . . 103.7(6) ?
C41 P1 C47 . . 104.5(7) ?
C53 P1 Ag6 . . 113.3(4) ?
C41 P1 Ag6 . . 114.2(5) ?
C47 P1 Ag6 . . 115.6(4) ?
C65 P2 C71 . . 104.2(7) ?
C65 P2 C59 . . 103.7(6) ?
C71 P2 C59 . . 103.9(6) ?
C65 P2 Ag7 . . 113.0(5) ?
C71 P2 Ag7 . . 117.1(5) ?
C59 P2 Ag7 . . 113.5(4) ?
C77 P3 C89 . . 106.1(7) ?
C77 P3 C83 . . 102.9(7) ?
C89 P3 C83 . . 105.2(7) ?
C77 P3 Ag8 . . 117.1(5) ?
C89 P3 Ag8 . . 110.7(5) ?
C83 P3 Ag8 . . 113.8(5) ?
C101 P4 C107 . . 105.7(6) ?
C101 P4 C95 . . 104.3(6) ?
C107 P4 C95 . . 104.6(6) ?
C101 P4 Ag9 . . 112.3(4) ?
C107 P4 Ag9 . . 115.9(5) ?
C95 P4 Ag9 . . 113.0(4) ?
C119 P5 C113 . . 104.3(7) ?
C119 P5 C125 . . 105.3(7) ?
C113 P5 C125 . . 100.7(6) ?
C119 P5 Ag10 . . 112.6(4) ?
C113 P5 Ag10 . . 112.3(4) ?
C125 P5 Ag10 . . 119.9(6) ?
C2 C1 Cu1 . . 170.3(11) ?
C2 C1 Ag2 . . 96.8(9) ?
Cu1 C1 Ag2 . . 80.3(5) ?
C2 C1 Ag6 . . 96.6(9) ?
Cu1 C1 Ag6 . . 76.1(4) ?
Ag2 C1 Ag6 . . 111.1(5) ?
C2 C1 Ag7 . . 115.0(10) ?
Cu1 C1 Ag7 . . 74.6(4) ?
Ag2 C1 Ag7 . . 92.9(4) ?
Ag6 C1 Ag7 . . 137.9(5) ?
C1 C2 C3 . . 177.5(15) ?
C8 C3 C4 . . 119.8(14) ?
C8 C3 C2 . . 120.4(13) ?
C4 C3 C2 . . 119.8(12) ?
C3 C4 C5 . . 120.7(16) ?
C3 C4 H4 . . 119.6 ?
C5 C4 H4 . . 119.6 ?
C6 C5 C4 . . 120.9(17) ?
C6 C5 H5 . . 119.6 ?
C4 C5 H5 . . 119.6 ?
C5 C6 C7 . . 118.2(15) ?
C5 C6 C9 . . 122.1(19) ?
C7 C6 C9 . . 119.7(18) ?
C6 C7 C8 . . 119.5(16) ?
C6 C7 H7 . . 120.2 ?
C8 C7 H7 . . 120.2 ?
C3 C8 C7 . . 120.5(15) ?
C3 C8 H8 . . 119.8 ?
C7 C8 H8 . . 119.8 ?
C6 C9 H9A . . 109.5 ?
C6 C9 H9B . . 109.5 ?
H9A C9 H9B . . 109.5 ?
C6 C9 H9C . . 109.5 ?
H9A C9 H9C . . 109.5 ?
H9B C9 H9C . . 109.5 ?
C12 C11 Cu1 . . 167.8(11) ?
C12 C11 Ag7 . . 94.4(9) ?
Cu1 C11 Ag7 . . 76.3(4) ?
C12 C11 Ag4 . . 95.8(9) ?
Cu1 C11 Ag4 . . 80.8(4) ?
Ag7 C11 Ag4 . . 111.8(5) ?
C12 C11 Ag8 . . 117.5(10) ?
Cu1 C11 Ag8 . . 74.6(4) ?
Ag7 C11 Ag8 . . 135.8(5) ?
Ag4 C11 Ag8 . . 95.5(5) ?
C11 C12 C13 . . 178.2(14) ?
C18 C13 C14 . . 120.8(14) ?
C18 C13 C12 . . 120.9(13) ?
C14 C13 C12 . . 118.0(13) ?
C15 C14 C13 . . 119.6(16) ?
C15 C14 H14 . . 120.2 ?
C13 C14 H14 . . 120.2 ?
C14 C15 C16 . . 119.8(18) ?
C14 C15 H15 . . 120.1 ?
C16 C15 H15 . . 120.1 ?
C17 C16 C15 . . 118.5(16) ?
C17 C16 C19 . . 123.(2) ?
C15 C16 C19 . . 119.(2) ?
C16 C17 C18 . . 122.1(17) ?
C16 C17 H17 . . 118.9 ?
C18 C17 H17 . . 118.9 ?
C13 C18 C17 . . 118.9(16) ?
C13 C18 H18 . . 120.6 ?
C17 C18 H18 . . 120.6 ?
C16 C19 H19A . . 109.5 ?
C16 C19 H19B . . 109.5 ?
H19A C19 H19B . . 109.5 ?
C16 C19 H19C . . 109.5 ?
H19A C19 H19C . . 109.5 ?
H19B C19 H19C . . 109.5 ?
C22 C21 Cu1 . . 170.1(12) ?
C22 C21 Ag3 . . 99.9(9) ?
Cu1 C21 Ag3 . . 80.4(5) ?
C22 C21 Ag8 . . 94.9(10) ?
Cu1 C21 Ag8 . . 76.1(4) ?
Ag3 C21 Ag8 . . 112.6(5) ?
C22 C21 Ag6 . . 114.4(10) ?
Cu1 C21 Ag6 . . 75.4(4) ?
Ag3 C21 Ag6 . . 93.5(5) ?
Ag8 C21 Ag6 . . 137.0(5) ?
C21 C22 C23 . . 176.9(16) ?
C24 C23 C28 . . 117.6(15) ?
C24 C23 C22 . . 120.8(14) ?
C28 C23 C22 . . 121.5(15) ?
C25 C24 C23 . . 122.2(18) ?
C25 C24 H24 . . 118.9 ?
C23 C24 H24 . . 118.9 ?
C24 C25 C26 . . 119.1(18) ?
C24 C25 H25 . . 120.4 ?
C26 C25 H25 . . 120.4 ?
C27 C26 C25 . . 118.7(17) ?
C27 C26 C29 . . 120.(2) ?
C25 C26 C29 . . 121.(2) ?
C26 C27 C28 . . 121.3(19) ?
C26 C27 H27 . . 119.3 ?
C28 C27 H27 . . 119.3 ?
C27 C28 C23 . . 121.1(17) ?
C27 C28 H28 . . 119.5 ?
C23 C28 H28 . . 119.5 ?
C26 C29 H29A . . 109.5 ?
C26 C29 H29B . . 109.5 ?
H29A C29 H29B . . 109.5 ?
C26 C29 H29C . . 109.5 ?
H29A C29 H29C . . 109.5 ?
H29B C29 H29C . . 109.5 ?
C32 C31 Cu2 . . 170.1(11) ?
C32 C31 Ag9 . . 95.0(9) ?
Cu2 C31 Ag9 . . 77.3(4) ?
C32 C31 Ag5 . . 95.6(9) ?
Cu2 C31 Ag5 . . 81.2(4) ?
Ag9 C31 Ag5 . . 108.6(4) ?
C32 C31 Ag9 . 2_665 114.7(9) ?
Cu2 C31 Ag9 . 2_665 74.8(4) ?
Ag9 C31 Ag9 . 2_665 142.9(5) ?
Ag5 C31 Ag9 . 2_665 90.9(4) ?
C31 C32 C33 . . 176.8(15) ?
C38 C33 C34 . . 118.9(14) ?
C38 C33 C32 . . 121.5(15) ?
C34 C33 C32 . . 119.6(13) ?
C35 C34 C33 . . 120.4(19) ?
C35 C34 H34 . . 119.8 ?
C33 C34 H34 . . 119.8 ?
C34 C35 C36 . . 121.(2) ?
C34 C35 H35 . . 119.7 ?
C36 C35 H35 . . 119.7 ?
C37 C36 C35 . . 120.1(17) ?
C37 C36 C39 . . 120.(3) ?
C35 C36 C39 . . 119.(3) ?
C36 C37 C38 . . 117.(2) ?
C36 C37 H37 . . 121.4 ?
C38 C37 H37 . . 121.4 ?
C33 C38 C37 . . 122.6(19) ?
C33 C38 H38 . . 118.7 ?
C37 C38 H38 . . 118.7 ?
C36 C39 H39A . . 109.5 ?
C36 C39 H39B . . 109.5 ?
H39A C39 H39B . . 109.5 ?
C36 C39 H39C . . 109.5 ?
H39A C39 H39C . . 109.5 ?
H39B C39 H39C . . 109.5 ?
C46 C41 C42 . . 119.0(14) ?
C46 C41 P1 . . 125.2(12) ?
C42 C41 P1 . . 115.5(11) ?
C43 C42 C41 . . 119.9(15) ?
C43 C42 H42 . . 120.0 ?
C41 C42 H42 . . 120.0 ?
C44 C43 C42 . . 120.8(17) ?
C44 C43 H43 . . 119.6 ?
C42 C43 H43 . . 119.6 ?
C43 C44 C45 . . 118.8(17) ?
C43 C44 H44 . . 120.6 ?
C45 C44 H44 . . 120.6 ?
C46 C45 C44 . . 120.4(18) ?
C46 C45 H45 . . 119.8 ?
C44 C45 H45 . . 119.8 ?
C41 C46 C45 . . 120.9(16) ?
C41 C46 H46 . . 119.6 ?
C45 C46 H46 . . 119.6 ?
C52 C47 C48 . . 119.6(14) ?
C52 C47 P1 . . 118.0(10) ?
C48 C47 P1 . . 122.3(11) ?
C49 C48 C47 . . 118.2(15) ?
C49 C48 H48 . . 120.9 ?
C47 C48 H48 . . 120.9 ?
C50 C49 C48 . . 122.3(15) ?
C50 C49 H49 . . 118.8 ?
C48 C49 H49 . . 118.8 ?
C51 C50 C49 . . 117.9(16) ?
C51 C50 H50 . . 121.0 ?
C49 C50 H50 . . 121.0 ?
C50 C51 C52 . . 121.8(16) ?
C50 C51 H51 . . 119.1 ?
C52 C51 H51 . . 119.1 ?
C47 C52 C51 . . 120.0(14) ?
C47 C52 H52 . . 120.0 ?
C51 C52 H52 . . 120.0 ?
C54 C53 C58 . . 117.3(13) ?
C54 C53 P1 . . 123.2(11) ?
C58 C53 P1 . . 119.5(10) ?
C55 C54 C53 . . 119.0(16) ?
C55 C54 H54 . . 120.5 ?
C53 C54 H54 . . 120.5 ?
C56 C55 C54 . . 121.8(17) ?
C56 C55 H55 . . 119.1 ?
C54 C55 H55 . . 119.1 ?
C57 C56 C55 . . 118.7(17) ?
C57 C56 H56 . . 120.7 ?
C55 C56 H56 . . 120.7 ?
C58 C57 C56 . . 122.7(18) ?
C58 C57 H57 . . 118.6 ?
C56 C57 H57 . . 118.6 ?
C57 C58 C53 . . 120.6(16) ?
C57 C58 H58 . . 119.7 ?
C53 C58 H58 . . 119.7 ?
C64 C59 C60 . . 118.0(13) ?
C64 C59 P2 . . 122.4(11) ?
C60 C59 P2 . . 119.5(10) ?
C61 C60 C59 . . 121.7(15) ?
C61 C60 H60 . . 119.1 ?
C59 C60 H60 . . 119.1 ?
C60 C61 C62 . . 120.8(16) ?
C60 C61 H61 . . 119.6 ?
C62 C61 H61 . . 119.6 ?
C63 C62 C61 . . 118.4(15) ?
C63 C62 H62 . . 120.8 ?
C61 C62 H62 . . 120.8 ?
C64 C63 C62 . . 120.8(15) ?
C64 C63 H63 . . 119.6 ?
C62 C63 H63 . . 119.6 ?
C63 C64 C59 . . 120.2(14) ?
C63 C64 H64 . . 119.9 ?
C59 C64 H64 . . 119.9 ?
C66 C65 C70 . . 118.7(14) ?
C66 C65 P2 . . 123.9(11) ?
C70 C65 P2 . . 117.3(11) ?
C67 C66 C65 . . 122.1(16) ?
C67 C66 H66 . . 118.9 ?
C65 C66 H66 . . 118.9 ?
C66 C67 C68 . . 119.1(19) ?
C66 C67 H67 . . 120.4 ?
C68 C67 H67 . . 120.4 ?
C69 C68 C67 . . 121.0(18) ?
C69 C68 H68 . . 119.5 ?
C67 C68 H68 . . 119.5 ?
C68 C69 C70 . . 117.7(16) ?
C68 C69 H69 . . 121.1 ?
C70 C69 H69 . . 121.1 ?
C65 C70 C69 . . 121.1(15) ?
C65 C70 H70 . . 119.4 ?
C69 C70 H70 . . 119.4 ?
C72 C71 C76 . . 118.2(14) ?
C72 C71 P2 . . 123.5(13) ?
C76 C71 P2 . . 118.2(11) ?
C71 C72 C73 . . 121.7(16) ?
C71 C72 H72 . . 119.1 ?
C73 C72 H72 . . 119.1 ?
C74 C73 C72 . . 118.3(17) ?
C74 C73 H73 . . 120.8 ?
C72 C73 H73 . . 120.8 ?
C73 C74 C75 . . 119.1(18) ?
C73 C74 H74 . . 120.5 ?
C75 C74 H74 . . 120.5 ?
C76 C75 C74 . . 124.(2) ?
C76 C75 H75 . . 117.9 ?
C74 C75 H75 . . 117.9 ?
C75 C76 C71 . . 118.3(16) ?
C75 C76 H76 . . 120.8 ?
C71 C76 H76 . . 120.8 ?
C78 C77 C82 . . 119.4(14) ?
C78 C77 P3 . . 122.4(12) ?
C82 C77 P3 . . 118.1(11) ?
C77 C78 C79 . . 118.4(18) ?
C77 C78 H78 . . 120.8 ?
C79 C78 H78 . . 120.8 ?
C80 C79 C78 . . 120.4(19) ?
C80 C79 H79 . . 119.8 ?
C78 C79 H79 . . 119.8 ?
C81 C80 C79 . . 119.9(19) ?
C81 C80 H80 . . 120.0 ?
C79 C80 H80 . . 120.0 ?
C80 C81 C82 . . 122.(2) ?
C80 C81 H81 . . 119.2 ?
C82 C81 H81 . . 119.2 ?
C81 C82 C77 . . 120.0(17) ?
C81 C82 H82 . . 120.0 ?
C77 C82 H82 . . 120.0 ?
C84 C83 C88 . . 118.6(15) ?
C84 C83 P3 . . 123.1(13) ?
C88 C83 P3 . . 118.2(11) ?
C83 C84 C85 . . 119.9(17) ?
C83 C84 H84 . . 120.1 ?
C85 C84 H84 . . 120.1 ?
C86 C85 C84 . . 121.3(17) ?
C86 C85 H85 . . 119.4 ?
C84 C85 H85 . . 119.4 ?
C85 C86 C87 . . 118.7(17) ?
C85 C86 H86 . . 120.6 ?
C87 C86 H86 . . 120.6 ?
C88 C87 C86 . . 120.(2) ?
C88 C87 H87 . . 120.1 ?
C86 C87 H87 . . 120.1 ?
C87 C88 C83 . . 121.5(17) ?
C87 C88 H88 . . 119.2 ?
C83 C88 H88 . . 119.2 ?
C90 C89 C94 . . 119.6(15) ?
C90 C89 P3 . . 118.5(11) ?
C94 C89 P3 . . 121.9(12) ?
C89 C90 C91 . . 122.3(14) ?
C89 C90 H90 . . 118.9 ?
C91 C90 H90 . . 118.9 ?
C90 C91 C92 . . 119.0(15) ?
C90 C91 H91 . . 120.5 ?
C92 C91 H91 . . 120.5 ?
C93 C92 C91 . . 119.3(16) ?
C93 C92 H92 . . 120.3 ?
C91 C92 H92 . . 120.3 ?
C92 C93 C94 . . 121.0(15) ?
C92 C93 H93 . . 119.5 ?
C94 C93 H93 . . 119.5 ?
C89 C94 C93 . . 118.7(15) ?
C89 C94 H94 . . 120.7 ?
C93 C94 H94 . . 120.7 ?
C96 C95 C100 . . 120.3(13) ?
C96 C95 P4 . . 125.2(11) ?
C100 C95 P4 . . 114.5(10) ?
C95 C96 C97 . . 122.8(15) ?
C95 C96 H96 . . 118.6 ?
C97 C96 H96 . . 118.6 ?
C96 C97 C98 . . 118.3(15) ?
C96 C97 H97 . . 120.8 ?
C98 C97 H97 . . 120.8 ?
C97 C98 C99 . . 122.0(15) ?
C97 C98 H98 . . 119.0 ?
C99 C98 H98 . . 119.0 ?
C98 C99 C100 . . 117.1(15) ?
C98 C99 H99 . . 121.4 ?
C100 C99 H99 . . 121.4 ?
C99 C100 C95 . . 119.5(13) ?
C99 C100 H100 . . 120.3 ?
C95 C100 H100 . . 120.3 ?
C102 C101 C106 . . 117.2(13) ?
C102 C101 P4 . . 125.0(12) ?
C106 C101 P4 . . 117.7(10) ?
C101 C102 C103 . . 120.8(16) ?
C101 C102 H102 . . 119.6 ?
C103 C102 H102 . . 119.6 ?
C104 C103 C102 . . 121.4(15) ?
C104 C103 H103 . . 119.3 ?
C102 C103 H103 . . 119.3 ?
C105 C104 C103 . . 118.1(15) ?
C105 C104 H104 . . 121.0 ?
C103 C104 H104 . . 121.0 ?
C104 C105 C106 . . 122.3(16) ?
C104 C105 H105 . . 118.9 ?
C106 C105 H105 . . 118.9 ?
C105 C106 C101 . . 120.2(15) ?
C105 C106 H106 . . 119.9 ?
C101 C106 H106 . . 119.9 ?
C112 C107 C108 . . 121.6(14) ?
C112 C107 P4 . . 117.0(10) ?
C108 C107 P4 . . 121.3(11) ?
C107 C108 C109 . . 117.5(15) ?
C107 C108 H108 . . 121.2 ?
C109 C108 H108 . . 121.2 ?
C110 C109 C108 . . 122.0(15) ?
C110 C109 H109 . . 119.0 ?
C108 C109 H109 . . 119.0 ?
C109 C110 C111 . . 119.8(15) ?
C109 C110 H110 . . 120.1 ?
C111 C110 H110 . . 120.1 ?
C112 C111 C110 . . 119.5(15) ?
C112 C111 H111 . . 120.3 ?
C110 C111 H111 . . 120.3 ?
C107 C112 C111 . . 119.5(13) ?
C107 C112 H112 . . 120.3 ?
C111 C112 H112 . . 120.3 ?
C114 C113 C118 . . 119.7(13) ?
C114 C113 P5 . . 116.1(10) ?
C118 C113 P5 . . 124.2(11) ?
C115 C114 C113 . . 118.6(15) ?
C115 C114 H114 . . 120.7 ?
C113 C114 H114 . . 120.7 ?
C116 C115 C114 . . 121.5(18) ?
C116 C115 H115 . . 119.2 ?
C114 C115 H115 . . 119.2 ?
C115 C116 C117 . . 121.0(16) ?
C115 C116 H116 . . 119.5 ?
C117 C116 H116 . . 119.5 ?
C118 C117 C116 . . 119.7(17) ?
C118 C117 H117 . . 120.1 ?
C116 C117 H117 . . 120.1 ?
C117 C118 C113 . . 119.5(16) ?
C117 C118 H118 . . 120.3 ?
C113 C118 H118 . . 120.3 ?
C120 C119 C124 . . 113.7(15) ?
C120 C119 P5 . . 120.5(12) ?
C124 C119 P5 . . 124.8(13) ?
C119 C120 C121 . . 124.0(16) ?
C119 C120 H120 . . 118.0 ?
C121 C120 H120 . . 118.0 ?
C120 C121 C122 . . 117.7(18) ?
C120 C121 H121 . . 121.1 ?
C122 C121 H121 . . 121.1 ?
C123 C122 C121 . . 120.5(17) ?
C123 C122 H122 . . 119.7 ?
C121 C122 H122 . . 119.7 ?
C122 C123 C124 . . 120.6(16) ?
C122 C123 H123 . . 119.7 ?
C124 C123 H123 . . 119.7 ?
C123 C124 C119 . . 123.3(16) ?
C123 C124 H124 . . 118.4 ?
C119 C124 H124 . . 118.4 ?
C130 C125 C126 . . 119.2(17) ?
C130 C125 P5 . . 123.8(14) ?
C126 C125 P5 . . 117.0(13) ?
C125 C126 C127 . . 120.(2) ?
C125 C126 H126 . . 120.2 ?
C127 C126 H126 . . 120.2 ?
C128 C127 C126 . . 121.(2) ?
C128 C127 H127 . . 119.3 ?
C126 C127 H127 . . 119.3 ?
C127 C128 C129 . . 118.4(17) ?
C127 C128 H128 . . 120.8 ?
C129 C128 H128 . . 120.8 ?
C128 C129 C130 . . 121.(2) ?
C128 C129 H129 . . 119.4 ?
C130 C129 H129 . . 119.4 ?
C125 C130 C129 . . 120.(2) ?
C125 C130 H130 . . 120.0 ?
C129 C130 H130 . . 120.0 ?
F1 B1 F2 . . 112.7(14) ?
F1 B1 F2 . 3 112.7(14) ?
F2 B1 F2 . 3 106.0(16) ?
F1 B1 F2 . 2 112.7(14) ?
F2 B1 F2 . 2 106.0(16) ?
F2 B1 F2 3 2 106.0(16) ?
F3A B2A F5A . . 110.8 ?
F3A B2A F4A . . 110.6 ?
F5A B2A F4A . . 109.2 ?
F3A B2A F6A . . 108.9 ?
F5A B2A F6A . . 108.7 ?
F4A B2A F6A . . 108.6 ?
F3B B2B F5B . . 110.8 ?
F3B B2B F4B . . 110.6 ?
F5B B2B F4B . . 109.2 ?
F3B B2B F6B . . 108.9 ?
F5B B2B F6B . . 108.7 ?
F4B B2B F6B . . 108.6 ?
F3C B2C F5C . . 110.82(5) ?
F3C B2C F4C . . 110.6 ?
F5C B2C F4C . . 109.2 ?
F3C B2C F6C . . 108.9 ?
F5C B2C F6C . . 108.8 ?
F4C B2C F6C . . 108.6 ?


