#------------------------------------------------------------------------------
#$Date: 2021-07-31 12:12:29 +0300 (Sat, 31 Jul 2021) $
#$Revision: 267866 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/43/1564300.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_1564300
loop_
_publ_author_name
'Kubasov, A.S.'
'Matveev, E. Yu.'
'Klyukin, I.N.'
'Nichugovskiy, A.I.'
'Zhizhin, K. Yu'
'Kuznetsov, N.T.'
_publ_section_title
;
 Silver(I) complexes with substituted derivatives of the boron cluster
 anions as ligands
;
_journal_name_full               'Inorganica Chimica Acta'
_journal_page_first              119749
_journal_paper_doi               10.1016/j.ica.2020.119749
_journal_volume                  510
_journal_year                    2020
_chemical_formula_moiety         'C72 H71 Ag2 B12 Cl P4'
_chemical_formula_sum            'C72 H71 Ag2 B12 Cl P4'
_chemical_formula_weight         1441.07
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_cell_angle_alpha                102.726(11)
_cell_angle_beta                 95.137(12)
_cell_angle_gamma                113.616(11)
_cell_formula_units_Z            1
_cell_length_a                   11.006(2)
_cell_length_b                   12.652(2)
_cell_length_c                   16.226(3)
_cell_measurement_reflns_used    30
_cell_measurement_temperature    296
_cell_measurement_theta_max      32.230
_cell_measurement_theta_min      27.954
_cell_volume                     1979.0(6)
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_diffrn_ambient_temperature      296.0
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0325
_diffrn_reflns_av_unetI/netI     0.0554
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.984
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -1
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            10872
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.984
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.999
_diffrn_reflns_theta_min         1.830
_exptl_absorpt_coefficient_mu    0.646
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.209
_exptl_crystal_description       block
_exptl_crystal_F_000             734
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.3
_refine_diff_density_max         1.824
_refine_diff_density_min         -0.554
_refine_diff_density_rms         0.079
_refine_ls_extinction_coef       0.0093(9)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2017/1 (Sheldrick 2017)'
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     416
_refine_ls_number_reflns         9409
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.035
_refine_ls_R_factor_all          0.0645
_refine_ls_R_factor_gt           0.0516
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0723P)²+0.0611P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1385
_refine_ls_wR_factor_ref         0.1477
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                7393
_reflns_number_total             9409
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            3.cif
_cod_data_source_block           b107
_cod_original_cell_volume        1978.9(7)
_cod_database_code               1564300
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_max   0.830
