#------------------------------------------------------------------------------
#$Date: 2017-06-29 04:45:22 +0300 (Thu, 29 Jun 2017) $
#$Revision: 198226 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/22/85/7228597.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_7228597
loop_
_publ_author_name
'Zhang, Fan'
'Baudron, Stéphane'
'Hosseini, Mir Wais'
_publ_section_title
;
 Solvent and anion effects on the organization of a luminescent [2+2]
 BODIPY/Ag(I) metallamacrocycle in the crystalline state
;
_journal_name_full               CrystEngComm
_journal_paper_doi               10.1039/C7CE00997F
_journal_year                    2017
_chemical_formula_sum            'C78 H64 Ag2 B2 Cl8 F4 N8 O8'
_chemical_formula_weight         1838.33
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2016/6
_audit_update_record
;
2017-04-12 deposited with the CCDC.
2017-06-28 downloaded from the CCDC.
;
_cell_angle_alpha                112.493(2)
_cell_angle_beta                 91.099(2)
_cell_angle_gamma                92.320(2)
_cell_formula_units_Z            2
_cell_length_a                   10.2626(5)
_cell_length_b                   19.2729(10)
_cell_length_c                   21.5355(11)
_cell_measurement_reflns_used    9968
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      22.19
_cell_measurement_theta_min      2.70
_cell_volume                     3929.5(3)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.966
_diffrn_measured_fraction_theta_max 0.915
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0774
_diffrn_reflns_av_unetI/netI     0.1155
_diffrn_reflns_Laue_measured_fraction_full 0.966
_diffrn_reflns_Laue_measured_fraction_max 0.915
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            116798
_diffrn_reflns_point_group_measured_fraction_full 0.966
_diffrn_reflns_point_group_measured_fraction_max 0.915
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.267
_diffrn_reflns_theta_min         1.806
_exptl_absorpt_coefficient_mu    0.841
_exptl_absorpt_correction_T_max  0.974
_exptl_absorpt_correction_T_min  0.935
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            dark-purple
_exptl_crystal_density_diffrn    1.554
_exptl_crystal_density_meas      ?
_exptl_crystal_description       rod
_exptl_crystal_F_000             1856
_exptl_crystal_size_max          0.080
_exptl_crystal_size_mid          0.040
_exptl_crystal_size_min          0.030
_refine_diff_density_max         2.151
_refine_diff_density_min         -1.012
_refine_diff_density_rms         0.098
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1036
_refine_ls_number_reflns         21506
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.055
_refine_ls_R_factor_all          0.1646
_refine_ls_R_factor_gt           0.0631
_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)+(0.0973P)²+1.0434P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1677
_refine_ls_wR_factor_ref         0.2037
_reflns_Friedel_coverage         0.000
_reflns_number_gt                10405
_reflns_number_total             21506
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c7ce00997f2.cif
_cod_data_source_block           compound4
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 4973 2017-02-22 13:04:09Z antanas 
;
_cod_database_code               7228597
_shelx_shelxl_version_number     2016/6
_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_min   0.936
_shelx_estimated_absorpt_t_max   0.975
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
C1 C 0.8933(4) 0.7841(2) 0.98752(18) 0.0282(9) Uani 1 1 d . . . . .
C2 C 0.8890(4) 0.8196(2) 1.05811(19) 0.0307(9) Uani 1 1 d . . . . .
H2 H 0.817698 0.816113 1.084408 0.037 Uiso 1 1 calc R U . . .
C3 C 1.0049(4) 0.8601(2) 1.08259(19) 0.0290(9) Uani 1 1 d . . . . .
C4 C 1.0830(4) 0.8487(2) 1.02600(18) 0.0273(9) Uani 1 1 d . . . . .
C5 C 1.2118(4) 0.8733(2) 1.02162(18) 0.0272(9) Uani 1 1 d . . . . .
C6 C 1.2731(4) 0.8484(2) 0.96116(18) 0.0261(9) Uani 1 1 d . . . . .
C7 C 1.4037(4) 0.8593(2) 0.94360(19) 0.0303(9) Uani 1 1 d . . . . .
C8 C 1.4108(4) 0.8206(2) 0.8763(2) 0.0329(10) Uani 1 1 d . . . . .
H8 H 1.486448 0.817628 0.850812 0.039 Uiso 1 1 calc R U . . .
C9 C 1.2875(4) 0.7856(2) 0.85042(18) 0.0268(9) Uani 1 1 d . . . . .
C10 C 1.0346(4) 0.9081(2) 1.15450(18) 0.0346(10) Uani 1 1 d . . . . .
H10A H 1.039850 0.961079 1.160182 0.052 Uiso 1 1 calc R U . . .
H10B H 1.118151 0.894925 1.168697 0.052 Uiso 1 1 calc R U . . .
H10C H 0.965291 0.899927 1.182033 0.052 Uiso 1 1 calc R U . . .
C11 C 1.5179(4) 0.9017(3) 0.9894(2) 0.0394(11) Uani 1 1 d . . . . .
H11A H 1.547981 0.872794 1.015337 0.059 Uiso 1 1 calc R U . . .
H11B H 1.490859 0.950720 1.020325 0.059 Uiso 1 1 calc R U . . .
H11C H 1.588987 0.908954 0.962464 0.059 Uiso 1 1 calc R U . . .
C12 C 1.2767(4) 0.9323(2) 1.08313(18) 0.0256(8) Uani 1 1 d . . . . .
