#------------------------------------------------------------------------------
#$Date: 2021-05-05 11:37:37 +0300 (Wed, 05 May 2021) $
#$Revision: 264898 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/69/7706958.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7706958
loop_
_publ_author_name
'Mikami, Kaiyu'
'Hui, Shen'
'Kubo, Kazuyuki'
'Kume, Shoko'
'Mizuta, Tsutomu'
_publ_section_title
;
 The
 [Ag₂₅Cu₄H₈Br₆(CCPh)₁₂(PPh₃)₁₂]³⁺ : Ag₁₃H₈
 silver hydride core protected by
 [CuAg₃(CCPh)₃(PPh₃)₃]⁺
 motifs.
;
_journal_issue                   16
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5659
_journal_page_last               5665
_journal_paper_doi               10.1039/d1dt00294e
_journal_volume                  50
_journal_year                    2021
_chemical_formula_sum            'C165 H138 Ag6 B2 Cl6 Cu2 F8 P6'
_chemical_formula_weight         3467.19
_space_group_crystal_system      trigonal
_space_group_IT_number           167
_space_group_name_Hall           '-R 3 2"c'
_space_group_name_H-M_alt        'R -3 c :H'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_update_record
;
2021-01-15 deposited with the CCDC.	2021-03-15 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   19.0360
_cell_length_b                   19.0360
_cell_length_c                   71.2990
_cell_measurement_reflns_used    4045
_cell_measurement_temperature    173.(2)
_cell_measurement_theta_max      28.7517
_cell_measurement_theta_min      2.1448
_cell_volume                     22375.125
_computing_cell_refinement       'SAINT V8.34A (Bruker AXS Inc., 2013)'
_computing_data_collection       'APEX2(Bruker AXS)'
_computing_data_reduction        'SAINT V8.34A (Bruker AXS Inc., 2013)'
_computing_molecular_graphics    'XSHELL V6.3.1(Bruker AXS)'
_computing_publication_material  'Generate Report (Bruker AXS)'
_computing_structure_refinement  'SHELXL-2017/1 (Sheldrick, 2017)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      173.(2)
_diffrn_detector_area_resol_mean 8.3333
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker D8 goniometer'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_monochromator  'multilayered conforcal mirror'
_diffrn_radiation_type           MoKa
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0210
_diffrn_reflns_av_unetI/netI     0.0126
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       62
_diffrn_reflns_limit_l_min       -91
_diffrn_reflns_number            40252
_diffrn_reflns_theta_full        27.30
_diffrn_reflns_theta_max         27.30
_diffrn_reflns_theta_min         1.68
_diffrn_source                   'rotating-anode X-ray tube'
_diffrn_source_type              'Bruker Turbo X-ray Source'
_exptl_absorpt_coefficient_mu    1.283
_exptl_absorpt_correction_T_max  0.75
_exptl_absorpt_correction_T_min  0.69
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS V2012/1 (Bruker AXS Inc.)'
_exptl_crystal_colour            'clear dark brown'
_exptl_crystal_density_diffrn    1.544
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             10452
_exptl_crystal_size_max          0.280
_exptl_crystal_size_mid          0.260
_exptl_crystal_size_min          0.170
_refine_diff_density_max         1.328
_refine_diff_density_min         -0.752
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.101
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     335
_refine_ls_number_reflns         5601
_refine_ls_number_restraints     38
_refine_ls_restrained_S_all      1.118
_refine_ls_R_factor_all          0.0552
_refine_ls_R_factor_gt           0.0451
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0490P)²+222.7870P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1097
_refine_ls_wR_factor_ref         0.1224
_reflns_number_gt                4845
_reflns_number_total             5601
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1dt00294e2.cif
_cod_data_source_block           20190208_359AgCu
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'Multi-Scan' was
changed to 'multi-scan' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 

 Adding full bibliography for 7706956--7706960.cif.
;
_cod_original_cell_volume        22375.1
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_database_code               7706958
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'
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
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'
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 ?
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 ?