_shelx_estimated_absorpt_t_min   0.760
_olex2_refinement_description
;
1. Others
 Fixed Sof: H1(0.5) Cl1(0.5)
 Fixed Uiso: H2(0.071) H3(0.084) H4(0.083) H5(0.08) H6(0.069) H8(0.073)
 H9(0.089) H10(0.092) H11(0.09) H12(0.08) H14(0.077) H15(0.098) H16(0.107)
 H17(0.104) H18(0.086) H20(0.074) H21(0.088) H22(0.091) H23(0.092) H24(0.08)
 H26(0.082) H27(0.106) H28(0.12) H29(0.119) H30(0.089) H32(0.078) H33(0.098)
 H34(0.112) H35(0.128) H36(0.099) H1(0.062) H2A(0.063) H3A(0.063) H4A(0.061)
 H5A(0.064) H6A(0.061)
 Fixed X: H2(0.762628) H3(0.648026) H4(0.62317) H5(0.701316) H6(0.814966)
 H8(1.058535) H9(1.289242) H10(1.443375) H11(1.368701) H12(1.138123)
 H14(1.01974) H15(0.955043) H16(0.749275) H17(0.606465) H18(0.668925)
 H20(1.035097) H21(1.191686) H22(1.179135) H23(1.021545) H24(0.861978)
 H26(0.542112) H27(0.480843) H28(0.645559) H29(0.873798) H30(0.935014)
 H32(0.69011) H33(0.500491) H34(0.349502) H35(0.38421) H36(0.575671)
 H1(1.180779) H2A(0.888936) H3A(0.986296) H4A(1.214119) H5A(1.259992)
 H6A(1.056288)
 Fixed Y: H2(0.957642) H3(1.074157) H4(1.123182) H5(1.048403) H6(0.930417)
 H8(1.094881) H9(1.217758) H10(1.141325) H11(0.937838) H12(0.815099)
 H14(0.826245) H15(0.694704) H16(0.528912) H17(0.489086) H18(0.618566)
 H20(0.665997) H21(0.625509) H22(0.433388) H23(0.285351) H24(0.322604)
 H26(0.361092) H27(0.247699) H28(0.251831) H29(0.372224) H30(0.485843)
 H32(0.337179) H33(0.2594) H34(0.342844) H35(0.50431) H36(0.586544)
 H1(0.907974) H2A(0.75277) H3A(0.937231) H4A(1.149561) H5A(1.101683)
 H6A(0.855065)
 Fixed Z: H2(0.758051) H3(0.743268) H4(0.61498) H5(0.499471) H6(0.512804)
 H8(0.661196) H9(0.687358) H10(0.708872) H11(0.701134) H12(0.679987)
 H14(0.497735) H15(0.359767) H16(0.318373) H17(0.415073) H18(0.554002)
 H20(0.904732) H21(0.981926) H22(0.948859) H23(0.833624) H24(0.754729)
 H26(0.653502) H27(0.507806) H28(0.428451) H29(0.491302) H30(0.635426)
 H32(0.855188) H33(0.91491) H34(0.920127) H35(0.864337) H36(0.805812)
 H1(1.048591) H2A(0.988324) H3A(1.15658) H4A(1.138758) H5A(0.960091)
 H6A(0.867488)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.86160(3) 0.74232(2) 0.76932(2) 0.05316(11) Uani 1 1 d . . . . .
P1 P 0.89139(9) 0.83901(7) 0.65056(5) 0.04721(18) Uani 1 1 d . . . . .
P2 P 0.79894(9) 0.53318(7) 0.77156(5) 0.04719(18) Uani 1 1 d . . . . .
C1 C 0.8008(3) 0.9306(3) 0.6367(2) 0.0475(6) Uani 1 1 d . . . . .
C2 C 0.7506(4) 0.9753(3) 0.7061(2) 0.0595(8) Uani 1 1 d . . . . .
H2 H 0.762628 0.957642 0.758051 0.071 Uiso 1 1 calc R . . . .
C3 C 0.6825(4) 1.0460(4) 0.6975(3) 0.0701(10) Uani 1 1 d . . . . .
H3 H 0.648026 1.074157 0.743268 0.084 Uiso 1 1 calc R . . . .
C4 C 0.6664(4) 1.0744(4) 0.6201(3) 0.0694(10) Uani 1 1 d . . . . .
H4 H 0.623170 1.123182 0.614980 0.083 Uiso 1 1 calc R . . . .
C5 C 0.7141(4) 1.0306(3) 0.5513(3) 0.0667(9) Uani 1 1 d . . . . .
H5 H 0.701316 1.048403 0.499471 0.080 Uiso 1 1 calc R . . . .
C6 C 0.7821(4) 0.9591(3) 0.5593(2) 0.0572(8) Uani 1 1 d . . . . .
H6 H 0.814966 0.930417 0.512804 0.069 Uiso 1 1 calc R . . . .
C7 C 1.0718(3) 0.9410(3) 0.66592(19) 0.0502(7) Uani 1 1 d . . . . .
C8 C 1.1198(4) 1.0628(3) 0.6695(2) 0.0609(8) Uani 1 1 d . . . . .
H8 H 1.058535 1.094881 0.661196 0.073 Uiso 1 1 calc R . . . .
C9 C 1.2591(4) 1.1371(4) 0.6853(3) 0.0741(11) Uani 1 1 d . . . . .