C13 C 1.3575(4) 0.9125(2) 1.12552(19) 0.0305(9) Uani 1 1 d . . . . .
C14 C 1.4115(4) 0.9693(3) 1.1832(2) 0.0362(10) Uani 1 1 d . . . . .
H14 H 1.467023 0.956297 1.212434 0.043 Uiso 1 1 calc R U . . .
C15 C 1.3872(4) 1.0437(3) 1.1995(2) 0.0387(11) Uani 1 1 d . . . . .
C16 C 1.3038(4) 1.0620(2) 1.15680(19) 0.0333(10) Uani 1 1 d . . . . .
H16 H 1.285121 1.113160 1.167690 0.040 Uiso 1 1 calc R U . . .
C17 C 1.2478(4) 1.0074(2) 1.09904(19) 0.0297(9) Uani 1 1 d . . . . .
C18 C 1.3847(5) 0.8324(3) 1.1114(2) 0.0446(11) Uani 1 1 d . . . . .
H18A H 1.311463 0.808480 1.125674 0.067 Uiso 1 1 calc R U . . .
H18B H 1.464621 0.830521 1.136275 0.067 Uiso 1 1 calc R U . . .
H18C H 1.395907 0.805659 1.063124 0.067 Uiso 1 1 calc R U . . .
C19 C 1.4472(5) 1.1045(3) 1.2625(2) 0.0538(14) Uani 1 1 d . . . . .
H19A H 1.426249 1.092540 1.301629 0.081 Uiso 1 1 calc R U . . .
H19B H 1.412049 1.152954 1.267907 0.081 Uiso 1 1 calc R U . . .
H19C H 1.542119 1.107515 1.258909 0.081 Uiso 1 1 calc R U . . .
C20 C 1.1559(4) 1.0296(2) 1.0556(2) 0.0403(11) Uani 1 1 d . . . . .
H20A H 1.066369 1.013453 1.060819 0.060 Uiso 1 1 calc R U . . .
H20B H 1.179005 1.005425 1.008492 0.060 Uiso 1 1 calc R U . . .
H20C H 1.162242 1.084319 1.069247 0.060 Uiso 1 1 calc R U . . .
C21 C 0.7927(4) 0.7395(2) 0.94010(19) 0.0293(9) Uani 1 1 d . . . . .
H21 H 0.806029 0.725189 0.893394 0.035 Uiso 1 1 calc R U . . .
C22 C 0.6806(4) 0.7175(2) 0.95962(19) 0.0314(10) Uani 1 1 d . . . . .
H22 H 0.672122 0.729628 1.006405 0.038 Uiso 1 1 calc R U . . .
C23 C 0.5696(4) 0.6762(2) 0.9146(2) 0.0297(9) Uani 1 1 d . . . . .
C24 C 0.4535(4) 0.6662(2) 0.9433(2) 0.0337(10) Uani 1 1 d . . . . .
H24 H 0.450123 0.683177 0.990809 0.040 Uiso 1 1 calc R U . . .
C25 C 0.3436(4) 0.6323(2) 0.9041(2) 0.0348(10) Uani 1 1 d . . . . .
H25 H 0.264102 0.626796 0.924012 0.042 Uiso 1 1 calc R U . . .
C26 C 0.3519(4) 0.6061(2) 0.8340(2) 0.0325(9) Uani 1 1 d . . . . .
C27 C 0.4682(4) 0.6130(2) 0.8050(2) 0.0347(10) Uani 1 1 d . . . . .
H27 H 0.473444 0.593414 0.757463 0.042 Uiso 1 1 calc R U . . .
C28 C 0.5768(4) 0.6485(2) 0.84543(19) 0.0325(9) Uani 1 1 d . . . . .
H28 H 0.656424 0.653931 0.825575 0.039 Uiso 1 1 calc R U . . .
C29 C 0.2386(4) 0.5755(2) 0.7911(2) 0.0347(10) Uani 1 1 d . . . . .
C30 C 1.2430(4) 0.7414(2) 0.78273(18) 0.0303(9) Uani 1 1 d . . . . .
H30 H 1.152137 0.728725 0.774500 0.036 Uiso 1 1 calc R U . . .
C31 C 1.3200(4) 0.7169(2) 0.73077(19) 0.0340(10) Uani 1 1 d . . . . .
H31 H 1.410970 0.729201 0.739026 0.041 Uiso 1 1 calc R U . . .
C32 C 1.2743(4) 0.6725(2) 0.66181(19) 0.0322(9) Uani 1 1 d . . . . .
C33 C 1.1433(4) 0.6588(3) 0.6434(2) 0.0402(11) Uani 1 1 d . . . . .
H33 H 1.080363 0.676845 0.676832 0.048 Uiso 1 1 calc R U . . .
C34 C 1.1019(5) 0.6195(3) 0.5775(2) 0.0416(11) Uani 1 1 d . . . . .
H34 H 1.011408 0.610071 0.565589 0.050 Uiso 1 1 calc R U . . .
C35 C 1.1936(5) 0.5940(3) 0.5290(2) 0.0430(12) Uani 1 1 d . . . . .
C36 C 1.3240(5) 0.6062(3) 0.5459(2) 0.0544(14) Uani 1 1 d . . . . .
H36 H 1.386361 0.588047 0.512118 0.065 Uiso 1 1 calc R U . . .