# SQUEEZE RESULTS (Version = 130220)
# 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 1.000 0.000 0.200 1502 490 ' '
2 0.667 0.333 0.533 1519 491 ' '
3 0.333 -0.333 0.867 1513 491 ' '
_platon_squeeze_void_probe_radius 1.20
_platon_squeeze_details          ?


#
# h,k,l, Fc-squared, Fo-squared, sigma(Fo-squared) and status flag
#
# data_C:\wingx\bin\20190309_mikami364_rho_a_sqd
_shelx_title                     
' 20190309_mikami364_rho_a.res in R3                 '
_shelx_refln_list_code           4
_shelx_F_calc_maximum            2088.48
#_exptl_crystal_F_000   13146.27
_reflns_d_resolution_high        0.7709


# start Validation Reply Form
_vrf_PLAT992_20190309_mikami364_3 
;
PROBLEM: Repd & Actual _reflns_number_gt Values Differ by        107 Check 
RESPONSE: CALC FCF-SQ prcess of the platon added 107 refrections to 20630 reflections used at the final LS cylcle. 
;
_vrf_PLAT342_20190309_mikami364_3 
;
PROBLEM: Low Bond Precision on  C-C Bonds ...............    0.02616 Ang.  
RESPONSE: Due to the disorder.
;
_vrf_PLAT413_20190309_mikami364_3 
;
PROBLEM: Short Inter XH3 .. XHn     H39A     ..H67      .       1.97 Ang.  
RESPONSE: Due to the disorder of the moiety.
;
_vrf_PLAT922_20190309_mikami364_3 
;
PROBLEM: wR2 in the CIF and FCF Differ by ...............    -0.0153 Check 
RESPONSE: The reason is the same to the above incleased 107 reflections. 
;
_vrf_PLAT990_20190309_mikami364_3 
;
PROBLEM: Deprecated .res/.hkl Input Style SQUEEZE Job ...          ! Note  
RESPONSE: Since present system can not use the SHELXL20xy. 
;
# end Validation Reply Form

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

#_cell_length_a 26.33900
#_cell_length_b  26.3390
#_cell_length_c  47.8910
#_cell_angle_alpha   90.000
#_cell_angle_beta   90.000
#_cell_angle_gamma  120.000

_shelx_F_squared_multiplier      1.000



####################################################################### 
# 
# 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_20190624_mikami391
_database_code_depnum_ccdc_archive 'CCDC 2056416'
loop_
_audit_author_name
_audit_author_address
'Tsutomu Mizuta'
;Graduate School of Advanced Science and Engineering, Hiroshima University
Japan
;
_audit_update_record             
;
2021-01-15 deposited with the CCDC.	2021-03-15 downloaded from the CCDC.
;
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C383 H319 Ag26 Br17 Cu4 F18 P18'
_chemical_formula_iupac          ?
_chemical_formula_weight         10238.07
_chemical_absolute_configuration ?

_chemical_melting_point          ?

_space_group_crystal_system      trigonal
_space_group_name_H-M_alt        'R 3'
_space_group_name_Hall           'R 3'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'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+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'

_cell_length_a                   26.548(13)
_cell_length_b                   26.548
_cell_length_c                   48.43(2)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     29560.(30)
_cell_formula_units_Z            3
_cell_measurement_reflns_used    752
_cell_measurement_theta_min      3.2881
_cell_measurement_theta_max      22.2555
_cell_measurement_temperature    173.(2)

_exptl_crystal_description       block
_exptl_crystal_colour            'clear light brown'
_exptl_crystal_size_max          0.840
_exptl_crystal_size_mid          0.400
_exptl_crystal_size_min          0.360
_exptl_crystal_density_diffrn    1.725
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             14946

_exptl_absorpt_coefficient_mu    3.323
_exptl_absorpt_correction_type   Multi-Scan
_exptl_absorpt_process_details   'SADABS V2012/1 (Bruker AXS Inc.)'
_exptl_absorpt_correction_T_min  0.27
_exptl_absorpt_correction_T_max  0.38

_exptl_special_details           
;
;

_diffrn_ambient_temperature      173.(2)

_diffrn_source                   'rotating-anode X-ray tube'
_diffrn_source_type              'Bruker Turbo X-ray Source'

_diffrn_radiation_type           MoKa
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  'multilayered conforcal mirror'

_diffrn_measurement_device_type  'Bruker D8 goniometer'
_diffrn_measurement_method       'omega scans'

_diffrn_detector_area_resol_mean 8.3333

_diffrn_reflns_number            56214
_diffrn_reflns_av_R_equivalents  0.0290
_diffrn_reflns_av_unetI/netI     0.0600
_diffrn_reflns_theta_min         1.82
_diffrn_reflns_theta_max         27.34
_diffrn_reflns_theta_full        27.34
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_limit_h_min       -34
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       34
_diffrn_reflns_limit_l_min       -60
_diffrn_reflns_limit_l_max       62

_refine_special_details          SQUEEZE

_reflns_number_total             28389
_reflns_number_gt                23673
_reflns_threshold_expression     'I > 2σ(I)'

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_R_factor_all          0.0742
_refine_ls_R_factor_gt           0.0592
_refine_ls_wR_factor_gt          0.1715
_refine_ls_wR_factor_ref         0.1814
_refine_ls_goodness_of_fit_ref   1.005
_refine_ls_restrained_S_all      1.013
_refine_ls_number_reflns         28389
_refine_ls_number_parameters     1449
_refine_ls_number_restraints     346
_refine_ls_number_constraints    ?
_refine_ls_hydrogen_treatment    constr
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1374P)²] where P=(Fo²+2Fc²)/3'

_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?

_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         2.272
_refine_diff_density_min         -2.561
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 
;

Flack x determined using 9694 quotients [(I+)-(I-)]/[(I+)+(I-)]
(Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.042(4)

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'
Br Br -0.2901 2.4595 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_computing_data_collection       'APEX2(Bruker AXS)'
_computing_cell_refinement       'SAINT V8.34A (Bruker AXS Inc., 2013)'
_computing_data_reduction        'SAINT V8.34A (Bruker AXS Inc., 2013)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2017/1 (Sheldrick, 2017)'
_computing_molecular_graphics    'XSHELL V6.3.1(Bruker AXS)'
_computing_publication_material  'Generate Report (Bruker AXS)'