H9 H 1.289242 1.217758 0.687358 0.089 Uiso 1 1 calc R . . . .
C10 C 1.3512(4) 1.0914(4) 0.6979(3) 0.0766(11) Uani 1 1 d . . . . .
H10 H 1.443375 1.141325 0.708872 0.092 Uiso 1 1 calc R . . . .
C11 C 1.3064(4) 0.9692(4) 0.6942(3) 0.0747(11) Uani 1 1 d . . . . .
H11 H 1.368701 0.937838 0.701134 0.090 Uiso 1 1 calc R . . . .
C12 C 1.1676(4) 0.8951(4) 0.6801(3) 0.0663(9) Uani 1 1 d . . . . .
H12 H 1.138123 0.815099 0.679987 0.080 Uiso 1 1 calc R . . . .
C13 C 0.8512(3) 0.7373(3) 0.5413(2) 0.0517(7) Uani 1 1 d . . . . .
C14 C 0.9366(4) 0.7590(3) 0.4819(2) 0.0645(9) Uani 1 1 d . . . . .
H14 H 1.019740 0.826245 0.497735 0.077 Uiso 1 1 calc R . . . .
C15 C 0.8974(5) 0.6797(5) 0.3986(3) 0.0820(13) Uani 1 1 d . . . . .
H15 H 0.955043 0.694704 0.359767 0.098 Uiso 1 1 calc R . . . .
C16 C 0.7747(6) 0.5803(4) 0.3739(3) 0.0892(15) Uani 1 1 d . . . . .
H16 H 0.749275 0.528912 0.318373 0.107 Uiso 1 1 calc R . . . .
C17 C 0.6892(5) 0.5568(4) 0.4317(3) 0.0863(14) Uani 1 1 d . . . . .
H17 H 0.606465 0.489086 0.415073 0.104 Uiso 1 1 calc R . . . .
C18 C 0.7269(4) 0.6349(3) 0.5154(3) 0.0721(10) Uani 1 1 d . . . . .
H18 H 0.668925 0.618566 0.554002 0.086 Uiso 1 1 calc R . . . .
C19 C 0.9303(3) 0.4996(3) 0.8223(2) 0.0505(7) Uani 1 1 d . . . . .
C20 C 1.0307(4) 0.5890(3) 0.8903(2) 0.0616(8) Uani 1 1 d . . . . .
H20 H 1.035097 0.665997 0.904732 0.074 Uiso 1 1 calc R . . . .
C21 C 1.1250(4) 0.5648(4) 0.9371(3) 0.0730(10) Uani 1 1 d . . . . .
H21 H 1.191686 0.625509 0.981926 0.088 Uiso 1 1 calc R . . . .
C22 C 1.1186(4) 0.4502(4) 0.9165(3) 0.0756(12) Uani 1 1 d . . . . .
H22 H 1.179135 0.433388 0.948859 0.091 Uiso 1 1 calc R . . . .
C23 C 1.0229(5) 0.3612(4) 0.8483(3) 0.0767(12) Uani 1 1 d . . . . .
H23 H 1.021545 0.285351 0.833624 0.092 Uiso 1 1 calc R . . . .
C24 C 0.9269(4) 0.3835(3) 0.8003(3) 0.0665(9) Uani 1 1 d . . . . .
H24 H 0.861978 0.322604 0.754729 0.080 Uiso 1 1 calc R . . . .
C25 C 0.7461(4) 0.4340(3) 0.6598(2) 0.0519(7) Uani 1 1 d . . . . .
C26 C 0.6086(4) 0.3632(3) 0.6214(2) 0.0682(10) Uani 1 1 d . . . . .
H26 H 0.542112 0.361092 0.653502 0.082 Uiso 1 1 calc R . . . .
C27 C 0.5716(6) 0.2946(4) 0.5333(3) 0.0887(15) Uani 1 1 d . . . . .
H27 H 0.480843 0.247699 0.507806 0.106 Uiso 1 1 calc R . . . .