C37 C 1.3646(5) 0.6448(3) 0.6118(2) 0.0494(13) Uani 1 1 d . . . . .
H37 H 1.455255 0.652746 0.623381 0.059 Uiso 1 1 calc R U . . .
C38 C 1.1485(5) 0.5551(3) 0.4602(2) 0.0467(12) Uani 1 1 d . . . . .
C39 C 0.8961(5) 0.2601(2) 0.5686(2) 0.0401(11) Uani 1 1 d . . . . .
C40 C 0.7814(5) 0.2581(3) 0.5316(2) 0.0424(11) Uani 1 1 d . . . . .
H40 H 0.709520 0.288791 0.547636 0.051 Uiso 1 1 calc R U . . .
C41 C 0.7908(5) 0.2039(3) 0.4681(2) 0.0406(11) Uani 1 1 d . . . . .
C42 C 0.9152(4) 0.1735(2) 0.4663(2) 0.0375(10) Uani 1 1 d . . . . .
C43 C 0.9799(4) 0.1200(2) 0.4140(2) 0.0337(10) Uani 1 1 d . . . . .
C44 C 1.1046(4) 0.1003(2) 0.42564(19) 0.0345(10) Uani 1 1 d . . . . .
C45 C 1.1907(4) 0.0501(2) 0.3808(2) 0.0370(10) Uani 1 1 d . . . . .
C46 C 1.3034(5) 0.0558(3) 0.4179(2) 0.0404(11) Uani 1 1 d . . . . .
H46 H 1.379797 0.029649 0.401295 0.048 Uiso 1 1 calc R U . . .
C47 C 1.7111(5) 0.8945(3) 1.5165(2) 0.0395(11) Uani 1 1 d . . . . .
C48 C 0.6858(5) 0.1835(3) 0.4129(2) 0.0515(13) Uani 1 1 d . . . . .
H48A H 0.650335 0.132221 0.402867 0.077 Uiso 1 1 calc R U . . .
H48B H 0.723296 0.186397 0.372401 0.077 Uiso 1 1 calc R U . . .
H48C H 0.615763 0.218665 0.427674 0.077 Uiso 1 1 calc R U . . .
C49 C 1.1673(5) 0.0017(3) 0.3091(2) 0.0419(11) Uani 1 1 d . . . . .
H49A H 1.242380 -0.029244 0.292699 0.063 Uiso 1 1 calc R U . . .
H49B H 1.155117 0.033114 0.283035 0.063 Uiso 1 1 calc R U . . .
H49C H 1.088756 -0.031030 0.303862 0.063 Uiso 1 1 calc R U . . .
C50 C 0.9186(4) 0.0885(2) 0.34479(19) 0.0332(10) Uani 1 1 d . . . . .
C51 C 0.8295(4) 0.0269(2) 0.3249(2) 0.0363(10) Uani 1 1 d . . . . .
C52 C 0.7738(4) 0.0015(3) 0.2603(2) 0.0396(11) Uani 1 1 d . . . . .
H52 H 0.714187 -0.041104 0.245999 0.047 Uiso 1 1 calc R U . . .
C53 C 0.8018(4) 0.0358(3) 0.2160(2) 0.0399(11) Uani 1 1 d . . . . .
C54 C 0.8929(4) 0.0961(3) 0.2370(2) 0.0398(11) Uani 1 1 d . . . . .
H54 H 0.914591 0.119493 0.206665 0.048 Uiso 1 1 calc R U . . .
C55 C 0.9537(4) 0.1237(2) 0.3008(2) 0.0370(10) Uani 1 1 d . . . . .
C56 C 0.7931(6) -0.0129(3) 0.3703(2) 0.0544(14) Uani 1 1 d . . . . .
H56A H 0.749873 -0.061874 0.343638 0.082 Uiso 1 1 calc R U . . .
H56B H 0.733734 0.017445 0.403954 0.082 Uiso 1 1 calc R U . . .
H56C H 0.872060 -0.020145 0.392960 0.082 Uiso 1 1 calc R U . . .
C57 C 0.7421(5) 0.0077(3) 0.1462(2) 0.0556(14) Uani 1 1 d . . . . .
H57A H 0.714348 0.050434 0.136035 0.083 Uiso 1 1 calc R U . . .
H57B H 0.666252 -0.026254 0.142906 0.083 Uiso 1 1 calc R U . . .
H57C H 0.806512 -0.019363 0.113941 0.083 Uiso 1 1 calc R U . . .
C58 C 1.0547(5) 0.1859(3) 0.3199(3) 0.0530(13) Uani 1 1 d . . . . .
H58A H 1.031183 0.226284 0.361671 0.079 Uiso 1 1 calc R U . . .
H58B H 1.060711 0.205200 0.284048 0.079 Uiso 1 1 calc R U . . .
H58C H 1.139103 0.167360 0.326829 0.079 Uiso 1 1 calc R U . . .
C59 C 0.9344(5) 0.3076(2) 0.6371(2) 0.0422(11) Uani 1 1 d . . . . .
H59 H 1.015141 0.299897 0.655223 0.051 Uiso 1 1 calc R U . . .
C60 C 0.8604(5) 0.3622(2) 0.6764(2) 0.0423(11) Uani 1 1 d . . . . .
H60 H 0.778031 0.367290 0.658147 0.051 Uiso 1 1 calc R U . . .
C61 C 0.8960(4) 0.4139(2) 0.7444(2) 0.0360(10) Uani 1 1 d . . . . .