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_refinement_flags_posn
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag Ag1 0.36118(4) 0.62411(4) 0.47533(2) 0.0312(2) Uani d . . . 1.0 . .
Ag Ag2 0.41536(4) 0.70141(4) 0.57727(2) 0.0298(2) Uani d . . . 1.0 . .
Ag Ag3 0.333333 0.666667 0.52816(3) 0.0215(3) Uani d T P S 1.0 . .
Ag Ag4 0.35183(4) 0.56518(4) 0.53678(2) 0.0311(2) Uani d . . . 1.0 . .
Ag Ag5 0.45932(4) 0.69645(4) 0.52461(2) 0.0320(2) Uani d . . . 1.0 . .
Ag Ag6 0.39414(5) 0.61326(5) 0.63604(2) 0.0419(3) Uani d . . . 1.0 . .
Ag Ag7 0.48760(7) 0.57149(7) 0.54250(3) 0.0589(3) Uani d . . . 1.0 . .
Ag Ag8 0.52589(5) 0.67735(5) 0.46440(2) 0.0416(3) Uani d . . . 1.0 . .
Ag Ag9 0.37243(5) 0.49717(5) 0.46939(2) 0.0407(2) Uani d . . . 1.0 . .
Ag Ag10 0.666667 0.333333 0.68499(3) 0.0329(3) Uani d T P S 1.0 . .
Cu Cu1 0.333333 0.666667 0.62255(5) 0.0254(5) Uani d T P S 1.0 . .
Cu Cu2 0.44323(6) 0.59404(6) 0.49699(3) 0.0259(3) Uani d . . . 1.0 . .
Br Br1 0.43055(6) 0.60063(5) 0.58400(2) 0.0304(3) Uani d . . . 1.0 . .
Br Br2 0.49665(5) 0.76486(5) 0.47315(3) 0.0286(3) Uani d . . . 1.0 . .
Br Br3 0.666667 0.333333 0.73965(6) 0.0705(9) Uani d T P S 1.0 . .
P P1 0.44366(15) 0.59838(16) 0.67379(8) 0.0372(8) Uani d . . . 1.0 . .
P P2 0.5337(2) 0.5173(2) 0.55897(9) 0.0638(13) Uani d . . . 1.0 . .
P P3 0.61626(15) 0.70750(16) 0.44135(8) 0.0390(8) Uani d . . . 1.0 . .
P P4 0.36673(15) 0.42798(15) 0.43724(8) 0.0347(7) Uani d . . . 1.0 . .
P P5 0.58266(14) 0.34513(14) 0.67029(7) 0.0311(7) Uani d . . . 1.0 . .
C C1 0.4187(5) 0.7133(6) 0.6274(3) 0.029(2) Uani d . . . 1.0 . .
C C2 0.4722(5) 0.7477(6) 0.6264(2) 0.030(3) Uani d . . . 1.0 . .
C C3 0.5318(7) 0.7883(7) 0.6288(3) 0.044(3) Uani d . . . 1.0 . .
C C4 0.5578(9) 0.8342(9) 0.6105(4) 0.066(5) Uani d . . . 1.0 . .
H H4 0.535476 0.841382 0.597456 0.079 Uiso calc U . R 1.0 . .
C C5 0.6193(9) 0.8701(10) 0.6119(6) 0.091(8) Uani d . . . 1.0 . .
H H5 0.638505 0.895922 0.596983 0.11 Uiso calc U . R 1.0 . .
C C6 0.6523(9) 0.8698(10) 0.6335(7) 0.092(8) Uani d . . . 1.0 . .
C C7 0.6248(9) 0.8194(11) 0.6523(5) 0.076(6) Uani d . . . 1.0 . .
H H7 0.646168 0.812516 0.666063 0.091 Uiso calc U . R 1.0 . .
C C8 0.5660(7) 0.7830(7) 0.6485(4) 0.047(4) Uani d . . . 1.0 . .
H H8 0.547248 0.750879 0.660792 0.056 Uiso calc U . R 1.0 . .
C C9 0.7204(14) 0.9085(16) 0.6343(8) 0.121(10) Uani d U . . 1.0 . .
H H9A 0.737456 0.893435 0.620944 0.182 Uiso calc U . R 1.0 . .
H H9B 0.734424 0.907426 0.652846 0.182 Uiso calc U . R 1.0 . .
H H9C 0.731786 0.948637 0.62946 0.182 Uiso calc U . R 1.0 . .
C C11 0.5183(5) 0.6553(5) 0.5138(3) 0.031(3) Uani d . . . 1.0 . .
C C12 0.5589(6) 0.6888(6) 0.5262(3) 0.037(3) Uani d . . . 1.0 . .
C C13 0.6117(6) 0.7218(7) 0.5432(3) 0.045(3) Uani d . . . 1.0 . .
C C14 0.6647(8) 0.7475(10) 0.5302(5) 0.069(6) Uani d . . . 1.0 . .
H H14 0.668653 0.748442 0.510723 0.082 Uiso calc U . R 1.0 . .
C C15 0.7165(9) 0.7743(12) 0.5495(5) 0.082(7) Uani d U . . 1.0 . .
H H15 0.753332 0.783929 0.541953 0.098 Uiso calc U . R 1.0 . .
C C16 0.7145(10) 0.7847(10) 0.5746(6) 0.078(6) Uani d U . . 1.0 . .
C C17 0.6585(13) 0.7652(10) 0.5857(4) 0.081(7) Uani d . . . 1.0 . .
H H17 0.656144 0.773437 0.604554 0.098 Uiso calc U . R 1.0 . .
C C18 0.6062(10) 0.7347(9) 0.5710(4) 0.064(5) Uani d . . . 1.0 . .
H H18 0.569543 0.723437 0.579153 0.076 Uiso calc U . R 1.0 . .
C C19 0.7628(12) 0.8148(16) 0.5943(7) 0.116(11) Uani d . . . 1.0 . .
H H19A 0.790422 0.800798 0.591956 0.174 Uiso calc U . R 1.0 . .
H H19B 0.747488 0.806781 0.613172 0.174 Uiso calc U . R 1.0 . .
H H19C 0.78262 0.856764 0.590855 0.174 Uiso calc U . R 1.0 . .
C C21 0.4303(6) 0.5998(5) 0.4565(3) 0.030(3) Uani d . . . 1.0 . .
C C22 0.4224(5) 0.6089(6) 0.4335(3) 0.031(3) Uani d . . . 1.0 . .
C C23 0.4176(5) 0.6207(5) 0.4041(3) 0.032(3) Uani d . . . 1.0 . .
C C24 0.4083(6) 0.5811(7) 0.3844(3) 0.045(3) Uani d . . . 1.0 . .
H H24 0.400096 0.543256 0.389596 0.053 Uiso calc U . R 1.0 . .
C C25 0.4105(8) 0.5949(9) 0.3569(3) 0.057(5) Uani d . . . 1.0 . .
H H25 0.405736 0.566817 0.343388 0.069 Uiso calc U . R 1.0 . .
C C26 0.4194(8) 0.6472(10) 0.3485(4) 0.064(5) Uani d . . . 1.0 . .
C C27 0.4239(7) 0.6865(8) 0.3686(4) 0.054(4) Uani d . . . 1.0 . .
H H27 0.426595 0.722206 0.363319 0.065 Uiso calc U . R 1.0 . .
C C28 0.4247(8) 0.6738(8) 0.3965(3) 0.051(4) Uani d . . . 1.0 . .
H H28 0.429963 0.701642 0.410155 0.062 Uiso calc U . R 1.0 . .
C C29 0.4192(15) 0.6614(16) 0.3175(5) 0.117(11) Uani d . . . 1.0 . .
H H29A 0.446307 0.702866 0.314416 0.176 Uiso calc U . R 1.0 . .
H H29B 0.379949 0.652011 0.312041 0.176 Uiso calc U . R 1.0 . .
H H29C 0.431326 0.638284 0.30655 0.176 Uiso calc U . R 1.0 . .
C C31 0.3991(6) 0.5172(6) 0.5157(3) 0.031(3) Uani d . . . 1.0 . .
C C32 0.3614(6) 0.4697(6) 0.5259(3) 0.036(3) Uani d . . . 1.0 . .
C C33 0.3201(7) 0.4125(6) 0.5351(3) 0.046(3) Uani d . . . 1.0 . .
C C34 0.2608(7) 0.3920(7) 0.5303(4) 0.051(4) Uani d . . . 1.0 . .
H H34 0.249559 0.416589 0.5212 0.061 Uiso calc U . R 1.0 . .
C C35 0.2169(10) 0.3348(8) 0.5387(4) 0.074(6) Uani d U . . 1.0 . .
H H35 0.17652 0.32201 0.537453 0.089 Uiso calc U . R 1.0 . .
C C36 0.2383(10) 0.2983(8) 0.5491(4) 0.070(6) Uani d . . . 1.0 . .
C C37 0.2960(11) 0.3212(8) 0.5548(4) 0.071(6) Uani d . . . 1.0 . .
H H37 0.308049 0.297262 0.563908 0.085 Uiso calc U . R 1.0 . .
C C38 0.3385(9) 0.3783(7) 0.5480(4) 0.054(4) Uani d . . . 1.0 . .
H H38 0.378398 0.392795 0.552085 0.065 Uiso calc U . R 1.0 . .
C C39 0.1898(12) 0.2346(10) 0.5559(6) 0.102(9) Uani d . . . 1.0 . .
H H39A 0.174708 0.212667 0.538702 0.153 Uiso calc U . R 1.0 . .
H H39B 0.158122 0.235385 0.565924 0.153 Uiso calc U . R 1.0 . .
H H39C 0.206188 0.215898 0.567366 0.153 Uiso calc U . R 1.0 . .
C C41 0.4365(6) 0.6303(7) 0.7060(3) 0.042(3) Uani d . . . 1.0 . .
C C42 0.4312(6) 0.6814(7) 0.7024(3) 0.041(3) Uani d . . . 1.0 . .
H H42 0.432021 0.696235 0.684433 0.049 Uiso calc U . R 1.0 . .
C C43 0.4251(7) 0.7081(6) 0.7252(4) 0.044(3) Uani d . . . 1.0 . .
H H43 0.421657 0.741822 0.722992 0.053 Uiso calc U . R 1.0 . .
C C44 0.4237(6) 0.6866(9) 0.7518(4) 0.055(4) Uani d . . . 1.0 . .
H H44 0.419932 0.705615 0.767592 0.066 Uiso calc U . R 1.0 . .
C C45 0.4279(7) 0.6386(9) 0.7543(3) 0.053(4) Uani d . . . 1.0 . .
H H45 0.42584 0.622796 0.772163 0.064 Uiso calc U . R 1.0 . .
C C46 0.4353(7) 0.6108(8) 0.7307(3) 0.048(4) Uani d . . . 1.0 . .
H H46 0.439312 0.577445 0.733094 0.058 Uiso calc U . R 1.0 . .
C C47 0.4208(7) 0.5238(8) 0.6833(4) 0.049(4) Uani d . . . 1.0 . .
C C48 0.3612(7) 0.4804(7) 0.6794(4) 0.049(4) Uani d . . . 1.0 . .
H H48 0.334649 0.491996 0.673043 0.059 Uiso calc U . R 1.0 . .
C C49 0.3424(8) 0.4260(9) 0.6841(4) 0.062(5) Uani d . . . 1.0 . .
H H49 0.30289 0.398042 0.680578 0.074 Uiso calc U . R 1.0 . .
C C50 0.3799(9) 0.4080(9) 0.6944(4) 0.066(5) Uani d . . . 1.0 . .
H H50 0.364917 0.368619 0.699716 0.08 Uiso calc U . R 1.0 . .
C C51 0.4387(9) 0.4470(8) 0.6971(5) 0.071(6) Uani d . . . 1.0 . .
H H51 0.465643 0.434415 0.701199 0.085 Uiso calc U . R 1.0 . .
C C52 0.4567(8) 0.5063(8) 0.6934(5) 0.061(5) Uani d . . . 1.0 . .
H H52 0.495401 0.5348 0.698118 0.074 Uiso calc U . R 1.0 . .
C C53 0.5224(6) 0.6312(6) 0.6679(3) 0.038(3) Uani d . . . 1.0 . .
C C54 0.5615(7) 0.6565(7) 0.6883(3) 0.046(3) Uani d . . . 1.0 . .
H H54 0.548992 0.658175 0.706455 0.055 Uiso calc U . R 1.0 . .
C C55 0.6206(8) 0.6803(8) 0.6826(4) 0.054(4) Uani d . . . 1.0 . .
H H55 0.648311 0.697849 0.697024 0.065 Uiso calc U . R 1.0 . .
C C56 0.6388(6) 0.6783(7) 0.6562(3) 0.046(4) Uani d . . . 1.0 . .
H H56 0.679078 0.696967 0.651912 0.056 Uiso calc U . R 1.0 . .
C C57 0.5968(7) 0.6483(8) 0.6356(4) 0.048(4) Uani d . . . 1.0 . .
H H57 0.608325 0.642683 0.617812 0.058 Uiso calc U . R 1.0 . .
C C58 0.5395(6) 0.6273(6) 0.6414(3) 0.037(3) Uani d . . . 1.0 . .
H H58 0.511241 0.609878 0.627219 0.044 Uiso calc U . R 1.0 . .
C C59 0.4885(9) 0.4619(9) 0.5823(3) 0.057(4) Uani d . . . 1.0 . .
C C60 0.4566(9) 0.4725(8) 0.6012(4) 0.061(5) Uani d . . . 1.0 . .
H H60 0.460832 0.510165 0.602326 0.073 Uiso calc U . R 1.0 . .
C C61 0.4179(11) 0.4285(9) 0.6189(4) 0.067(5) Uani d . . . 1.0 . .
H H61 0.394938 0.436564 0.631141 0.08 Uiso calc U . R 1.0 . .
C C62 0.4119(12) 0.3744(12) 0.6192(6) 0.094(8) Uani d . . . 1.0 . .
H H62 0.385674 0.345362 0.631608 0.113 Uiso calc U . R 1.0 . .
C C63 0.4450(13) 0.3630(11) 0.6010(4) 0.079(6) Uani d U . . 1.0 . .
H H63 0.441666 0.325686 0.600405 0.095 Uiso calc U . R 1.0 . .
C C64 0.4819(10) 0.4056(8) 0.5840(4) 0.069(6) Uani d . . . 1.0 . .
H H64 0.505533 0.397383 0.57222 0.082 Uiso calc U . R 1.0 . .
C C65A 0.5958(17) 0.5401(19) 0.5766(10) 0.062(7) Uani d U P G 0.37(6) A 1
C C66A 0.6106(16) 0.5175(19) 0.5991(10) 0.064(7) Uani d U P G 0.37(6) A 1
H H66A 0.583272 0.480372 0.606234 0.077 Uiso calc U P R 0.37(6) A 1
C C67A 0.6652(18) 0.549(2) 0.6111(11) 0.091(10) Uani d U P G 0.37(6) A 1
H H67A 0.675313 0.533774 0.626457 0.109 Uiso calc U P R 0.37(6) A 1
C C68A 0.7052(16) 0.604(2) 0.6007(13) 0.121(14) Uani d U P G 0.37(6) A 1
H H68A 0.742537 0.625268 0.60887 0.145 Uiso calc U P R 0.37(6) A 1
C C69A 0.690(2) 0.6262(18) 0.5782(11) 0.084(9) Uani d U P G 0.37(6) A 1
H H69A 0.717722 0.66336 0.57106 0.101 Uiso calc U P R 0.37(6) A 1
C C70A 0.636(2) 0.5945(16) 0.5662(9) 0.089(9) Uani d U P G 0.37(6) A 1
H H70A 0.625681 0.609959 0.550837 0.107 Uiso calc U P R 0.37(6) A 1
C C65B 0.6037(11) 0.5602(16) 0.5770(6) 0.062(7) Uani d U P G 0.63(6) A 2
C C66B 0.6185(13) 0.5370(15) 0.5993(6) 0.064(7) Uani d U P G 0.63(6) A 2
H H66B 0.591555 0.499225 0.605909 0.077 Uiso calc U P R 0.63(6) A 2
C C67B 0.6726(15) 0.5690(17) 0.6117(7) 0.091(10) Uani d U P G 0.63(6) A 2
H H67B 0.682719 0.553127 0.626902 0.109 Uiso calc U P R 0.63(6) A 2
C C68B 0.7120(12) 0.6242(18) 0.6020(8) 0.121(14) Uani d U P G 0.63(6) A 2
H H68B 0.749002 0.646097 0.610507 0.145 Uiso calc U P R 0.63(6) A 2
C C69B 0.6972(13) 0.6474(17) 0.5798(7) 0.084(9) Uani d U P G 0.63(6) A 2
H H69B 0.724119 0.685166 0.573119 0.101 Uiso calc U P R 0.63(6) A 2
C C70B 0.6431(14) 0.6154(17) 0.5673(6) 0.089(9) Uani d U P G 0.63(6) A 2
H H70B 0.632956 0.631265 0.552125 0.107 Uiso calc U P R 0.63(6) A 2
C C71 0.5486(6) 0.4825(6) 0.5310(2) 0.059(5) Uani d . . G 1.0 . .
C C72 0.5958(6) 0.4734(7) 0.5316(3) 0.072(6) Uani d . . G 1.0 . .
H H72 0.621755 0.486624 0.546826 0.087 Uiso calc U . R 1.0 . .
C C73 0.6051(6) 0.4451(8) 0.5097(3) 0.091(7) Uani d U . G 1.0 . .