C28 C 0.6701(7) 0.2976(5) 0.4857(3) 0.1000(18) Uani 1 1 d . . . . .
H28 H 0.645559 0.251831 0.428451 0.120 Uiso 1 1 calc R . . . .
C29 C 0.8075(7) 0.3696(5) 0.5236(3) 0.0993(17) Uani 1 1 d . . . . .
H29 H 0.873798 0.372224 0.491302 0.119 Uiso 1 1 calc R . . . .
C30 C 0.8442(5) 0.4378(4) 0.6106(2) 0.0744(11) Uani 1 1 d . . . . .
H30 H 0.935014 0.485843 0.635426 0.089 Uiso 1 1 calc R . . . .
C31 C 0.6537(3) 0.4689(3) 0.8227(2) 0.0549(7) Uani 1 1 d . . . . .
C32 C 0.6294(4) 0.3714(4) 0.8567(3) 0.0651(9) Uani 1 1 d . . . . .
H32 H 0.690110 0.337179 0.855188 0.078 Uiso 1 1 calc R . . . .
C33 C 0.5151(5) 0.3245(4) 0.8929(3) 0.0819(12) Uani 1 1 d . . . . .
H33 H 0.500491 0.259400 0.914910 0.098 Uiso 1 1 calc R . . . .
C34 C 0.4250(5) 0.3741(5) 0.8959(3) 0.0931(15) Uani 1 1 d . . . . .
H34 H 0.349502 0.342844 0.920127 0.112 Uiso 1 1 calc R . . . .
C35 C 0.4463(5) 0.4715(6) 0.8627(4) 0.1066(18) Uani 1 1 d . . . . .
H35 H 0.384210 0.504310 0.864337 0.128 Uiso 1 1 calc R . . . .
C36 C 0.5610(5) 0.5206(4) 0.8268(3) 0.0824(12) Uani 1 1 d . . . . .
H36 H 0.575671 0.586544 0.805812 0.099 Uiso 1 1 calc R . . . .
B1 B 1.1100(4) 0.9440(3) 1.0298(2) 0.0519(8) Uani 1 1 d . . . . .
H1 H 1.180779 0.907974 1.048591 0.062 Uiso 0.5 1 calc R . P A 1
Cl1 Cl 1.2333(2) 0.88467(17) 1.06350(12) 0.0658(4) Uani 0.5 1 d . . P B 2
B2 B 0.9322(4) 0.8493(3) 0.9932(2) 0.0529(8) Uani 1 1 d . . . . .
H2A H 0.888936 0.752770 0.988324 0.063 Uiso 1 1 calc R . . . .
B3 B 0.9914(4) 0.9612(3) 1.0954(2) 0.0525(8) Uani 1 1 d . . . . .
H3A H 0.986296 0.937231 1.156580 0.063 Uiso 1 1 calc R . . . .
B4 B 1.1299(4) 1.0907(3) 1.0840(2) 0.0509(8) Uani 1 1 d . . . . .
H4A H 1.214119 1.149561 1.138758 0.061 Uiso 1 1 calc R . . . .
B5 B 1.1588(4) 1.0621(3) 0.9754(2) 0.0531(8) Uani 1 1 d . . . . .
H5A H 1.259992 1.101683 0.960091 0.064 Uiso 1 1 calc R . . . .
B6 B 1.0344(4) 0.9125(3) 0.9198(2) 0.0506(8) Uani 1 1 d . . . . .
H6A H 1.056288 0.855065 0.867488 0.061 Uiso 1 1 calc R . . . .
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'
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
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
P2 Ag1 P1 132.19(3) . .
C1 P1 Ag1 119.51(10) . .
C1 P1 C13 102.59(14) . .
C7 P1 Ag1 108.15(10) . .
C7 P1 C1 105.15(15) . .
C7 P1 C13 104.14(15) . .
C13 P1 Ag1 115.82(10) . .
C19 P2 Ag1 117.64(11) . .
C19 P2 C25 104.27(15) . .