C62 C 0.8254(4) 0.4779(2) 0.7720(2) 0.0398(11) Uani 1 1 d . . . . .
H62 H 0.754522 0.485637 0.746809 0.048 Uiso 1 1 calc R U . . .
C63 C 0.8570(4) 0.5302(2) 0.8356(2) 0.0415(11) Uani 1 1 d . . . . .
H63 H 0.808649 0.574113 0.853785 0.050 Uiso 1 1 calc R U . . .
C64 C 0.9582(4) 0.5190(2) 0.8727(2) 0.0366(10) Uani 1 1 d . . . . .
C65 C 1.0312(5) 0.4552(2) 0.8465(2) 0.0384(10) Uani 1 1 d . . . . .
H65 H 1.101092 0.447476 0.872386 0.046 Uiso 1 1 calc R U . . .
C66 C 1.0005(5) 0.4039(2) 0.7830(2) 0.0409(11) Uani 1 1 d . . . . .
H66 H 1.050550 0.360802 0.764560 0.049 Uiso 1 1 calc R U . . .
C67 C 0.9848(4) 0.5744(3) 0.9394(2) 0.0406(11) Uani 1 1 d . . . . .
C68 C 1.6243(5) 0.8702(3) 1.4585(2) 0.0429(11) Uani 1 1 d . . . . .
H68 H 1.656977 0.838022 1.416947 0.052 Uiso 1 1 calc R U . . .
C69 C 1.5008(5) 0.8894(3) 1.4586(2) 0.0452(12) Uani 1 1 d . . . . .
H69 H 1.468493 0.922655 1.499807 0.054 Uiso 1 1 calc R U . . .
C70 C 1.4114(4) 0.8625(3) 1.3992(2) 0.0422(11) Uani 1 1 d . . . . .
C71 C 1.2823(4) 0.8775(3) 1.4063(2) 0.0416(11) Uani 1 1 d . . . . .
H71 H 1.252562 0.906602 1.449599 0.050 Uiso 1 1 calc R U . . .
C72 C 1.1942(5) 0.8517(3) 1.3523(2) 0.0435(11) Uani 1 1 d . . . . .
H72 H 1.104838 0.862952 1.357965 0.052 Uiso 1 1 calc R U . . .
C73 C 1.2386(5) 0.8091(3) 1.2898(2) 0.0421(11) Uani 1 1 d . . . . .
C74 C 1.3689(5) 0.7931(3) 1.2810(2) 0.0550(14) Uani 1 1 d . . . . .
H74 H 1.397846 0.763196 1.237759 0.066 Uiso 1 1 calc R U . . .
C75 C 1.4558(5) 0.8203(3) 1.3346(2) 0.0542(14) Uani 1 1 d . . . . .
H75 H 1.545711 0.810830 1.328509 0.065 Uiso 1 1 calc R U . . .
C76 C 1.1494(5) 0.7798(3) 1.2322(2) 0.0413(11) Uani 1 1 d . . . . .
N1 N 1.0115(3) 0.80129(17) 0.96909(15) 0.0265(7) Uani 1 1 d . . . . .
N2 N 1.2049(3) 0.80156(18) 0.90198(14) 0.0275(7) Uani 1 1 d . . . . .
N3 N 0.1505(4) 0.5531(2) 0.75564(19) 0.0429(9) Uani 1 1 d . . . . .
N4 N 1.1085(4) 0.5256(2) 0.40687(19) 0.0545(11) Uani 1 1 d . . . . .
N5 N 0.9761(4) 0.20814(19) 0.52925(16) 0.0366(8) Uani 1 1 d . . . . .
N6 N 1.1666(4) 0.1325(2) 0.48776(16) 0.0372(9) Uani 1 1 d . . . . .
N7 N 1.0024(4) 0.6196(2) 0.99173(19) 0.0495(10) Uani 1 1 d . . . . .
N8 N 1.0837(4) 0.7573(2) 1.1855(2) 0.0493(10) Uani 1 1 d . . . . .
O1 O -0.1529(4) 0.6443(3) 0.7306(2) 0.0895(15) Uani 1 1 d . . . . .
O2 O -0.2124(5) 0.6463(3) 0.6294(2) 0.1007(17) Uani 1 1 d . . . . .
O3 O -0.3305(4) 0.7115(3) 0.7234(2) 0.0803(13) Uani 1 1 d . . . . .
O4 O -0.3451(4) 0.5820(3) 0.6767(2) 0.0924(15) Uani 1 1 d . . . . .
O5 O 0.7248(5) 0.7959(2) 1.1784(2) 0.1001(18) Uani 1 1 d . . . . .
O6 O 0.768(2) 0.6749(9) 1.1128(11) 0.090(7) Uani 0.59(3) 1 d . . P A 1
O7 O 0.715(3) 0.7056(11) 1.2216(8) 0.143(7) Uani 0.59(3) 1 d . . P A 1
O8 O 0.5567(10) 0.7038(7) 1.1422(15) 0.111(7) Uani 0.59(3) 1 d . . P A 1
O6B O 0.783(3) 0.6710(17) 1.1340(19) 0.100(10) Uani 0.41(3) 1 d . . P A 2
O7B O 0.637(2) 0.7087(9) 1.2154(9) 0.073(7) Uani 0.41(3) 1 d . . P A 2
O8B O 0.592(3) 0.7028(12) 1.1086(12) 0.087(7) Uani 0.41(3) 1 d . . P A 2
F1 F 1.0522(2) 0.69569(12) 0.86936(11) 0.0368(6) Uani 1 1 d . . . . .