H H73 0.637371 0.438867 0.510057 0.109 Uiso calc U . R 1.0 . .
C C74 0.5672(8) 0.4258(8) 0.4874(3) 0.089(7) Uani d U . G 1.0 . .
H H74 0.573512 0.40641 0.472433 0.107 Uiso calc U . R 1.0 . .
C C75 0.5200(7) 0.4349(8) 0.4869(3) 0.104(9) Uani d U . G 1.0 . .
H H75 0.494037 0.421709 0.471578 0.125 Uiso calc U . R 1.0 . .
C C76 0.5107(6) 0.4633(8) 0.5087(3) 0.083(6) Uani d U . G 1.0 . .
H H76 0.478419 0.469466 0.508347 0.099 Uiso calc U . R 1.0 . .
C C77 0.6188(6) 0.7172(7) 0.4046(3) 0.044(3) Uani d . . . 1.0 . .
C C78 0.6618(7) 0.7613(8) 0.3894(3) 0.052(4) Uani d . . . 1.0 . .
H H78 0.695774 0.789194 0.398783 0.062 Uiso calc U . R 1.0 . .
C C79 0.6589(10) 0.7674(10) 0.3627(5) 0.072(6) Uani d . . . 1.0 . .
H H79 0.689549 0.800084 0.35358 0.087 Uiso calc U . R 1.0 . .
C C80 0.6115(7) 0.7266(7) 0.3475(4) 0.047(4) Uani d . . . 1.0 . .
H H80 0.610198 0.730664 0.328028 0.057 Uiso calc U . R 1.0 . .
C C81 0.5657(8) 0.6796(7) 0.3612(4) 0.051(4) Uani d . . . 1.0 . .
H H81 0.53331 0.650972 0.351105 0.061 Uiso calc U . R 1.0 . .
C C82 0.5681(6) 0.6752(6) 0.3897(3) 0.040(3) Uani d . . . 1.0 . .
H H82 0.536326 0.644598 0.399268 0.048 Uiso calc U . R 1.0 . .
C C83 0.6423(5) 0.6568(4) 0.4461(2) 0.043(3) Uani d . . G 1.0 . .
C C84 0.6804(5) 0.6532(5) 0.4276(2) 0.058(4) Uani d . . G 1.0 . .
H H84 0.692644 0.676947 0.411557 0.069 Uiso calc U . R 1.0 . .
C C85 0.7007(6) 0.6148(6) 0.4326(3) 0.083(8) Uani d . . G 1.0 . .
H H85 0.726741 0.612374 0.419955 0.099 Uiso calc U . R 1.0 . .
C C86 0.6828(7) 0.5800(7) 0.4561(3) 0.079(7) Uani d . . G 1.0 . .
H H86 0.696636 0.553829 0.459477 0.095 Uiso calc U . R 1.0 . .
C C87 0.6447(7) 0.5836(6) 0.4746(2) 0.092(9) Uani d . . G 1.0 . .
H H87 0.632432 0.559856 0.490602 0.11 Uiso calc U . R 1.0 . .
C C88 0.6244(5) 0.6220(5) 0.4696(2) 0.061(5) Uani d . . G 1.0 . .
H H88 0.598334 0.62443 0.482205 0.073 Uiso calc U . R 1.0 . .
C C89 0.6743(6) 0.7764(7) 0.4535(3) 0.046(3) Uani d . . . 1.0 . .
C C90 0.7303(8) 0.7852(11) 0.4586(5) 0.079(7) Uani d . . . 1.0 . .
H H90 0.738567 0.754496 0.456244 0.095 Uiso calc U . R 1.0 . .
C C91 0.7735(8) 0.8403(10) 0.4672(6) 0.087(8) Uani d . . . 1.0 . .
H H91 0.812423 0.848251 0.469114 0.104 Uiso calc U . R 1.0 . .
C C92 0.7595(10) 0.8856(10) 0.4732(5) 0.082(7) Uani d . . . 1.0 . .
H H92 0.788619 0.922682 0.479592 0.098 Uiso calc U . R 1.0 . .
C C93 0.7045(8) 0.8739(8) 0.4695(4) 0.054(4) Uani d . . . 1.0 . .
H H93 0.694588 0.902898 0.473521 0.065 Uiso calc U . R 1.0 . .
C C94 0.6618(7) 0.8196(6) 0.4600(3) 0.044(3) Uani d . . . 1.0 . .
H H94 0.623127 0.812169 0.457893 0.052 Uiso calc U . R 1.0 . .
C C95 0.3287(6) 0.3523(6) 0.4480(3) 0.040(3) Uani d . . . 1.0 . .
C C96 0.3345(8) 0.3409(8) 0.4756(4) 0.053(4) Uani d . . . 1.0 . .
H H96 0.356837 0.372202 0.487804 0.064 Uiso calc U . R 1.0 . .
C C97 0.3082(10) 0.2848(9) 0.4851(5) 0.072(6) Uani d . . . 1.0 . .
H H97 0.314652 0.276789 0.503437 0.087 Uiso calc U . R 1.0 . .
C C98 0.2709(8) 0.2388(8) 0.4670(5) 0.070(6) Uani d . . . 1.0 . .
H H98 0.248694 0.200108 0.473652 0.083 Uiso calc U . R 1.0 . .
C C99 0.2676(9) 0.2513(8) 0.4401(4) 0.064(5) Uani d . . . 1.0 . .
H H99 0.246055 0.220805 0.42732 0.076 Uiso calc U . R 1.0 . .
C C100 0.2940(7) 0.3051(7) 0.4320(4) 0.054(4) Uani d . . . 1.0 . .
H H100 0.288808 0.312267 0.413269 0.065 Uiso calc U . R 1.0 . .
C C101 0.3291(6) 0.4269(5) 0.4060(3) 0.037(3) Uani d . . . 1.0 . .
C C102 0.2836(6) 0.4370(6) 0.4067(3) 0.044(3) Uani d . . . 1.0 . .
H H102 0.272514 0.444656 0.424166 0.052 Uiso calc U . R 1.0 . .
C C103 0.2531(7) 0.4368(7) 0.3844(4) 0.048(4) Uani d . . . 1.0 . .
H H103 0.221246 0.443418 0.386346 0.058 Uiso calc U . R 1.0 . .
C C104 0.2679(7) 0.4273(7) 0.3597(4) 0.055(4) Uani d . . . 1.0 . .
H H104 0.24681 0.427392 0.343922 0.066 Uiso calc U . R 1.0 . .
C C105 0.3173(8) 0.4164(7) 0.3565(3) 0.053(4) Uani d . . . 1.0 . .
H H105 0.328486 0.409374 0.338954 0.064 Uiso calc U . R 1.0 . .
C C106 0.3450(7) 0.4169(7) 0.3794(3) 0.046(3) Uani d . . . 1.0 . .
H H106 0.376926 0.410305 0.377979 0.055 Uiso calc U . R 1.0 . .
C C107 0.4378(6) 0.4409(6) 0.4256(3) 0.037(3) Uani d . . . 1.0 . .
C C108 0.4835(7) 0.4969(7) 0.4241(4) 0.049(4) Uani d . . . 1.0 . .
H H108 0.477322 0.527949 0.429248 0.059 Uiso calc U . R 1.0 . .
C C109 0.5380(7) 0.5095(8) 0.4155(4) 0.058(4) Uani d . . . 1.0 . .
H H109 0.569682 0.548356 0.415606 0.07 Uiso calc U . R 1.0 . .
C C110 0.5454(7) 0.4640(8) 0.4065(4) 0.054(4) Uani d . . . 1.0 . .
H H110 0.581938 0.472255 0.39926 0.065 Uiso calc U . R 1.0 . .
C C111 0.5032(7) 0.4102(7) 0.4079(4) 0.050(4) Uani d . . . 1.0 . .
H H111 0.510039 0.379773 0.402354 0.06 Uiso calc U . R 1.0 . .
C C112 0.4486(7) 0.3967(7) 0.4173(4) 0.048(4) Uani d . . . 1.0 . .
H H112 0.418289 0.357217 0.418109 0.058 Uiso calc U . R 1.0 . .
C C113 0.5641(5) 0.3266(6) 0.6336(3) 0.036(3) Uani d . . . 1.0 . .
C C114 0.5204(8) 0.2736(8) 0.6247(4) 0.057(4) Uani d . . . 1.0 . .
H H114 0.495174 0.24531 0.637638 0.069 Uiso calc U . R 1.0 . .
C C115 0.5132(9) 0.2616(11) 0.5963(5) 0.082(7) Uani d . . . 1.0 . .
H H115 0.481538 0.225568 0.590327 0.098 Uiso calc U . R 1.0 . .
C C116 0.5481(8) 0.2978(10) 0.5780(4) 0.066(5) Uani d . . . 1.0 . .
H H116 0.543505 0.287239 0.559041 0.079 Uiso calc U . R 1.0 . .
C C117 0.5964(8) 0.3571(10) 0.5871(4) 0.065(5) Uani d . . . 1.0 . .
H H117 0.6214 0.38558 0.574212 0.078 Uiso calc U . R 1.0 . .
C C118 0.6019(7) 0.3671(7) 0.6137(3) 0.046(3) Uani d . . . 1.0 . .
H H118 0.632873 0.403254 0.619984 0.055 Uiso calc U . R 1.0 . .
C C119 0.5127(6) 0.3072(5) 0.6888(3) 0.038(3) Uani d . . . 1.0 . .
C C120 0.4608(7) 0.2957(8) 0.6774(4) 0.059(5) Uani d . . . 1.0 . .
H H120 0.460159 0.307695 0.658948 0.071 Uiso calc U . R 1.0 . .
C C121 0.4082(7) 0.2664(8) 0.6924(5) 0.069(6) Uani d . . . 1.0 . .
H H121 0.373013 0.259284 0.683925 0.083 Uiso calc U . R 1.0 . .
C C122 0.4070(9) 0.2496(9) 0.7167(6) 0.079(7) Uani d U . . 1.0 . .
H H122 0.370766 0.2289 0.726072 0.095 Uiso calc U . R 1.0 . .
C C123 0.4620(9) 0.2617(8) 0.7314(4) 0.067(6) Uani d . . . 1.0 . .
H H123 0.46228 0.250214 0.749979 0.08 Uiso calc U . R 1.0 . .
C C124 0.5137(7) 0.2920(7) 0.7152(4) 0.054(4) Uani d . . . 1.0 . .
H H124 0.55004 0.301778 0.723329 0.064 Uiso calc U . R 1.0 . .
C C125 0.5975(6) 0.4206(6) 0.6727(3) 0.037(3) Uani d . . . 1.0 . .
C C126 0.5649(8) 0.4401(7) 0.6616(4) 0.056(4) Uani d . . . 1.0 . .
H H126 0.532485 0.415158 0.650455 0.067 Uiso calc U . R 1.0 . .
C C127 0.5787(10) 0.4985(8) 0.6665(6) 0.077(7) Uani d . . . 1.0 . .
H H127 0.555999 0.512863 0.658086 0.093 Uiso calc U . R 1.0 . .
C C128 0.6230(10) 0.5331(8) 0.6828(5) 0.067(5) Uani d . . . 1.0 . .
H H128 0.62992 0.570968 0.687004 0.08 Uiso calc U . R 1.0 . .
C C129 0.6587(9) 0.5148(7) 0.6935(5) 0.074(6) Uani d . . . 1.0 . .
H H129 0.69288 0.541232 0.703271 0.089 Uiso calc U . R 1.0 . .
C C130 0.6452(8) 0.4588(6) 0.6901(4) 0.051(4) Uani d . . . 1.0 . .
H H130 0.667446 0.444762 0.699207 0.061 Uiso calc U . R 1.0 . .
P P7A 0.2197(10) 0.3808(10) 0.2794(4) 0.082(3) Uani d U P G 0.267(10) B 1
F F1A 0.2683(15) 0.3700(18) 0.2658(9) 0.144(15) Uani d U P G 0.267(10) B 1
F F2A 0.1707(15) 0.3913(15) 0.2927(9) 0.110(10) Uani d U P G 0.267(10) B 1
F F3A 0.2489(17) 0.4433(13) 0.2655(8) 0.146(16) Uani d U P G 0.267(10) B 1
F F4A 0.1920(13) 0.3189(10) 0.2940(6) 0.058(5) Uani d U P G 0.267(10) B 1
F F5A 0.1801(18) 0.3528(17) 0.2531(6) 0.161(17) Uani d U P G 0.267(10) B 1
F F6A 0.2599(16) 0.4090(14) 0.3059(7) 0.128(12) Uani d U P G 0.267(10) B 1
P P7B 0.2188(6) 0.3736(6) 0.2766(3) 0.082(3) Uani d U P G 0.400(10) B 2
F F1B 0.2682(9) 0.3617(11) 0.2882(6) 0.144(15) Uani d U P G 0.400(10) B 2
F F2B 0.1696(10) 0.3854(10) 0.2648(6) 0.110(10) Uani d U P G 0.400(10) B 2
F F3B 0.2529(11) 0.4377(7) 0.2887(6) 0.146(16) Uani d U P G 0.400(10) B 2
F F4B 0.1840(8) 0.3085(7) 0.2655(5) 0.058(5) Uani d U P G 0.400(10) B 2
F F5B 0.2531(11) 0.3950(11) 0.2485(4) 0.161(17) Uani d U P G 0.400(10) B 2
F F6B 0.1842(12) 0.3517(11) 0.3051(3) 0.128(12) Uani d U P G 0.400(10) B 2
P P8 0.666667 0.333333 0.49935(15) 0.0506(17) Uani d T P S 1.0 . .
F F7A 0.6170(16) 0.3298(16) 0.5153(7) 0.100(7) Uani d U P . 0.5 C 1
F F8A 0.6784(18) 0.3807(17) 0.4834(7) 0.108(7) Uani d U P . 0.5 C 1
F F7B 0.6131(16) 0.3012(16) 0.5173(8) 0.100(7) Uani d U P . 0.5 C 2
F F8B 0.6374(18) 0.3534(18) 0.4797(7) 0.108(7) Uani d U P . 0.5 C 2
Br Br4 0.4326(3) 0.2628(3) 0.46332(12) 0.1006(18) Uani d U P G 0.465(4) D 1
Br Br5 0.4296(4) 0.2862(5) 0.52806(12) 0.146(3) Uani d U P G 0.465(4) D 1
C C131 0.465(2) 0.265(3) 0.4991(2) 0.104(18) Uani d U P G 0.465(4) D 1
H H13A 0.506884 0.292785 0.498731 0.125 Uiso calc U P R 0.465(4) D 1
H H13B 0.459262 0.225835 0.50322 0.125 Uiso calc U P R 0.465(4) D 1
Br Br6 0.4950(7) 0.2730(8) 0.4854(3) 0.1006(18) Uani d U P G 0.168(4) D 2
Br Br7 0.3977(10) 0.2393(14) 0.4388(5) 0.146(3) Uani d U P G 0.168(4) D 2
C C132 0.426(5) 0.274(8) 0.4744(18) 0.104(18) Uani d U P G 0.168(4) D 2
H H13C 0.43406 0.314297 0.47411 0.125 Uiso calc U P R 0.168(4) D 2
H H13D 0.395091 0.252172 0.48832 0.125 Uiso calc U P R 0.168(4) D 2
C C133 0.9067(14) 0.8340(16) 0.4329(7) 0.063(8) Uani d U P . 0.5667 . .
H H13E 0.933159 0.844844 0.416802 0.075 Uiso calc U P R 0.5667 . .
H H13F 0.885181 0.85525 0.430443 0.075 Uiso calc U P R 0.5667 . .
Br Br8 0.8546(4) 0.7613(5) 0.42693(19) 0.156(3) Uani d U P . 0.5667 . .
Br Br9 0.9523(6) 0.8679(5) 0.4607(3) 0.192(4) Uani d U P . 0.5667 . .
Br Br10 0.7600(6) 0.6695(8) 0.5051(4) 0.112(4) Uani d U P G 0.191(4) E 1
Br Br11 0.8790(7) 0.7860(8) 0.5194(5) 0.138(6) Uani d U P G 0.191(4) E 1
C C134 0.828(2) 0.7053(13) 0.5277(15) 0.07(2) Uani d U P G 0.191(4) E 1
H H13G 0.850083 0.68423 0.525285 0.079 Uiso calc U P R 0.191(4) E 1
H H13H 0.816532 0.701556 0.547364 0.079 Uiso calc U P R 0.191(4) E 1
Br Br12 0.7535(15) 0.5845(13) 0.5291(8) 0.138(6) Uani d U P G 0.109(4) E 2
Br Br13 0.8268(12) 0.7164(12) 0.5082(6) 0.112(4) Uani d U P G 0.109(4) E 2
C C135 0.819(4) 0.660(2) 0.535(2) 0.07(2) Uani d U P G 0.109(4) E 2
H H13I 0.855026 0.657613 0.535399 0.079 Uiso calc U P R 0.109(4) E 2
H H13J 0.815452 0.674142 0.553876 0.079 Uiso calc U P R 0.109(4) E 2
Br Br14 0.3469(11) 0.5970(11) 0.2491(5) 0.123(5) Uani d U P G 0.1667 F -1
Br Br15 0.4208(10) 0.7362(11) 0.2498(5) 0.123(5) Uani d U P G 0.1667 F -1
C C136 0.414(5) 0.6656(13) 0.236(3) 0.123(5) Uani d . P G 0.1667 F -1
H H13K 0.4121 0.666211 0.215141 0.147 Uiso calc U P R 0.1667 F -1
H H13L 0.449307 0.664007 0.240608 0.147 Uiso calc U P R 0.1667 F -1