C19 P2 C31 104.46(15) . .
C25 P2 Ag1 109.66(10) . .
C31 P2 Ag1 114.92(11) . .
C31 P2 C25 104.62(16) . .
C2 C1 P1 119.3(2) . .
C6 C1 P1 122.0(2) . .
C6 C1 C2 118.7(3) . .
C3 C2 C1 120.4(3) . .
C4 C3 C2 119.9(4) . .
C5 C4 C3 120.4(3) . .
C4 C5 C6 120.0(3) . .
C1 C6 C5 120.5(3) . .
C8 C7 P1 123.7(3) . .
C8 C7 C12 118.3(3) . .
C12 C7 P1 117.9(3) . .
C7 C8 C9 120.9(4) . .
C10 C9 C8 120.4(4) . .
C9 C10 C11 120.2(4) . .
C12 C11 C10 119.8(4) . .
C11 C12 C7 120.5(4) . .
C14 C13 P1 123.3(3) . .
C14 C13 C18 118.3(3) . .
C18 C13 P1 118.3(3) . .
C13 C14 C15 120.3(4) . .
C16 C15 C14 120.7(4) . .
C15 C16 C17 119.9(4) . .
C16 C17 C18 120.1(4) . .
C13 C18 C17 120.5(4) . .
C20 C19 P2 118.7(3) . .
C20 C19 C24 118.5(3) . .
C24 C19 P2 122.5(3) . .
C19 C20 C21 121.1(4) . .
C22 C21 C20 119.9(4) . .
C23 C22 C21 120.2(4) . .
C22 C23 C24 120.9(4) . .
C23 C24 C19 119.4(4) . .
C26 C25 P2 121.3(3) . .
C30 C25 P2 119.0(3) . .
C30 C25 C26 119.5(3) . .
C25 C26 C27 119.7(4) . .
C28 C27 C26 120.2(5) . .
C27 C28 C29 120.2(4) . .
C28 C29 C30 119.7(5) . .
C25 C30 C29 120.8(5) . .
C32 C31 P2 123.8(3) . .
C32 C31 C36 118.4(3) . .
C36 C31 P2 117.8(3) . .
C31 C32 C33 121.2(4) . .
C34 C33 C32 120.2(4) . .
C33 C34 C35 120.1(4) . .
C34 C35 C36 120.5(5) . .
C35 C36 C31 119.6(4) . .
B2 B1 Cl1 122.2(2) . .
B2 B1 B3 59.7(2) . .
B2 B1 B5 108.8(3) . .
B3 B1 Cl1 121.4(2) . .
B3 B1 B5 108.5(3) . .
B4 B1 Cl1 121.3(3) . .
B4 B1 B2 107.7(3) . .
B4 B1 B3 60.0(2) . .
B4 B1 B5 59.9(2) . .
B4 B1 B6 107.0(2) . .
B5 B1 Cl1 121.0(3) . .
B6 B1 Cl1 122.8(2) . .
B6 B1 B2 60.6(2) . .
B6 B1 B3 107.8(3) . .
B6 B1 B5 59.6(2) . .
B1 B2 B4 107.0(3) . 2_777
B1 B2 B5 108.6(3) . 2_777
B1 B2 B6 59.5(2) . .
B3 B2 B1 60.5(2) . .
B3 B2 B4 107.4(2) . 2_777
B3 B2 B5 60.3(2) . 2_777
B3 B2 B6 107.6(3) . .
B5 B2 B4 59.7(2) 2_777 2_777
B5 B2 B6 107.4(3) 2_777 .
B6 B2 B4 59.2(2) . 2_777
B2 B3 B1 59.8(2) . .
B2 B3 B4 107.3(3) . .
B2 B3 B5 60.2(2) . 2_777
B2 B3 B6 107.4(2) . 2_777
B4 B3 B1 59.4(2) . .
B4 B3 B5 107.9(3) . 2_777
B5 B3 B1 108.0(2) 2_777 .