F2 F 0.9878(2) 0.80071(14) 0.85787(11) 0.0389(6) Uani 1 1 d . . . . .
F3 F 1.1923(3) 0.25518(16) 0.57530(15) 0.0680(9) Uani 1 1 d . . . . .
F4 F 1.0988(3) 0.16268(19) 0.59999(13) 0.0625(8) Uani 1 1 d . . . . .
Cl1 Cl -0.26303(12) 0.64575(9) 0.68898(7) 0.0559(4) Uani 1 1 d . . . . .
Cl2 Cl 0.68697(13) 0.72106(8) 1.16297(7) 0.0529(3) Uani 1 1 d . . . . .
Ag1 Ag -0.02085(4) 0.53483(2) 0.69225(2) 0.05425(14) Uani 1 1 d . . . . .
Ag2 Ag 0.97872(3) 0.71143(2) 1.08826(2) 0.04557(13) Uani 1 1 d . . . . .
B1 B 1.0612(5) 0.7732(3) 0.8966(2) 0.0302(11) Uani 1 1 d . . . . .
B2 B 1.1108(5) 0.1914(3) 0.5505(2) 0.0412(13) Uani 1 1 d . . . . .
C77 C 0.3873(5) 0.5602(3) 0.0723(3) 0.0587(14) Uani 1 1 d . . . . .
H77 H 0.456434 0.584262 0.053888 0.070 Uiso 1 1 calc R U . . .
Cl3 Cl 0.26948(15) 0.62534(9) 0.10855(9) 0.0772(5) Uani 1 1 d . . . . .
Cl4 Cl 0.45830(16) 0.53263(10) 0.13239(10) 0.0810(5) Uani 1 1 d . . . . .
Cl5 Cl 0.31569(17) 0.48143(11) 0.00650(9) 0.0951(6) Uani 1 1 d . . . . .
C78 C 0.3559(7) 0.4160(7) 0.6284(5) 0.072(3) Uani 0.733(6) 1 d . . P B 3
H78 H 0.337807 0.469212 0.656752 0.087 Uiso 0.733(6) 1 calc R U P B 3
Cl6 Cl 0.5006(17) 0.4241(9) 0.6129(6) 0.521(7) Uani 0.733(6) 1 d . . P B 3
Cl7 Cl 0.2886(18) 0.4077(9) 0.5409(6) 0.521(7) Uani 0.733(6) 1 d . . P B 3
Cl8 Cl 0.4046(17) 0.3782(9) 0.6959(6) 0.521(7) Uani 0.733(6) 1 d . . P B 3
C78B C 0.357(2) 0.3732(14) 0.5807(8) 0.072(3) Uani 0.267(6) 1 d D . P B 4
H78B H 0.308064 0.333079 0.590759 0.087 Uiso 0.267(6) 1 calc R U P B 4
Cl6B Cl 0.3864(12) 0.3109(7) 0.4971(8) 0.187(5) Uani 0.267(6) 1 d D . P B 4
Cl7B Cl 0.4627(14) 0.3895(7) 0.6438(9) 0.187(5) Uani 0.267(6) 1 d . . P B 4
Cl8B Cl 0.2186(13) 0.4299(7) 0.5940(9) 0.187(5) Uani 0.267(6) 1 d . . P B 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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 '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'
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'
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
N1 C1 C2 108.0(3) . .
N1 C1 C21 123.1(3) . .
C2 C1 C21 128.9(4) . .
C3 C2 C1 108.8(3) . .
C3 C2 Ag2 88.6(3) . .
C1 C2 Ag2 98.0(3) . .
C3 C2 H2 125.6 . .
C1 C2 H2 125.6 . .
Ag2 C2 H2 84.4 . .
C2 C3 C4 106.4(3) . .
C2 C3 C10 124.6(4) . .
C4 C3 C10 128.9(4) . .
N1 C4 C5 121.1(3) . .
N1 C4 C3 107.7(3) . .
C5 C4 C3 131.1(3) . .
C6 C5 C4 120.8(3) . .
C6 C5 C12 120.9(3) . .
C4 C5 C12 118.1(3) . .
C5 C6 N2 120.4(3) . .
C5 C6 C7 132.4(3) . .
N2 C6 C7 107.2(3) . .
C8 C7 C6 107.2(3) . .
C8 C7 C11 124.4(4) . .
C6 C7 C11 128.3(3) . .
C7 C8 C9 108.8(4) . .
C7 C8 H8 125.6 . .
C9 C8 H8 125.6 . .
N2 C9 C8 108.6(3) . .
N2 C9 C30 120.9(4) . .
C8 C9 C30 130.5(3) . .
C3 C10 H10A 109.5 . .
C3 C10 H10B 109.5 . .
H10A C10 H10B 109.5 . .
C3 C10 H10C 109.5 . .
H10A C10 H10C 109.5 . .
H10B C10 H10C 109.5 . .
C7 C11 H11A 109.5 . .
C7 C11 H11B 109.5 . .
H11A C11 H11B 109.5 . .
C7 C11 H11C 109.5 . .
H11A C11 H11C 109.5 . .
H11B C11 H11C 109.5 . .
C13 C12 C17 120.8(3) . .
C13 C12 C5 120.7(4) . .
