#------------------------------------------------------------------------------
#$Date: 2021-05-05 11:37:37 +0300 (Wed, 05 May 2021) $
#$Revision: 264898 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/69/7706957.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_7706957
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            'C966 H768 Ag36 B12 Cl72 Cu12 F48 P36'
_chemical_formula_weight         21730.60
_chemical_name_common            20180728_mikami_R3c
_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            1
_cell_length_a                   19.005(8)
_cell_length_b                   19.005
_cell_length_c                   70.25(3)
_cell_measurement_reflns_used    618
_cell_measurement_temperature    173.0(2)
_cell_measurement_theta_max      27.2430
_cell_measurement_theta_min      2.7370
_cell_volume                     21974(13)
_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)'
_diffrn_ambient_temperature      173.0(2)
_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  0.0282
_diffrn_reflns_av_unetI/netI     0.0171
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       90
_diffrn_reflns_limit_l_min       -90
_diffrn_reflns_number            39718
_diffrn_reflns_theta_full        27.26
_diffrn_reflns_theta_max         27.26
_diffrn_reflns_theta_min         1.70
_diffrn_source                   'rotating-anode X-ray tube'
_diffrn_source_type              'Bruker Turbo X-ray Source'
_exptl_absorpt_coefficient_mu    1.416
_exptl_absorpt_correction_T_max  0.90
_exptl_absorpt_correction_T_min  0.79
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'SADABS V2012/1 (Bruker AXS Inc.)'
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_density_diffrn    1.642
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             10860
_exptl_crystal_size_max          0.180
_exptl_crystal_size_mid          0.140
_exptl_crystal_size_min          0.080
_refine_diff_density_max         0.979
_refine_diff_density_min         -1.473
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.060
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     297
_refine_ls_number_reflns         5491
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.060
_refine_ls_R_factor_all          0.0502
_refine_ls_R_factor_gt           0.0419
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0676P)²+141.3766P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1147
_refine_ls_wR_factor_ref         0.1237
_reflns_number_gt                4760
_reflns_number_total             5491
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1dt00294e2.cif
_cod_data_source_block           20180723_mikamiAgCu2
_cod_depositor_comments
'Adding full bibliography for 7706956--7706960.cif.'
_cod_original_cell_volume        21970.(20)
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_database_code               7706957
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 0.45252(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 . .
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
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 ?
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 ?