B6 B3 B1 107.1(3) 2_777 .
B6 B3 B4 59.8(2) 2_777 .
B6 B3 B5 59.8(2) 2_777 2_777
B1 B4 B2 108.7(2) . 2_777
B1 B4 B3 60.6(2) . .
B1 B4 B5 61.1(2) . .
B1 B4 B6 108.3(3) . 2_777
B3 B4 B2 109.0(3) . 2_777
B3 B4 B5 109.8(2) . .
B5 B4 B2 59.9(2) . 2_777
B6 B4 B2 60.1(2) 2_777 2_777
B6 B4 B3 60.1(2) 2_777 .
B6 B4 B5 108.3(3) 2_777 .
B2 B5 B1 107.6(3) 2_777 .
B2 B5 B3 59.5(2) 2_777 2_777
B3 B5 B1 107.4(3) 2_777 .
B4 B5 B1 59.0(2) . .
B4 B5 B2 60.4(2) . 2_777
B4 B5 B3 107.3(3) . 2_777
B6 B5 B1 59.2(2) . .
B6 B5 B2 106.8(3) . 2_777
B6 B5 B3 59.8(2) . 2_777
B6 B5 B4 105.9(3) . .
B1 B6 B2 59.9(2) . .
B1 B6 B3 109.5(2) . 2_777
B1 B6 B4 108.5(3) . 2_777
B1 B6 B5 61.2(2) . .
B3 B6 B2 109.4(3) 2_777 .
B3 B6 B5 60.4(2) 2_777 .
B4 B6 B2 60.7(2) 2_777 .
B4 B6 B3 60.1(2) 2_777 2_777
B4 B6 B5 108.6(3) 2_777 .
B5 B6 B2 109.4(2) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 P1 2.4796(9) .
Ag1 P2 2.4623(9) .
P1 C1 1.841(3) .
P1 C7 1.841(3) .
P1 C13 1.842(3) .
P2 C19 1.839(3) .
P2 C25 1.851(3) .
P2 C31 1.844(4) .
C1 C2 1.405(5) .
C1 C6 1.401(4) .
C2 C3 1.399(5) .
C3 C4 1.395(6) .
C4 C5 1.377(6) .
C5 C6 1.404(5) .
C7 C8 1.400(5) .
C7 C12 1.417(5) .
C8 C9 1.402(5) .
C9 C10 1.374(6) .
C10 C11 1.407(6) .
C11 C12 1.400(6) .
C13 C14 1.400(5) .
C13 C18 1.401(5) .
C14 C15 1.404(5) .
C15 C16 1.373(7) .
C16 C17 1.382(7) .
C17 C18 1.405(6) .
C19 C20 1.395(5) .
C19 C24 1.418(5) .
C20 C21 1.402(5) .
C21 C22 1.385(6) .
C22 C23 1.376(6) .
C23 C24 1.411(6) .
C25 C26 1.407(5) .
C25 C30 1.390(5) .
C26 C27 1.424(6) .
C27 C28 1.379(8) .
C28 C29 1.406(8) .
C29 C30 1.408(6) .
C31 C32 1.398(5) .
C31 C36 1.415(5) .
C32 C33 1.403(6) .
C33 C34 1.369(7) .
C34 C35 1.396(8) .
C35 C36 1.408(7) .
B1 Cl1 1.889(4) .
B1 B2 1.794(6) .
B1 B3 1.806(6) .
B1 B4 1.785(5) .
B1 B5 1.823(5) .
B1 B6 1.786(5) .
B2 B3 1.792(5) .
B2 B4 1.815(5) 2_777
B2 B5 1.805(5) 2_777
B2 B6 1.806(5) .
B3 B4 1.796(5) .
B3 B5 1.806(6) 2_777
B3 B6 1.795(5) 2_777
B4 B5 1.803(5) .
B4 B6 1.789(6) 2_777
B5 B6 1.795(5) .
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
1 -0.500 0.000 0.000 300.5 56.0