C17 C12 C5 118.4(4) . .
C12 C13 C14 118.4(4) . .
C12 C13 C18 121.8(4) . .
C14 C13 C18 119.8(4) . .
C15 C14 C13 122.2(4) . .
C15 C14 H14 118.9 . .
C13 C14 H14 118.9 . .
C14 C15 C16 118.3(4) . .
C14 C15 C19 121.3(4) . .
C16 C15 C19 120.4(4) . .
C17 C16 C15 121.4(4) . .
C17 C16 H16 119.3 . .
C15 C16 H16 119.3 . .
C16 C17 C12 118.9(4) . .
C16 C17 C20 119.5(4) . .
C12 C17 C20 121.6(3) . .
C13 C18 H18A 109.5 . .
C13 C18 H18B 109.5 . .
H18A C18 H18B 109.5 . .
C13 C18 H18C 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
C15 C19 H19A 109.5 . .
C15 C19 H19B 109.5 . .
H19A C19 H19B 109.5 . .
C15 C19 H19C 109.5 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
C17 C20 H20A 109.5 . .
C17 C20 H20B 109.5 . .
H20A C20 H20B 109.5 . .
C17 C20 H20C 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
C22 C21 C1 122.1(4) . .
C22 C21 H21 118.9 . .
C1 C21 H21 118.9 . .
C21 C22 C23 125.4(4) . .
C21 C22 H22 117.3 . .
C23 C22 H22 117.3 . .
C28 C23 C24 119.5(4) . .
C28 C23 C22 122.1(4) . .
C24 C23 C22 118.4(4) . .
C25 C24 C23 121.3(4) . .
C25 C24 H24 119.3 . .
C23 C24 H24 119.3 . .
C24 C25 C26 118.3(4) . .
C24 C25 H25 120.8 . .
C26 C25 H25 120.8 . .
C27 C26 C25 120.8(4) . .
C27 C26 C29 118.4(4) . .
C25 C26 C29 120.7(4) . .
C26 C27 C28 119.8(4) . .
C26 C27 H27 120.1 . .
C28 C27 H27 120.1 . .
C23 C28 C27 120.1(4) . .
C23 C28 H28 119.9 . .
C27 C28 H28 119.9 . .
N3 C29 C26 177.1(5) . .
C31 C30 C9 124.4(4) . .
C31 C30 H30 117.8 . .
C9 C30 H30 117.8 . .
C30 C31 C32 124.3(4) . .
C30 C31 H31 117.8 . .
C32 C31 H31 117.8 . .
C33 C32 C37 118.1(4) . .
C33 C32 C31 122.2(4) . .
C37 C32 C31 119.6(4) . .
C34 C33 C32 121.4(4) . .
C34 C33 H33 119.3 . .
C32 C33 H33 119.3 . .
C33 C34 C35 119.0(4) . .
C33 C34 H34 120.5 . .
C35 C34 H34 120.5 . .
C36 C35 C34 120.8(4) . .
C36 C35 C38 121.0(4) . .
C34 C35 C38 118.3(4) . .
C35 C36 C37 119.8(4) . .
C35 C36 H36 120.1 . .
C37 C36 H36 120.1 . .
C36 C37 C32 120.8(4) . .
C36 C37 H37 119.6 . .
C32 C37 H37 119.6 . .
N4 C38 C35 177.3(6) . .
N5 C39 C40 109.2(4) . .
N5 C39 C59 121.2(4) . .
C40 C39 C59 129.6(4) . .
C41 C40 C39 108.1(4) . .
C41 C40 H40 126.0 . .
C39 C40 H40 126.0 . .
C40 C41 C42 106.6(4) . .
C40 C41 C48 124.6(4) . .
C42 C41 C48 128.8(4) . .
N5 C42 C43 120.1(4) . .
N5 C42 C41 108.2(4) . .
C43 C42 C41 131.7(4) . .
C44 C43 C42 120.2(4) . .
C44 C43 C50 120.1(4) . .
C42 C43 C50 119.6(4) . .
N6 C44 C43 121.1(4) . .
N6 C44 C45 108.3(4) . .
C43 C44 C45 130.5(4) . .
C46 C45 C44 105.7(4) . .
C46 C45 C49 125.8(4) . .
C44 C45 C49 128.5(4) . .
C45 C46 C47 109.6(4) . 2_867
C45 C46 H46 125.2 . .
C47 C46 H46 125.2 2_867 .
N6 C47 C46 108.1(4) 2_867 2_867
N6 C47 C68 120.4(4) 2_867 .
C46 C47 C68 131.6(4) 2_867 .
C41 C48 H48A 109.5 . .
C41 C48 H48B 109.5 . .
H48A C48 H48B 109.5 . .
C41 C48 H48C 109.5 . .
H48A C48 H48C 109.5 . .
H48B C48 H48C 109.5 . .
C45 C49 H49A 109.5 . .
C45 C49 H49B 109.5 . .
H49A C49 H49B 109.5 . .
C45 C49 H49C 109.5 . .
H49A C49 H49C 109.5 . .
H49B C49 H49C 109.5 . .
C51 C50 C55 121.4(4) . .
C51 C50 C43 121.1(4) . .
C55 C50 C43 117.5(4) . .
C52 C51 C50 118.2(4) . .
C52 C51 C56 119.4(4) . .
C50 C51 C56 122.4(4) . .
C53 C52 C51 122.5(4) . .