_geom_special_details            
;

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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Ag1 C21 . 2.409(12) ?
Ag1 Ag1 3_565 2.824(2) ?
Ag1 Ag1 2_665 2.8239(15) ?
Ag1 Cu2 . 2.8672(19) ?
Ag1 Br2 3_565 2.9100(15) ?
Ag1 Ag3 . 3.0335(19) ?
Ag1 Ag4 . 3.3131(19) ?
Ag1 Ag5 . 3.3419(17) ?
Ag2 C1 . 2.446(13) ?
Ag2 Ag5 . 2.8349(17) ?
Ag2 Ag4 2_665 2.8399(15) ?
Ag2 Cu1 . 2.897(2) ?
Ag2 Br1 . 2.9164(15) ?
Ag2 Ag3 . 3.0402(18) ?
Ag2 Ag2 3_565 3.2793(19) ?
Ag2 Ag2 2_665 3.279(2) ?
Ag3 Ag4 3_565 2.9997(18) ?
Ag3 Ag4 2_665 2.9997(11) ?
Ag3 Ag4 . 2.9997(9) ?
Ag3 Ag5 3_565 3.0327(10) ?
Ag3 Ag5 . 3.0328(19) ?
Ag3 Ag5 2_665 3.0328(9) ?
Ag4 C31 . 2.415(11) ?
Ag4 Ag5 3_565 2.8395(19) ?
Ag4 Cu2 . 2.886(2) ?
Ag4 Br1 . 2.9181(19) ?
Ag4 Ag5 . 3.2698(14) ?
Ag5 C11 . 2.371(11) ?
Ag5 Cu2 . 2.8640(17) ?
Ag5 Br2 . 2.9480(19) ?
Ag6 C1 3_565 2.374(12) ?
Ag6 P1 . 2.397(4) ?
Ag6 C1 . 2.433(13) ?
Ag6 Cu1 . 2.7077(14) ?
Ag6 Br1 . 2.779(2) ?
Ag7 C11 . 2.396(13) ?
Ag7 C31 . 2.429(14) ?
Ag7 P2 . 2.442(6) ?
Ag7 Cu2 . 2.703(2) ?
Ag7 Br1 . 2.847(2) ?
Ag8 C21 . 2.366(13) ?
Ag8 P3 . 2.392(4) ?
Ag8 C11 . 2.446(14) ?
Ag8 Cu2 . 2.7100(19) ?
Ag8 Br2 . 2.8255(16) ?
Ag9 C31 . 2.331(13) ?
Ag9 P4 . 2.354(4) ?
Ag9 C21 . 2.447(13) ?
Ag9 Cu2 . 2.6647(18) ?
Ag9 Br2 3_565 2.858(2) ?
Ag10 P5 2_655 2.505(3) ?
Ag10 P5 3_665 2.505(4) ?
Ag10 P5 . 2.505(4) ?
Ag10 Br3 . 2.647(4) ?
Cu1 C1 2_665 1.979(12) ?
Cu1 C1 3_565 1.979(12) ?
Cu1 C1 . 1.979(12) ?
Cu2 C31 . 1.990(13) ?
Cu2 C11 . 2.009(13) ?
Cu2 C21 . 2.010(13) ?
P1 C47 . 1.818(19) ?
P1 C41 . 1.831(15) ?
P1 C53 . 1.841(14) ?
P2 C65A . 1.68(3) ?
P2 C59 . 1.77(2) ?
P2 C71 . 1.790(10) ?
P2 C65B . 1.84(3) ?
P3 C77 . 1.794(17) ?
P3 C89 . 1.803(15) ?
P3 C83 . 1.810(8) ?
P4 C101 . 1.805(15) ?
P4 C95 . 1.817(15) ?
P4 C107 . 1.831(15) ?
P5 C125 . 1.842(15) ?
P5 C119 . 1.843(14) ?
P5 C113 . 1.845(14) ?
C1 C2 . 1.249(18) ?
C2 C3 . 1.40(2) ?
C3 C8 . 1.37(2) ?
C3 C4 . 1.38(3) ?
C4 C5 . 1.42(3) ?
C4 H4 . 0.95 ?
C5 C6 . 1.37(4) ?
C5 H5 . 0.95 ?
C6 C7 . 1.48(4) ?
C6 C9 . 1.57(4) ?
C7 C8 . 1.38(3) ?
C7 H7 . 0.95 ?
C8 H8 . 0.95 ?
C9 H9A . 0.98 ?
C9 H9B . 0.98 ?
C9 H9C . 0.98 ?
C11 C12 . 1.164(19) ?
C12 C13 . 1.48(2) ?
C13 C14 . 1.37(3) ?
C13 C18 . 1.41(2) ?
C14 C15 . 1.51(3) ?
C14 H14 . 0.95 ?
C15 C16 . 1.25(3) ?
C15 H15 . 0.95 ?
C16 C17 . 1.41(4) ?
C16 C19 . 1.47(3) ?
C17 C18 . 1.40(3) ?
C17 H17 . 0.95 ?
C18 H18 . 0.95 ?
C19 H19A . 0.98 ?
C19 H19B . 0.98 ?
C19 H19C . 0.98 ?
C21 C22 . 1.182(18) ?
C22 C23 . 1.475(19) ?
C23 C24 . 1.35(2) ?
C23 C28 . 1.38(2) ?
C24 C25 . 1.38(2) ?
C24 H24 . 0.95 ?
C25 C26 . 1.35(3) ?
C25 H25 . 0.95 ?
C26 C27 . 1.38(3) ?
C26 C29 . 1.55(3) ?
C27 C28 . 1.40(2) ?
C27 H27 . 0.95 ?
C28 H28 . 0.95 ?
C29 H29A . 0.98 ?
C29 H29B . 0.98 ?
C29 H29C . 0.98 ?
C31 C32 . 1.26(2) ?
C32 C33 . 1.43(2) ?
C33 C38 . 1.38(2) ?
C33 C34 . 1.40(2) ?
C34 C35 . 1.44(2) ?
C34 H34 . 0.95 ?
C35 C36 . 1.44(3) ?
C35 H35 . 0.95 ?
C36 C37 . 1.36(3) ?
C36 C39 . 1.57(3) ?
C37 C38 . 1.40(3) ?
C37 H37 . 0.95 ?
C38 H38 . 0.95 ?
C39 H39A . 0.98 ?
C39 H39B . 0.98 ?
C39 H39C . 0.98 ?
C41 C46 . 1.30(2) ?
C41 C42 . 1.44(2) ?
C42 C43 . 1.36(2) ?
C42 H42 . 0.95 ?
C43 C44 . 1.40(3) ?
C43 H43 . 0.95 ?
C44 C45 . 1.34(3) ?
C44 H44 . 0.95 ?
C45 C46 . 1.43(2) ?
C45 H45 . 0.95 ?
C46 H46 . 0.95 ?
C47 C52 . 1.34(2) ?
C47 C48 . 1.43(2) ?
C48 C49 . 1.29(3) ?
C48 H48 . 0.95 ?
C49 C50 . 1.39(3) ?
C49 H49 . 0.95 ?
C50 C51 . 1.38(3) ?
C50 H50 . 0.95 ?
C51 C52 . 1.41(2) ?
C51 H51 . 0.95 ?
C52 H52 . 0.95 ?
C53 C54 . 1.34(2) ?
C53 C58 . 1.38(2) ?
C54 C55 . 1.39(2) ?
C54 H54 . 0.95 ?
C55 C56 . 1.38(2) ?
C55 H55 . 0.95 ?
C56 C57 . 1.41(2) ?
C56 H56 . 0.95 ?
C57 C58 . 1.36(2) ?
C57 H57 . 0.95 ?
C58 H58 . 0.95 ?
C59 C60 . 1.37(2) ?
C59 C64 . 1.42(2) ?
C60 C61 . 1.40(3) ?
C60 H60 . 0.95 ?
C61 C62 . 1.36(3) ?
C61 H61 . 0.95 ?
C62 C63 . 1.38(3) ?
C62 H62 . 0.95 ?
C63 C64 . 1.34(3) ?
C63 H63 . 0.95 ?
C64 H64 . 0.95 ?
C65A C66A . 1.39 ?
C65A C70A . 1.39 ?
C66A C67A . 1.39 ?
C66A H66A . 0.95 ?
C67A C68A . 1.39 ?
C67A H67A . 0.95 ?
C68A C69A . 1.39 ?
C68A H68A . 0.95 ?
C69A C70A . 1.39 ?
C69A H69A . 0.95 ?
C70A H70A . 0.95 ?
C65B C66B . 1.39 ?
C65B C70B . 1.39 ?
C66B C67B . 1.39 ?
C66B H66B . 0.95 ?
C67B C68B . 1.39 ?
C67B H67B . 0.95 ?
C68B C69B . 1.39 ?
C68B H68B . 0.95 ?
C69B C70B . 1.39 ?
C69B H69B . 0.95 ?
C70B H70B . 0.95 ?
C71 C72 . 1.39 ?
C71 C76 . 1.39 ?
C72 C73 . 1.39 ?
C72 H72 . 0.95 ?
C73 C74 . 1.39 ?
C73 H73 . 0.95 ?
C74 C75 . 1.39 ?
C74 H74 . 0.95 ?
C75 C76 . 1.39 ?
C75 H75 . 0.95 ?
C76 H76 . 0.95 ?
C77 C78 . 1.37(2) ?
C77 C82 . 1.44(2) ?
C78 C79 . 1.31(3) ?
C78 H78 . 0.95 ?
C79 C80 . 1.39(3) ?
C79 H79 . 0.95 ?
C80 C81 . 1.40(3) ?
C80 H80 . 0.95 ?
C81 C82 . 1.39(2) ?
C81 H81 . 0.95 ?
C82 H82 . 0.95 ?
C83 C84 . 1.39 ?
C83 C88 . 1.39 ?
C84 C85 . 1.39 ?
C84 H84 . 0.95 ?
C85 C86 . 1.39 ?
C85 H85 . 0.95 ?
C86 C87 . 1.39 ?
C86 H86 . 0.95 ?
C87 C88 . 1.39 ?
C87 H87 . 0.95 ?
C88 H88 . 0.95 ?
C89 C94 . 1.38(2) ?
C89 C90 . 1.41(2) ?
C90 C91 . 1.40(3) ?
C90 H90 . 0.95 ?
C91 C92 . 1.46(3) ?
C91 H91 . 0.95 ?
C92 C93 . 1.34(3) ?
C92 H92 . 0.95 ?
C93 C94 . 1.39(2) ?
C93 H93 . 0.95 ?
C94 H94 . 0.95 ?
C95 C100 . 1.37(2) ?
C95 C96 . 1.39(2) ?
C96 C97 . 1.37(3) ?
C96 H96 . 0.95 ?
C97 C98 . 1.42(3) ?
C97 H97 . 0.95 ?
C98 C99 . 1.36(3) ?
C98 H98 . 0.95 ?
C99 C100 . 1.30(3) ?
C99 H99 . 0.95 ?
C100 H100 . 0.95 ?
C101 C102 . 1.36(2) ?
C101 C106 . 1.42(2) ?
C102 C103 . 1.35(2) ?
C102 H102 . 0.95 ?
C103 C104 . 1.32(3) ?
C103 H103 . 0.95 ?
C104 C105 . 1.49(3) ?
C104 H104 . 0.95 ?
C105 C106 . 1.33(2) ?
C105 H105 . 0.95 ?
C106 H106 . 0.95 ?
C107 C108 . 1.37(2) ?
C107 C112 . 1.40(2) ?
C108 C109 . 1.38(2) ?
C108 H108 . 0.95 ?
C109 C110 . 1.39(2) ?
C109 H109 . 0.95 ?
C110 C111 . 1.30(2) ?
C110 H110 . 0.95 ?
C111 C112 . 1.39(2) ?
C111 H111 . 0.95 ?
C112 H112 . 0.95 ?
C113 C114 . 1.37(2) ?
C113 C118 . 1.42(2) ?
C114 C115 . 1.40(3) ?
C114 H114 . 0.95 ?
C115 C116 . 1.30(3) ?
C115 H115 . 0.95 ?
C116 C117 . 1.52(3) ?
C116 H116 . 0.95 ?
C117 C118 . 1.30(2) ?
C117 H117 . 0.95 ?
C118 H118 . 0.95 ?
C119 C124 . 1.34(2) ?
C119 C120 . 1.37(2) ?
C120 C121 . 1.41(2) ?
C120 H120 . 0.95 ?
C121 C122 . 1.25(4) ?
C121 H121 . 0.95 ?
C122 C123 . 1.51(4) ?
C122 H122 . 0.95 ?
C123 C124 . 1.43(2) ?
C123 H123 . 0.95 ?
C124 H124 . 0.95 ?
C125 C126 . 1.32(2) ?
C125 C130 . 1.43(2) ?
C126 C127 . 1.43(2) ?
C126 H126 . 0.95 ?
C127 C128 . 1.33(3) ?
C127 H127 . 0.95 ?
C128 C129 . 1.37(3) ?
C128 H128 . 0.95 ?
C129 C130 . 1.35(2) ?
C129 H129 . 0.95 ?
C130 H130 . 0.95 ?
P7A F5A . 1.5776 ?
P7A F3A . 1.5866 ?
P7A F4A . 1.5916 ?
P7A F1A . 1.5964 ?
P7A F2A . 1.5965 ?
P7A F6A . 1.5989 ?
P7B F5B . 1.5777 ?
P7B F3B . 1.5866 ?
P7B F4B . 1.5914 ?
P7B F1B . 1.5964 ?
P7B F2B . 1.5965 ?
P7B F6B . 1.5987 ?
P8 F8A . 1.37(4) ?
P8 F8A 3_665 1.37(4) ?
P8 F8A 2_655 1.37(4) ?
P8 F8B 2_655 1.49(4) ?
P8 F8B 3_665 1.49(4) ?
P8 F8B . 1.49(4) ?
P8 F7A . 1.49(3) ?
P8 F7A 2_655 1.49(3) ?
P8 F7A 3_665 1.49(3) ?
P8 F7B 2_655 1.51(4) ?
P8 F7B 3_665 1.51(4) ?
P8 F7B . 1.51(4) ?
F7A F8A 2_655 1.78(5) ?
Br4 C131 . 1.9188 ?
Br5 C131 . 1.9189 ?
C131 H13A . 0.99 ?
C131 H13B . 0.99 ?
Br6 C132 . 1.9178 ?
Br7 C132 . 1.9193(14) ?
C132 H13C . 0.99 ?
C132 H13D . 0.99 ?
C133 Br9 . 1.73(4) ?
C133 Br8 . 1.75(4) ?
C133 H13E . 0.99 ?
C133 H13F . 0.99 ?
Br10 C134 . 1.918 ?
Br11 C134 . 1.9183 ?
C134 H13G . 0.99 ?
C134 H13H . 0.99 ?
Br12 C135 . 1.9178 ?
Br13 C135 . 1.9191 ?
C135 H13I . 0.99 ?
C135 H13J . 0.99 ?
Br14 C136 . 1.9179 ?
Br15 C136 . 1.9185 ?
C136 H13K . 0.99 ?
C136 H13L . 0.99 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
C21 Ag1 Ag1 . 3_565 156.5(3) ?
C21 Ag1 Ag1 . 2_665 124.4(3) ?
Ag1 Ag1 Ag1 3_565 2_665 59.999(7) ?
C21 Ag1 Cu2 . . 43.7(3) ?
Ag1 Ag1 Cu2 3_565 . 157.12(4) ?
Ag1 Ag1 Cu2 2_665 . 125.09(6) ?
C21 Ag1 Br2 . 3_565 91.8(3) ?
Ag1 Ag1 Br2 3_565 3_565 79.57(6) ?
Ag1 Ag1 Br2 2_665 3_565 139.52(5) ?
Cu2 Ag1 Br2 . 3_565 92.90(5) ?
C21 Ag1 Ag3 . . 141.2(3) ?
Ag1 Ag1 Ag3 3_565 . 62.26(2) ?
Ag1 Ag1 Ag3 2_665 . 62.26(2) ?
Cu2 Ag1 Ag3 . . 98.96(5) ?
Br2 Ag1 Ag3 3_565 . 102.15(4) ?
C21 Ag1 Ag4 . . 95.8(3) ?
Ag1 Ag1 Ag4 3_565 . 102.06(3) ?
Ag1 Ag1 Ag4 2_665 . 116.07(3) ?
Cu2 Ag1 Ag4 . . 55.10(4) ?
Br2 Ag1 Ag4 3_565 . 71.96(4) ?
Ag3 Ag1 Ag4 . . 56.21(4) ?
C21 Ag1 Ag5 . . 86.8(3) ?
Ag1 Ag1 Ag5 3_565 . 115.41(3) ?
Ag1 Ag1 Ag5 2_665 . 74.67(4) ?
Cu2 Ag1 Ag5 . . 54.29(4) ?
Br2 Ag1 Ag5 3_565 . 130.32(5) ?
Ag3 Ag1 Ag5 . . 56.56(4) ?
Ag4 Ag1 Ag5 . . 58.85(4) ?
C1 Ag2 Ag5 . . 155.6(3) ?
C1 Ag2 Ag4 . 2_665 127.1(3) ?
Ag5 Ag2 Ag4 . 2_665 60.05(4) ?
C1 Ag2 Cu1 . . 42.4(3) ?
Ag5 Ag2 Cu1 . . 158.05(5) ?
Ag4 Ag2 Cu1 2_665 . 125.77(5) ?
C1 Ag2 Br1 . . 89.7(3) ?
Ag5 Ag2 Br1 . . 78.99(4) ?
Ag4 Ag2 Br1 2_665 . 139.00(5) ?
Cu1 Ag2 Br1 . . 92.88(4) ?
C1 Ag2 Ag3 . . 142.2(3) ?
Ag5 Ag2 Ag3 . . 62.04(5) ?
Ag4 Ag2 Ag3 2_665 . 61.24(3) ?
Cu1 Ag2 Ag3 . . 100.67(6) ?
Br1 Ag2 Ag3 . . 102.46(4) ?
C1 Ag2 Ag2 . 3_565 94.3(3) ?
Ag5 Ag2 Ag2 . 3_565 102.53(4) ?
Ag4 Ag2 Ag2 2_665 3_565 116.15(3) ?
Cu1 Ag2 Ag2 . 3_565 55.52(3) ?
Br1 Ag2 Ag2 . 3_565 72.09(5) ?
Ag3 Ag2 Ag2 . 3_565 57.36(3) ?
C1 Ag2 Ag2 . 2_665 87.8(3) ?
Ag5 Ag2 Ag2 . 2_665 115.90(3) ?
Ag4 Ag2 Ag2 2_665 2_665 73.95(4) ?
Cu1 Ag2 Ag2 . 2_665 55.53(4) ?
Br1 Ag2 Ag2 . 2_665 131.65(5) ?
Ag3 Ag2 Ag2 . 2_665 57.36(3) ?
Ag2 Ag2 Ag2 3_565 2_665 60.00(3) ?
Ag4 Ag3 Ag4 3_565 2_665 118.09(3) ?
Ag4 Ag3 Ag4 3_565 . 118.095(19) ?
Ag4 Ag3 Ag4 2_665 . 118.09(3) ?
Ag4 Ag3 Ag5 3_565 3_565 65.64(3) ?
Ag4 Ag3 Ag5 2_665 3_565 173.23(5) ?
Ag4 Ag3 Ag5 . 3_565 56.16(4) ?
Ag4 Ag3 Ag5 3_565 . 173.23(5) ?
Ag4 Ag3 Ag5 2_665 . 56.15(3) ?
Ag4 Ag3 Ag5 . . 65.64(3) ?
Ag5 Ag3 Ag5 3_565 . 119.684(17) ?
Ag4 Ag3 Ag5 3_565 2_665 56.15(3) ?
Ag4 Ag3 Ag5 2_665 2_665 65.64(4) ?
Ag4 Ag3 Ag5 . 2_665 173.23(5) ?
Ag5 Ag3 Ag5 3_565 2_665 119.68(3) ?
Ag5 Ag3 Ag5 . 2_665 119.684(14) ?
Ag4 Ag3 Ag1 3_565 3_565 66.61(4) ?
Ag4 Ag3 Ag1 2_665 3_565 119.54(5) ?
Ag4 Ag3 Ag1 . 3_565 104.84(4) ?
Ag5 Ag3 Ag1 3_565 3_565 66.86(3) ?
Ag5 Ag3 Ag1 . 3_565 118.73(5) ?
Ag5 Ag3 Ag1 2_665 3_565 76.66(4) ?
Ag4 Ag3 Ag1 3_565 2_665 104.84(4) ?
Ag4 Ag3 Ag1 2_665 2_665 66.61(3) ?
Ag4 Ag3 Ag1 . 2_665 119.54(5) ?
Ag5 Ag3 Ag1 3_565 2_665 118.73(5) ?
Ag5 Ag3 Ag1 . 2_665 76.66(4) ?
Ag5 Ag3 Ag1 2_665 2_665 66.86(3) ?
Ag1 Ag3 Ag1 3_565 2_665 55.48(5) ?
Ag4 Ag3 Ag1 3_565 . 119.54(5) ?
Ag4 Ag3 Ag1 2_665 . 104.84(4) ?
Ag4 Ag3 Ag1 . . 66.61(3) ?
Ag5 Ag3 Ag1 3_565 . 76.66(4) ?
Ag5 Ag3 Ag1 . . 66.86(3) ?
Ag5 Ag3 Ag1 2_665 . 118.73(5) ?
Ag1 Ag3 Ag1 3_565 . 55.48(5) ?
Ag1 Ag3 Ag1 2_665 . 55.48(4) ?
Ag4 Ag3 Ag2 3_565 . 118.80(6) ?
Ag4 Ag3 Ag2 2_665 . 56.09(3) ?
Ag4 Ag3 Ag2 . . 75.49(4) ?
Ag5 Ag3 Ag2 3_565 . 117.35(4) ?
Ag5 Ag3 Ag2 . . 55.65(4) ?
Ag5 Ag3 Ag2 2_665 . 103.75(4) ?
Ag1 Ag3 Ag2 3_565 . 173.90(4) ?
Ag1 Ag3 Ag2 2_665 . 118.90(4) ?
Ag1 Ag3 Ag2 . . 120.12(4) ?
Ag4 Ag3 Ag2 3_565 3_565 75.49(3) ?