C53 C52 H52 118.7 . .
C51 C52 H52 118.7 . .
C52 C53 C54 117.8(4) . .
C52 C53 C57 122.2(4) . .
C54 C53 C57 119.9(4) . .
C53 C54 C55 122.6(4) . .
C53 C54 H54 118.7 . .
C55 C54 H54 118.7 . .
C54 C55 C50 117.5(4) . .
C54 C55 C58 120.8(4) . .
C50 C55 C58 121.7(4) . .
C51 C56 H56A 109.5 . .
C51 C56 H56B 109.5 . .
H56A C56 H56B 109.5 . .
C51 C56 H56C 109.5 . .
H56A C56 H56C 109.5 . .
H56B C56 H56C 109.5 . .
C53 C57 H57A 109.5 . .
C53 C57 H57B 109.5 . .
H57A C57 H57B 109.5 . .
C53 C57 H57C 109.5 . .
H57A C57 H57C 109.5 . .
H57B C57 H57C 109.5 . .
C55 C58 H58A 109.5 . .
C55 C58 H58B 109.5 . .
H58A C58 H58B 109.5 . .
C55 C58 H58C 109.5 . .
H58A C58 H58C 109.5 . .
H58B C58 H58C 109.5 . .
C60 C59 C39 122.7(5) . .
C60 C59 H59 118.6 . .
C39 C59 H59 118.6 . .
C59 C60 C61 125.4(5) . .
C59 C60 H60 117.3 . .
C61 C60 H60 117.3 . .
C62 C61 C66 118.4(4) . .
C62 C61 C60 118.0(4) . .
C66 C61 C60 123.6(4) . .
C63 C62 C61 120.7(4) . .
C63 C62 H62 119.6 . .
C61 C62 H62 119.6 . .
C64 C63 C62 120.0(4) . .
C64 C63 H63 120.0 . .
C62 C63 H63 120.0 . .
C63 C64 C65 120.7(4) . .
C63 C64 C67 117.8(4) . .
C65 C64 C67 121.5(4) . .
C66 C65 C64 118.9(4) . .
C66 C65 H65 120.5 . .
C64 C65 H65 120.5 . .
C65 C66 C61 121.2(4) . .
C65 C66 H66 119.4 . .
C61 C66 H66 119.4 . .
N7 C67 C64 177.6(5) . .
C69 C68 C47 124.8(4) . .
C69 C68 H68 117.6 . .
C47 C68 H68 117.6 . .
C68 C69 C70 124.4(4) . .
C68 C69 H69 117.8 . .
C70 C69 H69 117.8 . .
C71 C70 C75 119.0(4) . .
C71 C70 C69 119.7(4) . .
C75 C70 C69 121.3(4) . .
C70 C71 C72 121.8(4) . .
C70 C71 H71 119.1 . .
C72 C71 H71 119.1 . .
C71 C72 C73 118.5(4) . .
C71 C72 H72 120.8 . .
C73 C72 H72 120.8 . .
C72 C73 C74 121.0(4) . .
C72 C73 C76 120.3(4) . .
C74 C73 C76 118.7(4) . .
C75 C74 C73 120.0(5) . .
C75 C74 H74 120.0 . .
C73 C74 H74 120.0 . .
C74 C75 C70 119.7(5) . .
C74 C75 H75 120.1 . .
C70 C75 H75 120.1 . .
N8 C76 C73 177.0(5) . .
C1 N1 C4 109.0(3) . .
C1 N1 B1 126.2(3) . .
C4 N1 B1 124.8(3) . .
C9 N2 C6 108.2(3) . .
C9 N2 B1 126.1(3) . .
C6 N2 B1 125.7(3) . .
C29 N3 Ag1 168.0(4) . .
C38 N4 Ag1 175.7(4) . 2_666
C39 N5 C42 107.9(4) . .
C39 N5 B2 126.0(4) . .
C42 N5 B2 126.1(3) . .
C47 N6 C44 108.3(3) 2_867 .
C47 N6 B2 125.8(4) 2_867 .
C44 N6 B2 125.8(4) . .
C67 N7 Ag2 163.9(4) . .
C76 N8 Ag2 172.9(4) . .
Cl1 O1 Ag1 118.3(2) . .
Cl2 O6 Ag2 125.6(9) . .
Cl2 O6B Ag2 120.6(19) . .
O4 Cl1 O2 111.2(3) . .
O4 Cl1 O3 109.9(3) . .
O2 Cl1 O3 111.7(3) . .
O4 Cl1 O1 109.2(3) . .
O2 Cl1 O1 106.2(3) . .
O3 Cl1 O1 108.4(3) . .
O7B Cl2 O5 113.0(7) . .
O8 Cl2 O5 113.4(7) . .
O7B Cl2 O6B 110.6(16) . .
O5 Cl2 O6B 114.3(14) . .
O8 Cl2 O6 110.2(10) . .
O5 Cl2 O6 109.1(9) . .
O8 Cl2 O7 111.2(9) . .
O5 Cl2 O7 107.0(10) . .
O6 Cl2 O7 105.6(12) . .
O7B Cl2 O8B 111.4(9) . .
O5 Cl2 O8B 104.7(9) . .
O6B Cl2 O8B 102.0(16) . .
N3 Ag1 N4 145.82(16) . 2_666
N3 Ag1 O1 110.84(14) . .
N4 Ag1 O1 100.31(16) 2_666 .
N8 Ag2 N7 136.29(16) . .