Ag4 Ag3 Ag2 2_665 3_565 118.79(6) ?
Ag4 Ag3 Ag2 . 3_565 56.09(3) ?
Ag5 Ag3 Ag2 3_565 3_565 55.66(3) ?
Ag5 Ag3 Ag2 . 3_565 103.75(4) ?
Ag5 Ag3 Ag2 2_665 3_565 117.34(4) ?
Ag1 Ag3 Ag2 3_565 3_565 120.12(4) ?
Ag1 Ag3 Ag2 2_665 3_565 173.90(4) ?
Ag1 Ag3 Ag2 . 3_565 118.90(3) ?
Ag2 Ag3 Ag2 . 3_565 65.27(5) ?
Ag4 Ag3 Ag2 3_565 2_665 56.09(3) ?
Ag4 Ag3 Ag2 2_665 2_665 75.49(4) ?
Ag4 Ag3 Ag2 . 2_665 118.80(6) ?
Ag5 Ag3 Ag2 3_565 2_665 103.75(4) ?
Ag5 Ag3 Ag2 . 2_665 117.34(4) ?
Ag5 Ag3 Ag2 2_665 2_665 55.66(3) ?
Ag1 Ag3 Ag2 3_565 2_665 118.90(4) ?
Ag1 Ag3 Ag2 2_665 2_665 120.12(3) ?
Ag1 Ag3 Ag2 . 2_665 173.90(4) ?
Ag2 Ag3 Ag2 . 2_665 65.28(5) ?
Ag2 Ag3 Ag2 3_565 2_665 65.27(5) ?
C31 Ag4 Ag5 . 3_565 124.9(3) ?
C31 Ag4 Ag2 . 3_565 156.4(3) ?
Ag5 Ag4 Ag2 3_565 3_565 59.89(4) ?
C31 Ag4 Cu2 . . 43.0(3) ?
Ag5 Ag4 Cu2 3_565 . 125.82(6) ?
Ag2 Ag4 Cu2 3_565 . 157.62(5) ?
C31 Ag4 Br1 . . 91.4(3) ?
Ag5 Ag4 Br1 3_565 . 138.55(5) ?
Ag2 Ag4 Br1 3_565 . 78.85(6) ?
Cu2 Ag4 Br1 . . 93.79(6) ?
C31 Ag4 Ag3 . . 140.9(3) ?
Ag5 Ag4 Ag3 3_565 . 62.51(3) ?
Ag2 Ag4 Ag3 3_565 . 62.67(4) ?
Cu2 Ag4 Ag3 . . 99.33(5) ?
Br1 Ag4 Ag3 . . 103.41(5) ?
C31 Ag4 Ag5 . . 94.5(3) ?
Ag5 Ag4 Ag5 3_565 . 118.11(5) ?
Ag2 Ag4 Ag5 3_565 . 102.64(4) ?
Cu2 Ag4 Ag5 . . 55.03(4) ?
Br1 Ag4 Ag5 . . 72.23(4) ?
Ag3 Ag4 Ag5 . . 57.67(4) ?
C31 Ag4 Ag1 . . 86.1(3) ?
Ag5 Ag4 Ag1 3_565 . 74.95(4) ?
Ag2 Ag4 Ag1 3_565 . 116.23(4) ?
Cu2 Ag4 Ag1 . . 54.58(4) ?
Br1 Ag4 Ag1 . . 132.77(5) ?
Ag3 Ag4 Ag1 . . 57.18(4) ?
Ag5 Ag4 Ag1 . . 61.01(3) ?
C11 Ag5 Ag2 . . 127.0(3) ?
C11 Ag5 Ag4 . 2_665 156.4(3) ?
Ag2 Ag5 Ag4 . 2_665 60.06(3) ?
C11 Ag5 Cu2 . . 43.9(3) ?
Ag2 Ag5 Cu2 . . 126.49(5) ?
Ag4 Ag5 Cu2 2_665 . 155.40(5) ?
C11 Ag5 Br2 . . 90.0(3) ?
Ag2 Ag5 Br2 . . 138.70(5) ?
Ag4 Ag5 Br2 2_665 . 78.70(4) ?
Cu2 Ag5 Br2 . . 91.98(5) ?
C11 Ag5 Ag3 . . 142.0(3) ?
Ag2 Ag5 Ag3 . . 62.31(4) ?
Ag4 Ag5 Ag3 2_665 . 61.33(3) ?
Cu2 Ag5 Ag3 . . 99.05(4) ?
Br2 Ag5 Ag3 . . 101.28(5) ?
C11 Ag5 Ag4 . . 88.5(3) ?
Ag2 Ag5 Ag4 . . 74.17(4) ?
Ag4 Ag5 Ag4 2_665 . 114.56(5) ?
Cu2 Ag5 Ag4 . . 55.66(4) ?
Br2 Ag5 Ag4 . . 130.87(4) ?
Ag3 Ag5 Ag4 . . 56.69(3) ?
C11 Ag5 Ag1 . . 94.7(3) ?
Ag2 Ag5 Ag1 . . 116.64(5) ?
Ag4 Ag5 Ag1 2_665 . 101.03(4) ?
Cu2 Ag5 Ag1 . . 54.38(4) ?
Br2 Ag5 Ag1 . . 71.07(5) ?
Ag3 Ag5 Ag1 . . 56.58(4) ?
Ag4 Ag5 Ag1 . . 60.13(4) ?
C1 Ag6 P1 3_565 . 132.8(3) ?
C1 Ag6 C1 3_565 . 90.1(5) ?
P1 Ag6 C1 . . 116.2(3) ?
C1 Ag6 Cu1 3_565 . 45.3(3) ?
P1 Ag6 Cu1 . . 142.19(11) ?
C1 Ag6 Cu1 . . 44.9(3) ?
C1 Ag6 Br1 3_565 . 101.0(3) ?
P1 Ag6 Br1 . . 114.78(10) ?
C1 Ag6 Br1 . . 93.3(3) ?
Cu1 Ag6 Br1 . . 100.30(7) ?
C11 Ag7 C31 . . 91.1(4) ?
C11 Ag7 P2 . . 134.4(3) ?
C31 Ag7 P2 . . 116.5(3) ?
C11 Ag7 Cu2 . . 45.9(3) ?
C31 Ag7 Cu2 . . 45.2(3) ?
P2 Ag7 Cu2 . . 143.02(12) ?
C11 Ag7 Br1 . . 97.9(3) ?
C31 Ag7 Br1 . . 92.9(3) ?
P2 Ag7 Br1 . . 114.90(12) ?
Cu2 Ag7 Br1 . . 99.52(7) ?
C21 Ag8 P3 . . 132.5(3) ?
C21 Ag8 C11 . . 91.5(4) ?
P3 Ag8 C11 . . 119.0(3) ?
C21 Ag8 Cu2 . . 46.0(3) ?
P3 Ag8 Cu2 . . 144.31(11) ?
C11 Ag8 Cu2 . . 45.5(3) ?
C21 Ag8 Br2 . . 97.1(3) ?
P3 Ag8 Br2 . . 115.90(10) ?
C11 Ag8 Br2 . . 91.5(3) ?
Cu2 Ag8 Br2 . . 98.07(5) ?
C31 Ag9 P4 . . 135.1(3) ?
C31 Ag9 C21 . . 92.3(4) ?
P4 Ag9 C21 . . 117.4(3) ?
C31 Ag9 Cu2 . . 46.4(3) ?
P4 Ag9 Cu2 . . 145.48(10) ?
C21 Ag9 Cu2 . . 46.1(3) ?
C31 Ag9 Br2 . 3_565 96.7(3) ?
P4 Ag9 Br2 . 3_565 113.62(9) ?
C21 Ag9 Br2 . 3_565 92.3(3) ?
Cu2 Ag9 Br2 . 3_565 98.54(5) ?
P5 Ag10 P5 2_655 3_665 112.27(8) ?
P5 Ag10 P5 2_655 . 112.26(8) ?
P5 Ag10 P5 3_665 . 112.27(8) ?
P5 Ag10 Br3 2_655 . 106.51(9) ?
P5 Ag10 Br3 3_665 . 106.51(9) ?
P5 Ag10 Br3 . . 106.51(9) ?
C1 Cu1 C1 2_665 3_565 118.59(16) ?
C1 Cu1 C1 2_665 . 118.59(16) ?
C1 Cu1 C1 3_565 . 118.59(16) ?
C1 Cu1 Ag6 2_665 2_665 60.2(4) ?
C1 Cu1 Ag6 3_565 2_665 159.1(4) ?
C1 Cu1 Ag6 . 2_665 58.4(4) ?
C1 Cu1 Ag6 2_665 3_565 58.4(4) ?
C1 Cu1 Ag6 3_565 3_565 60.2(4) ?
C1 Cu1 Ag6 . 3_565 159.1(4) ?
Ag6 Cu1 Ag6 2_665 3_565 114.37(4) ?
C1 Cu1 Ag6 2_665 . 159.1(4) ?
C1 Cu1 Ag6 3_565 . 58.4(4) ?
C1 Cu1 Ag6 . . 60.2(4) ?
Ag6 Cu1 Ag6 2_665 . 114.37(5) ?
Ag6 Cu1 Ag6 3_565 . 114.37(5) ?
C1 Cu1 Ag2 2_665 3_565 109.4(4) ?
C1 Cu1 Ag2 3_565 3_565 56.5(4) ?
C1 Cu1 Ag2 . 3_565 119.4(4) ?
Ag6 Cu1 Ag2 2_665 3_565 144.28(9) ?
Ag6 Cu1 Ag2 3_565 3_565 78.42(4) ?
Ag6 Cu1 Ag2 . 3_565 86.37(4) ?
C1 Cu1 Ag2 2_665 2_665 56.5(4) ?
C1 Cu1 Ag2 3_565 2_665 119.4(4) ?
C1 Cu1 Ag2 . 2_665 109.4(4) ?
Ag6 Cu1 Ag2 2_665 2_665 78.42(4) ?
Ag6 Cu1 Ag2 3_565 2_665 86.37(5) ?
Ag6 Cu1 Ag2 . 2_665 144.28(9) ?
Ag2 Cu1 Ag2 3_565 2_665 68.95(6) ?
C1 Cu1 Ag2 2_665 . 119.4(4) ?
C1 Cu1 Ag2 3_565 . 109.4(4) ?
C1 Cu1 Ag2 . . 56.5(4) ?
Ag6 Cu1 Ag2 2_665 . 86.37(4) ?
Ag6 Cu1 Ag2 3_565 . 144.28(9) ?
Ag6 Cu1 Ag2 . . 78.42(5) ?
Ag2 Cu1 Ag2 3_565 . 68.95(6) ?
Ag2 Cu1 Ag2 2_665 . 68.95(7) ?
C31 Cu2 C11 . . 118.9(6) ?
C31 Cu2 C21 . . 119.1(5) ?
C11 Cu2 C21 . . 118.1(6) ?
C31 Cu2 Ag9 . . 58.0(4) ?
C11 Cu2 Ag9 . . 157.0(3) ?
C21 Cu2 Ag9 . . 61.3(4) ?
C31 Cu2 Ag7 . . 60.1(4) ?
C11 Cu2 Ag7 . . 58.9(4) ?
C21 Cu2 Ag7 . . 157.2(3) ?
Ag9 Cu2 Ag7 . . 111.74(7) ?
C31 Cu2 Ag8 . . 157.3(3) ?
C11 Cu2 Ag8 . . 60.3(4) ?
C21 Cu2 Ag8 . . 57.9(4) ?
Ag9 Cu2 Ag8 . . 112.84(7) ?
Ag7 Cu2 Ag8 . . 113.00(7) ?
C31 Cu2 Ag5 . . 119.5(4) ?
C11 Cu2 Ag5 . . 54.9(3) ?
C21 Cu2 Ag5 . . 109.5(3) ?
Ag9 Cu2 Ag5 . . 148.10(6) ?
Ag7 Cu2 Ag5 . . 87.41(6) ?
Ag8 Cu2 Ag5 . . 79.73(5) ?
C31 Cu2 Ag1 . . 108.1(4) ?
C11 Cu2 Ag1 . . 120.4(3) ?
C21 Cu2 Ag1 . . 55.9(3) ?
Ag9 Cu2 Ag1 . . 79.50(5) ?
Ag7 Cu2 Ag1 . . 146.69(7) ?
Ag8 Cu2 Ag1 . . 88.72(6) ?
Ag5 Cu2 Ag1 . . 71.34(4) ?
C31 Cu2 Ag4 . . 55.8(3) ?
C11 Cu2 Ag4 . . 107.8(4) ?
C21 Cu2 Ag4 . . 121.3(4) ?
Ag9 Cu2 Ag4 . . 89.14(6) ?
Ag7 Cu2 Ag4 . . 78.37(6) ?
Ag8 Cu2 Ag4 . . 146.69(6) ?
Ag5 Cu2 Ag4 . . 69.31(4) ?
Ag1 Cu2 Ag4 . . 70.32(5) ?
Ag6 Br1 Ag7 . . 159.64(6) ?
Ag6 Br1 Ag2 . . 76.97(4) ?
Ag7 Br1 Ag2 . . 120.45(6) ?
Ag6 Br1 Ag4 . . 120.89(6) ?
Ag7 Br1 Ag4 . . 75.62(6) ?
Ag2 Br1 Ag4 . . 78.65(4) ?
Ag8 Br2 Ag9 . 2_665 159.24(5) ?
Ag8 Br2 Ag1 . 2_665 121.18(5) ?
Ag9 Br2 Ag1 2_665 2_665 75.73(4) ?
Ag8 Br2 Ag5 . . 76.47(4) ?
Ag9 Br2 Ag5 2_665 . 120.99(5) ?
Ag1 Br2 Ag5 2_665 . 79.91(4) ?
C47 P1 C41 . . 103.5(7) ?
C47 P1 C53 . . 103.7(7) ?
C41 P1 C53 . . 105.5(7) ?
C47 P1 Ag6 . . 117.5(6) ?
C41 P1 Ag6 . . 112.4(5) ?
C53 P1 Ag6 . . 113.0(5) ?
C65A P2 C59 . . 96.3(19) ?
C65A P2 C71 . . 98.1(18) ?
C59 P2 C71 . . 106.7(8) ?
C59 P2 C65B . . 105.4(11) ?
C71 P2 C65B . . 105.2(12) ?
C65A P2 Ag7 . . 130.2(16) ?
C59 P2 Ag7 . . 111.5(6) ?
C71 P2 Ag7 . . 111.3(5) ?
C65B P2 Ag7 . . 116.0(11) ?
C77 P3 C89 . . 103.1(7) ?
C77 P3 C83 . . 103.4(6) ?
C89 P3 C83 . . 105.2(7) ?
C77 P3 Ag8 . . 118.0(5) ?
C89 P3 Ag8 . . 113.1(5) ?
C83 P3 Ag8 . . 112.6(4) ?
C101 P4 C95 . . 103.0(7) ?
C101 P4 C107 . . 104.8(6) ?
C95 P4 C107 . . 104.3(6) ?
C101 P4 Ag9 . . 112.7(4) ?
C95 P4 Ag9 . . 117.1(5) ?
C107 P4 Ag9 . . 113.5(5) ?
C125 P5 C119 . . 100.0(6) ?
C125 P5 C113 . . 103.6(7) ?
C119 P5 C113 . . 105.1(6) ?
C125 P5 Ag10 . . 113.4(4) ?
C119 P5 Ag10 . . 120.7(5) ?
C113 P5 Ag10 . . 112.1(4) ?
C2 C1 Cu1 . . 168.9(11) ?
C2 C1 Ag6 . 2_665 99.2(9) ?
Cu1 C1 Ag6 . 2_665 76.3(4) ?
C2 C1 Ag6 . . 113.0(9) ?
Cu1 C1 Ag6 . . 74.9(4) ?
Ag6 C1 Ag6 2_665 . 142.5(6) ?
C2 C1 Ag2 . . 90.5(8) ?
Cu1 C1 Ag2 . . 81.0(4) ?
Ag6 C1 Ag2 2_665 . 105.6(5) ?
Ag6 C1 Ag2 . . 93.2(4) ?
C1 C2 C3 . . 172.4(13) ?
C8 C3 C4 . . 118.2(16) ?
C8 C3 C2 . . 121.9(14) ?
C4 C3 C2 . . 119.9(15) ?
C3 C4 C5 . . 118.(2) ?
C3 C4 H4 . . 121.2 ?
C5 C4 H4 . . 121.2 ?
C6 C5 C4 . . 124.(2) ?
C6 C5 H5 . . 118.1 ?
C4 C5 H5 . . 118.1 ?
C5 C6 C7 . . 116.7(19) ?
C5 C6 C9 . . 123.(3) ?
C7 C6 C9 . . 118.(3) ?
C8 C7 C6 . . 115.(2) ?
C8 C7 H7 . . 122.3 ?
C6 C7 H7 . . 122.3 ?
C3 C8 C7 . . 126.6(19) ?
C3 C8 H8 . . 116.7 ?
C7 C8 H8 . . 116.7 ?
C6 C9 H9A . . 109.5 ?
C6 C9 H9B . . 109.5 ?
H9A C9 H9B . . 109.5 ?
C6 C9 H9C . . 109.5 ?
H9A C9 H9C . . 109.5 ?
H9B C9 H9C . . 109.5 ?
C12 C11 Cu2 . . 172.8(12) ?
C12 C11 Ag5 . . 96.2(10) ?
Cu2 C11 Ag5 . . 81.2(4) ?
C12 C11 Ag7 . . 99.4(11) ?
Cu2 C11 Ag7 . . 75.1(4) ?
Ag5 C11 Ag7 . . 107.7(5) ?
C12 C11 Ag8 . . 112.9(11) ?
Cu2 C11 Ag8 . . 74.2(4) ?
Ag5 C11 Ag8 . . 95.8(4) ?
Ag7 C11 Ag8 . . 137.6(5) ?
C11 C12 C13 . . 169.4(16) ?
C14 C13 C18 . . 121.2(16) ?
C14 C13 C12 . . 118.4(15) ?
C18 C13 C12 . . 119.4(15) ?
C13 C14 C15 . . 114.8(19) ?
C13 C14 H14 . . 122.6 ?
C15 C14 H14 . . 122.6 ?
C16 C15 C14 . . 125.(2) ?
C16 C15 H15 . . 117.6 ?
C14 C15 H15 . . 117.6 ?
C15 C16 C17 . . 116.2(18) ?
C15 C16 C19 . . 129.(3) ?
C17 C16 C19 . . 115.(2) ?
C18 C17 C16 . . 125.1(19) ?
C18 C17 H17 . . 117.4 ?
C16 C17 H17 . . 117.4 ?
C17 C18 C13 . . 115.5(19) ?
C17 C18 H18 . . 122.2 ?
C13 C18 H18 . . 122.2 ?
C16 C19 H19A . . 109.5 ?
C16 C19 H19B . . 109.5 ?
H19A C19 H19B . . 109.5 ?
C16 C19 H19C . . 109.5 ?
H19A C19 H19C . . 109.5 ?
H19B C19 H19C . . 109.5 ?
C22 C21 Cu2 . . 172.2(11) ?
C22 C21 Ag8 . . 101.4(10) ?
Cu2 C21 Ag8 . . 76.0(4) ?
C22 C21 Ag1 . . 93.7(9) ?
Cu2 C21 Ag1 . . 80.4(4) ?
Ag8 C21 Ag1 . . 109.5(5) ?
C22 C21 Ag9 . . 113.1(10) ?
Cu2 C21 Ag9 . . 72.7(4) ?
Ag8 C21 Ag9 . . 137.0(5) ?
Ag1 C21 Ag9 . . 93.6(4) ?
C21 C22 C23 . . 174.8(13) ?
C24 C23 C28 . . 119.1(14) ?
C24 C23 C22 . . 121.3(12) ?
C28 C23 C22 . . 119.6(13) ?
C23 C24 C25 . . 120.9(16) ?
C23 C24 H24 . . 119.6 ?
C25 C24 H24 . . 119.6 ?
C26 C25 C24 . . 121.7(17) ?
C26 C25 H25 . . 119.1 ?
C24 C25 H25 . . 119.1 ?
C25 C26 C27 . . 117.9(15) ?
C25 C26 C29 . . 121.(2) ?
C27 C26 C29 . . 121.(2) ?
C26 C27 C28 . . 120.3(17) ?
C26 C27 H27 . . 119.9 ?
C28 C27 H27 . . 119.9 ?
C23 C28 C27 . . 119.8(16) ?
C23 C28 H28 . . 120.1 ?
C27 C28 H28 . . 120.1 ?
C26 C29 H29A . . 109.5 ?
C26 C29 H29B . . 109.5 ?
H29A C29 H29B . . 109.5 ?
C26 C29 H29C . . 109.5 ?
H29A C29 H29C . . 109.5 ?
H29B C29 H29C . . 109.5 ?
C32 C31 Cu2 . . 167.0(11) ?
C32 C31 Ag9 . . 98.8(10) ?
Cu2 C31 Ag9 . . 75.7(4) ?
C32 C31 Ag4 . . 89.9(8) ?
Cu2 C31 Ag4 . . 81.2(4) ?
Ag9 C31 Ag4 . . 110.4(5) ?
C32 C31 Ag7 . . 115.7(10) ?
Cu2 C31 Ag7 . . 74.7(4) ?
Ag9 C31 Ag7 . . 138.0(6) ?
Ag4 C31 Ag7 . . 93.7(5) ?
C31 C32 C33 . . 173.5(15) ?
C38 C33 C34 . . 121.3(15) ?
C38 C33 C32 . . 120.3(15) ?
C34 C33 C32 . . 118.4(14) ?
C33 C34 C35 . . 121.6(17) ?
C33 C34 H34 . . 119.2 ?
C35 C34 H34 . . 119.2 ?
C34 C35 C36 . . 115.(2) ?
C34 C35 H35 . . 122.4 ?
C36 C35 H35 . . 122.4 ?
C37 C36 C35 . . 120.4(17) ?
C37 C36 C39 . . 124.9(19) ?
C35 C36 C39 . . 114.(2) ?
C36 C37 C38 . . 123.3(18) ?
C36 C37 H37 . . 118.3 ?
C38 C37 H37 . . 118.3 ?
C33 C38 C37 . . 117.4(19) ?
C33 C38 H38 . . 121.3 ?
C37 C38 H38 . . 121.3 ?
C36 C39 H39A . . 109.5 ?
C36 C39 H39B . . 109.5 ?
H39A C39 H39B . . 109.5 ?
C36 C39 H39C . . 109.5 ?
H39A C39 H39C . . 109.5 ?
H39B C39 H39C . . 109.5 ?
C46 C41 C42 . . 119.6(14) ?
C46 C41 P1 . . 126.0(12) ?
C42 C41 P1 . . 114.4(12) ?
C43 C42 C41 . . 118.8(14) ?
C43 C42 H42 . . 120.6 ?
C41 C42 H42 . . 120.6 ?
C42 C43 C44 . . 121.1(15) ?
C42 C43 H43 . . 119.4 ?
C44 C43 H43 . . 119.4 ?
C45 C44 C43 . . 118.4(15) ?
C45 C44 H44 . . 120.8 ?
C43 C44 H44 . . 120.8 ?
C44 C45 C46 . . 121.1(16) ?
C44 C45 H45 . . 119.4 ?
C46 C45 H45 . . 119.4 ?
C41 C46 C45 . . 120.9(15) ?
C41 C46 H46 . . 119.6 ?
C45 C46 H46 . . 119.6 ?
C52 C47 C48 . . 117.5(17) ?
C52 C47 P1 . . 124.1(13) ?
C48 C47 P1 . . 118.3(13) ?
C49 C48 C47 . . 121.9(18) ?
C49 C48 H48 . . 119.0 ?
C47 C48 H48 . . 119.0 ?
C48 C49 C50 . . 120.2(19) ?
C48 C49 H49 . . 119.9 ?
C50 C49 H49 . . 119.9 ?
C51 C50 C49 . . 120.7(18) ?
C51 C50 H50 . . 119.7 ?
C49 C50 H50 . . 119.7 ?
C50 C51 C52 . . 117.(2) ?
C50 C51 H51 . . 121.6 ?
C52 C51 H51 . . 121.6 ?
C47 C52 C51 . . 121.9(18) ?
C47 C52 H52 . . 119.1 ?
C51 C52 H52 . . 119.1 ?
C54 C53 C58 . . 121.2(13) ?
C54 C53 P1 . . 122.4(12) ?
C58 C53 P1 . . 116.4(10) ?
C53 C54 C55 . . 119.8(15) ?
C53 C54 H54 . . 120.1 ?
C55 C54 H54 . . 120.1 ?
C56 C55 C54 . . 120.1(15) ?
C56 C55 H55 . . 119.9 ?
C54 C55 H55 . . 119.9 ?
C55 C56 C57 . . 119.0(14) ?
C55 C56 H56 . . 120.5 ?
C57 C56 H56 . . 120.5 ?
C58 C57 C56 . . 119.4(15) ?
C58 C57 H57 . . 120.3 ?
C56 C57 H57 . . 120.3 ?
C57 C58 C53 . . 120.2(14) ?
C57 C58 H58 . . 119.9 ?
C53 C58 H58 . . 119.9 ?
C60 C59 C64 . . 114.6(19) ?
C60 C59 P2 . . 119.3(14) ?
C64 C59 P2 . . 126.0(15) ?
C59 C60 C61 . . 120.6(17) ?
C59 C60 H60 . . 119.7 ?
C61 C60 H60 . . 119.7 ?
C62 C61 C60 . . 123.(2) ?
C62 C61 H61 . . 118.7 ?
C60 C61 H61 . . 118.7 ?
C61 C62 C63 . . 118.(2) ?
C61 C62 H62 . . 121.0 ?
C63 C62 H62 . . 121.0 ?
C64 C63 C62 . . 119.(2) ?
C64 C63 H63 . . 120.6 ?
C62 C63 H63 . . 120.6 ?
C63 C64 C59 . . 125.(2) ?
C63 C64 H64 . . 117.5 ?
C59 C64 H64 . . 117.5 ?
C66A C65A C70A . . 120.0 ?
C66A C65A P2 . . 133.(3) ?
C70A C65A P2 . . 107.(3) ?
C65A C66A C67A . . 120.0 ?
C65A C66A H66A . . 120.0 ?
C67A C66A H66A . . 120.0 ?
C66A C67A C68A . . 120.0 ?
C66A C67A H67A . . 120.0 ?
C68A C67A H67A . . 120.0 ?
C69A C68A C67A . . 120.00(6) ?
C69A C68A H68A . . 120.0 ?
C67A C68A H68A . . 120.0 ?
C68A C69A C70A . . 120.0 ?
C68A C69A H69A . . 120.0 ?
C70A C69A H69A . . 120.0 ?
C69A C70A C65A . . 120.0 ?
C69A C70A H70A . . 120.0 ?
C65A C70A H70A . . 120.0 ?
C66B C65B C70B . . 120.0 ?
C66B C65B P2 . . 121.0(16) ?
C70B C65B P2 . . 119.0(16) ?
C67B C66B C65B . . 120.0 ?
C67B C66B H66B . . 120.0 ?
C65B C66B H66B . . 120.0 ?
C66B C67B C68B . . 120.0 ?
C66B C67B H67B . . 120.0 ?
C68B C67B H67B . . 120.0 ?
C67B C68B C69B . . 120.0 ?
C67B C68B H68B . . 120.0 ?
C69B C68B H68B . . 120.0 ?
C70B C69B C68B . . 120.0 ?
C70B C69B H69B . . 120.0 ?
C68B C69B H69B . . 120.0 ?
C69B C70B C65B . . 120.0 ?
C69B C70B H70B . . 120.0 ?
C65B C70B H70B . . 120.0 ?
C72 C71 C76 . . 120.0 ?
C72 C71 P2 . . 121.8(8) ?
C76 C71 P2 . . 118.2(8) ?
C71 C72 C73 . . 120.0 ?
C71 C72 H72 . . 120.0 ?
C73 C72 H72 . . 120.0 ?
C74 C73 C72 . . 120.0 ?
C74 C73 H73 . . 120.0 ?
C72 C73 H73 . . 120.0 ?
C73 C74 C75 . . 120.0 ?
C73 C74 H74 . . 120.0 ?
C75 C74 H74 . . 120.0 ?
C76 C75 C74 . . 120.0 ?
C76 C75 H75 . . 120.0 ?
C74 C75 H75 . . 120.0 ?
C75 C76 C71 . . 120.0 ?
C75 C76 H76 . . 120.0 ?
C71 C76 H76 . . 120.0 ?
C78 C77 C82 . . 116.5(15) ?
C78 C77 P3 . . 127.7(12) ?
C82 C77 P3 . . 115.7(11) ?
C79 C78 C77 . . 124.2(18) ?
C79 C78 H78 . . 117.9 ?
C77 C78 H78 . . 117.9 ?
C78 C79 C80 . . 120.8(19) ?
C78 C79 H79 . . 119.6 ?
C80 C79 H79 . . 119.6 ?
C79 C80 C81 . . 119.1(17) ?
C79 C80 H80 . . 120.4 ?
C81 C80 H80 . . 120.4 ?
C82 C81 C80 . . 119.4(16) ?
C82 C81 H81 . . 120.3 ?
C80 C81 H81 . . 120.3 ?
C81 C82 C77 . . 119.9(14) ?
C81 C82 H82 . . 120.1 ?
C77 C82 H82 . . 120.1 ?
C84 C83 C88 . . 120.0 ?
C84 C83 P3 . . 122.1(6) ?
C88 C83 P3 . . 117.9(6) ?
C85 C84 C83 . . 120.0 ?
C85 C84 H84 . . 120.0 ?
C83 C84 H84 . . 120.0 ?
C86 C85 C84 . . 120.0 ?
C86 C85 H85 . . 120.0 ?
C84 C85 H85 . . 120.0 ?
C85 C86 C87 . . 120.0 ?
C85 C86 H86 . . 120.0 ?
C87 C86 H86 . . 120.0 ?
C88 C87 C86 . . 120.0 ?
C88 C87 H87 . . 120.0 ?
C86 C87 H87 . . 120.0 ?
C87 C88 C83 . . 120.0 ?
C87 C88 H88 . . 120.0 ?
C83 C88 H88 . . 120.0 ?
C94 C89 C90 . . 119.7(16) ?
C94 C89 P3 . . 118.6(12) ?
C90 C89 P3 . . 121.5(14) ?
C91 C90 C89 . . 118.2(19) ?
C91 C90 H90 . . 120.9 ?
C89 C90 H90 . . 120.9 ?
C90 C91 C92 . . 120.7(18) ?
C90 C91 H91 . . 119.7 ?
C92 C91 H91 . . 119.7 ?
C93 C92 C91 . . 118.7(18) ?
C93 C92 H92 . . 120.7 ?
C91 C92 H92 . . 120.7 ?
C92 C93 C94 . . 120.7(18) ?
C92 C93 H93 . . 119.7 ?
C94 C93 H93 . . 119.7 ?
C89 C94 C93 . . 121.7(15) ?
C89 C94 H94 . . 119.1 ?
C93 C94 H94 . . 119.1 ?
C100 C95 C96 . . 116.3(15) ?
C100 C95 P4 . . 126.7(13) ?
C96 C95 P4 . . 117.0(12) ?
C97 C96 C95 . . 120.5(17) ?
C97 C96 H96 . . 119.8 ?
C95 C96 H96 . . 119.8 ?
C96 C97 C98 . . 118.9(19) ?
C96 C97 H97 . . 120.6 ?
C98 C97 H97 . . 120.6 ?
C99 C98 C97 . . 118.9(18) ?
C99 C98 H98 . . 120.6 ?
C97 C98 H98 . . 120.6 ?
C100 C99 C98 . . 119.6(19) ?
C100 C99 H99 . . 120.2 ?
C98 C99 H99 . . 120.2 ?
C99 C100 C95 . . 125.6(18) ?
C99 C100 H100 . . 117.2 ?
C95 C100 H100 . . 117.2 ?
C102 C101 C106 . . 115.8(14) ?
C102 C101 P4 . . 120.9(11) ?
C106 C101 P4 . . 123.3(11) ?
C103 C102 C101 . . 124.6(16) ?
C103 C102 H102 . . 117.7 ?
C101 C102 H102 . . 117.7 ?
C104 C103 C102 . . 119.3(15) ?
C104 C103 H103 . . 120.4 ?
C102 C103 H103 . . 120.4 ?
C103 C104 C105 . . 120.6(15) ?
C103 C104 H104 . . 119.7 ?
C105 C104 H104 . . 119.7 ?
C106 C105 C104 . . 116.7(16) ?
C106 C105 H105 . . 121.7 ?
C104 C105 H105 . . 121.7 ?
C105 C106 C101 . . 123.0(15) ?
C105 C106 H106 . . 118.5 ?
C101 C106 H106 . . 118.5 ?
C108 C107 C112 . . 117.0(14) ?
C108 C107 P4 . . 119.3(11) ?
C112 C107 P4 . . 123.7(11) ?
C107 C108 C109 . . 122.1(15) ?
C107 C108 H108 . . 119.0 ?
C109 C108 H108 . . 119.0 ?
C108 C109 C110 . . 118.1(16) ?
C108 C109 H109 . . 120.9 ?
C110 C109 H109 . . 120.9 ?
C111 C110 C109 . . 121.5(15) ?
C111 C110 H110 . . 119.3 ?
C109 C110 H110 . . 119.3 ?
C110 C111 C112 . . 120.9(15) ?
C110 C111 H111 . . 119.5 ?
C112 C111 H111 . . 119.5 ?
C111 C112 C107 . . 120.2(15) ?
C111 C112 H112 . . 119.9 ?
C107 C112 H112 . . 119.9 ?
C114 C113 C118 . . 118.7(14) ?
C114 C113 P5 . . 123.6(12) ?
C118 C113 P5 . . 117.3(10) ?
C113 C114 C115 . . 119.4(19) ?
C113 C114 H114 . . 120.3 ?
C115 C114 H114 . . 120.3 ?
C116 C115 C114 . . 122.5(19) ?
C116 C115 H115 . . 118.7 ?
C114 C115 H115 . . 118.7 ?
C115 C116 C117 . . 119.3(16) ?
C115 C116 H116 . . 120.3 ?
C117 C116 H116 . . 120.3 ?
C118 C117 C116 . . 116.6(17) ?
C118 C117 H117 . . 121.7 ?
C116 C117 H117 . . 121.7 ?
C117 C118 C113 . . 123.4(16) ?
C117 C118 H118 . . 118.3 ?
C113 C118 H118 . . 118.3 ?
C124 C119 C120 . . 119.1(14) ?
C124 C119 P5 . . 117.4(12) ?
C120 C119 P5 . . 123.4(13) ?
C119 C120 C121 . . 121.(2) ?
C119 C120 H120 . . 119.3 ?
C121 C120 H120 . . 119.3 ?
C122 C121 C120 . . 122.(2) ?
C122 C121 H121 . . 119.2 ?
C120 C121 H121 . . 119.2 ?
C121 C122 C123 . . 121.1(16) ?
C121 C122 H122 . . 119.4 ?
C123 C122 H122 . . 119.4 ?
C124 C123 C122 . . 114.6(18) ?
C124 C123 H123 . . 122.7 ?
C122 C123 H123 . . 122.7 ?
C119 C124 C123 . . 122.2(19) ?
C119 C124 H124 . . 118.9 ?
C123 C124 H124 . . 118.9 ?
C126 C125 C130 . . 118.7(15) ?
C126 C125 P5 . . 124.9(12) ?
C130 C125 P5 . . 116.1(10) ?
C125 C126 C127 . . 119.8(19) ?
C125 C126 H126 . . 120.1 ?
C127 C126 H126 . . 120.1 ?
C128 C127 C126 . . 120.(2) ?
C128 C127 H127 . . 119.8 ?
C126 C127 H127 . . 119.8 ?
C127 C128 C129 . . 120.8(17) ?
C127 C128 H128 . . 119.6 ?
C129 C128 H128 . . 119.6 ?
C130 C129 C128 . . 119.6(18) ?
C130 C129 H129 . . 120.2 ?
C128 C129 H129 . . 120.2 ?
C129 C130 C125 . . 120.3(16) ?
C129 C130 H130 . . 119.9 ?
C125 C130 H130 . . 119.9 ?
F5A P7A F3A . . 90.8 ?
F5A P7A F4A . . 90.9 ?
F3A P7A F4A . . 178.16(6) ?
F5A P7A F1A . . 89.6 ?
F3A P7A F1A . . 89.9 ?
F4A P7A F1A . . 89.6 ?
F5A P7A F2A . . 90.0 ?
F3A P7A F2A . . 90.3 ?
F4A P7A F2A . . 90.2 ?
F1A P7A F2A . . 179.60(18) ?
F5A P7A F6A . . 179.82(11) ?
F3A P7A F6A . . 89.2 ?
F4A P7A F6A . . 89.0 ?
F1A P7A F6A . . 90.2 ?
F2A P7A F6A . . 90.1 ?
F5B P7B F3B . . 90.9 ?
F5B P7B F4B . . 90.9 ?
F3B P7B F4B . . 178.18(9) ?
F5B P7B F1B . . 89.6 ?
F3B P7B F1B . . 89.9 ?
F4B P7B F1B . . 89.6 ?
F5B P7B F2B . . 90.0 ?
F3B P7B F2B . . 90.3 ?
F4B P7B F2B . . 90.2 ?
F1B P7B F2B . . 179.60(12) ?
F5B P7B F6B . . 179.83(6) ?
F3B P7B F6B . . 89.2 ?
F4B P7B F6B . . 89.1 ?
F1B P7B F6B . . 90.2 ?
F2B P7B F6B . . 90.2 ?
F8A P8 F8A . 3_665 91.(2) ?
F8A P8 F8A . 2_655 91.(2) ?
F8A P8 F8A 3_665 2_655 91.(2) ?
F8A P8 F8B . 2_655 105.2(18) ?
F8A P8 F8B 3_665 2_655 54.8(17) ?
F8A P8 F8B 2_655 2_655 39.6(16) ?
F8A P8 F8B . 3_665 54.8(17) ?
F8A P8 F8B 3_665 3_665 39.6(17) ?
F8A P8 F8B 2_655 3_665 105.2(18) ?
F8B P8 F8B 2_655 . 83.(2) ?
F8B P8 F8B 3_665 . 83.(2) ?
F8A P8 F7A . . 98.(2) ?
F8A P8 F7A 3_665 . 165.(2) ?
F8A P8 F7A 2_655 . 77.(2) ?
F8A P8 F7A . 2_655 165.(2) ?
F8A P8 F7A 3_665 2_655 77.(2) ?
F8A P8 F7A 2_655 2_655 98.(2) ?
F8B P8 F7A 2_655 2_655 76.(2) ?
F8B P8 F7A 3_665 2_655 111.(2) ?
F8B P8 F7A . 2_655 152.(2) ?
F7A P8 F7A . 2_655 96.(2) ?
F8A P8 F7A . 3_665 77.(2) ?
F8A P8 F7A 3_665 3_665 98.(2) ?
F8A P8 F7A 2_655 3_665 165.(2) ?
F7A P8 F7A . 3_665 96.(2) ?
F7A P8 F7A 2_655 3_665 96.(2) ?
F8A P8 F7B . 2_655 139.(2) ?
F8A P8 F7B 3_665 2_655 70.(2) ?
F8A P8 F7B 2_655 2_655 124.(2) ?
F8B P8 F7B 2_655 2_655 93.(2) ?
F8B P8 F7B 3_665 2_655 93.(2) ?
F8B P8 F7B . 2_655 175.(2) ?
F7A P8 F7B . 2_655 109.0(16) ?
F7A P8 F7B 2_655 2_655 27.7(16) ?
F7A P8 F7B 3_665 2_655 70.5(16) ?
F8A P8 F7B . 3_665 70.(2) ?
F8A P8 F7B 3_665 3_665 124.(2) ?
F8A P8 F7B 2_655 3_665 139.(2) ?
F7A P8 F7B . 3_665 70.5(16) ?
F7A P8 F7B 2_655 3_665 109.0(16) ?
F7A P8 F7B 3_665 3_665 27.7(16) ?
F8B P8 F7B 2_655 . 93.(2) ?
F8B P8 F7B 3_665 . 175.(2) ?
F8B P8 F7B . . 93.(2) ?
F7B P8 F7B 2_655 . 90.(2) ?
F7B P8 F7B 3_665 . 90.(2) ?
P8 F7A F8A . 2_655 48.6(16) ?
P8 F8A F7A . 3_665 54.6(17) ?
Br4 C131 Br5 . . 113.2 ?
Br4 C131 H13A . . 108.9 ?
Br5 C131 H13A . . 108.9 ?
Br4 C131 H13B . . 108.9 ?
Br5 C131 H13B . . 108.9 ?
H13A C131 H13B . . 107.7 ?
Br6 C132 Br7 . . 113.2 ?
Br6 C132 H13C . . 108.9 ?
Br7 C132 H13C . . 108.9 ?
Br6 C132 H13D . . 108.9 ?
Br7 C132 H13D . . 108.9 ?
H13C C132 H13D . . 107.8 ?
Br9 C133 Br8 . . 132.(2) ?
Br9 C133 H13E . . 104.3 ?
Br8 C133 H13E . . 104.3 ?
Br9 C133 H13F . . 104.3 ?
Br8 C133 H13F . . 104.3 ?
H13E C133 H13F . . 105.6 ?
Br10 C134 Br11 . . 113.2 ?
Br10 C134 H13G . . 108.9 ?
Br11 C134 H13G . . 108.9 ?
Br10 C134 H13H . . 108.9 ?
Br11 C134 H13H . . 108.9 ?
H13G C134 H13H . . 107.8 ?
Br12 C135 Br13 . . 113.2 ?
Br12 C135 H13I . . 108.9 ?
Br13 C135 H13I . . 108.9 ?
Br12 C135 H13J . . 108.9 ?
Br13 C135 H13J . . 108.9 ?
H13I C135 H13J . . 107.8 ?
Br14 C136 Br15 . . 113.2 ?
Br14 C136 H13K . . 108.9 ?
Br15 C136 H13K . . 108.9 ?
Br14 C136 H13L . . 108.9 ?
Br15 C136 H13L . . 108.9 ?
H13K C136 H13L . . 107.8 ?

# SQUEEZE RESULTS (Version = 130220)
# 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 0.000 0.000 0.510 134 18 ' '
2 0.667 0.333 0.844 138 19 ' '
3 0.333 0.667 0.177 128 19 ' '
_platon_squeeze_void_probe_radius 1.20
_platon_squeeze_details          ?
# start Validation Reply Form
_vrf_PLAT992_20190624_mikami391  
;
PROBLEM: Repd & Actual _reflns_number_gt Values Differ by        128 Check 
RESPONSE: : CALC FCF-SQ prcess of the platon added 128 refrcs to 20630 reflcs.
;
_vrf_PLAT332_20190624_mikami391  
;
PROBLEM: Large Phenyl C-C Range     C119      -C124     .       0.26 Ang.  
RESPONSE: Due to the disorder.
;
_vrf_PLAT342_20190624_mikami391  
;
PROBLEM: Low Bond Precision on  C-C Bonds ...............     0.0276 Ang.  
RESPONSE: Due to the disorder.
;
_vrf_PLAT934_20190624_mikami391  
;
PROBLEM: Number of (Iobs-Icalc)/Sigma(W) > 10 Outliers ..          3 Check 
RESPONSE: Unknown origin, but the number is limited.
;
_vrf_PLAT990_20190624_mikami391  
;
PROBLEM: Deprecated .res/.hkl Input Style SQUEEZE Job ...          ! Note  
RESPONSE: Since present system can not use the SHELXL20xy. 
;
# end Validation Reply Form

#
# h,k,l, Fc-squared, Fo-squared, sigma(Fo-squared) and status flag
#
#data_C:\wingx\bin\20190624_mikami391_a_sqd
_shelx_title                     
' 20190624_mikami391_a.res in R3                     '
_shelx_refln_list_code           4
_shelx_F_calc_maximum            2691.59
#_exptl_crystal_F_000   14946.05
_reflns_d_resolution_high        0.7709

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

#_cell_length_a 26.54800
#_cell_length_b  26.5480
#_cell_length_c  48.4300
#_cell_angle_alpha   90.000
#_cell_angle_beta   90.000
#_cell_angle_gamma  120.000
_shelx_F_squared_multiplier      1.000