N8 Ag2 O6 104.2(6) . .
N7 Ag2 O6 99.0(4) . .
N8 Ag2 O6B 93.5(9) . .
N7 Ag2 O6B 104.2(8) . .
N8 Ag2 C2 110.28(14) . .
N7 Ag2 C2 104.97(14) . .
O6 Ag2 C2 92.6(6) . .
O6B Ag2 C2 101.2(7) . .
F2 B1 F1 109.8(3) . .
F2 B1 N2 110.9(3) . .
F1 B1 N2 110.0(4) . .
F2 B1 N1 110.1(4) . .
F1 B1 N1 109.1(3) . .
N2 B1 N1 106.9(3) . .
F3 B2 F4 108.2(4) . .
F3 B2 N5 111.5(4) . .
F4 B2 N5 110.1(4) . .
F3 B2 N6 110.6(4) . .
F4 B2 N6 109.8(4) . .
N5 B2 N6 106.6(3) . .
Cl4 C77 Cl3 110.2(3) . .
Cl4 C77 Cl5 109.8(3) . .
Cl3 C77 Cl5 110.0(3) . .
Cl4 C77 H77 109.0 . .
Cl3 C77 H77 109.0 . .
Cl5 C77 H77 109.0 . .
Cl6 C78 Cl8 90.7(8) . .
Cl6 C78 Cl7 95.1(7) . .
Cl8 C78 Cl7 155.0(9) . .
Cl6 C78 H78 101.3 . .
Cl8 C78 H78 101.3 . .
Cl7 C78 H78 101.3 . .
Cl7B C78B Cl6B 122.8(16) . .
Cl7B C78B Cl8B 118.5(12) . .
Cl6B C78B Cl8B 118.1(14) . .
Cl7B C78B H78B 92.6 . .
Cl6B C78B H78B 92.6 . .
Cl8B C78B H78B 92.6 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 N1 1.351(5) .
C1 C2 1.411(5) .
C1 C21 1.437(5) .
C2 C3 1.373(6) .
C2 Ag2 2.605(4) .
C2 H2 0.9500 .
C3 C4 1.422(5) .
C3 C10 1.487(5) .
C4 N1 1.389(5) .
C4 C5 1.404(6) .
C5 C6 1.378(5) .
C5 C12 1.498(5) .
C6 N2 1.401(5) .
C6 C7 1.429(6) .
C7 C8 1.359(5) .
C7 C11 1.508(6) .
C8 C9 1.408(6) .
C8 H8 0.9500 .
C9 N2 1.357(5) .
C9 C30 1.433(5) .
C10 H10A 0.9800 .
C10 H10B 0.9800 .
C10 H10C 0.9800 .
C11 H11A 0.9800 .
C11 H11B 0.9800 .
C11 H11C 0.9800 .
C12 C13 1.389(6) .
C12 C17 1.400(6) .
C13 C14 1.391(5) .
C13 C18 1.495(6) .
C14 C15 1.374(6) .
C14 H14 0.9500 .
C15 C16 1.394(6) .
C15 C19 1.513(6) .
C16 C17 1.381(5) .
C16 H16 0.9500 .
C17 C20 1.500(6) .
C18 H18A 0.9800 .
C18 H18B 0.9800 .
C18 H18C 0.9800 .
C19 H19A 0.9800 .
C19 H19B 0.9800 .
C19 H19C 0.9800 .
C20 H20A 0.9800 .
C20 H20B 0.9800 .
C20 H20C 0.9800 .
C21 C22 1.339(6) .
C21 H21 0.9500 .
C22 C23 1.471(6) .
C22 H22 0.9500 .
C23 C28 1.382(5) .
C23 C24 1.392(6) .
C24 C25 1.376(6) .
C24 H24 0.9500 .
C25 C26 1.401(6) .
C25 H25 0.9500 .
C26 C27 1.382(6) .
C26 C29 1.429(6) .
C27 C28 1.383(6) .
C27 H27 0.9500 .
C28 H28 0.9500 .
C29 N3 1.130(5) .
C30 C31 1.326(6) .
C30 H30 0.9500 .
C31 C32 1.459(5) .
C31 H31 0.9500 .
C32 C33 1.380(6) .
C32 C37 1.394(6) .
C33 C34 1.377(6) .
C33 H33 0.9500 .
C34 C35 1.378(6) .
C34 H34 0.9500 .
C35 C36 1.367(7) .
C35 C38 1.438(6) .
C36 C37 1.373(6) .
C36 H36 0.9500 .
C37 H37 0.9500 .
C38 N4 1.129(5) .
C39 N5 1.356(5) .
C39 C40 1.399(7) .
C39 C59 1.444(6) .
C40 C41 1.375(6) .
C40 H40 0.9500 .
C41 C42 1.421(6) .
C41 C48 1.513(6) .
C42 N5 1.384(5) .
C42 C43 1.402(6) .
C43 C44 1.395(6) .
C43 C50 1.493(5) .
C44 N6 1.371(5) .
C44 C45 1.426(6) .
C45 C46 1.370(6) .
C45 C49 1.476(5) .
C46 C47 1.384(6) 2_867
C46 H46 0.9500 .
C47 N6 1.369(6) 2_867
C47 C68 1.432(6) .
C48 H48A 0.9800 .
C48 H48B 0.9800 .
C48 H48C 0.9800 .
C49 H49A 0.9800 .
C49 H49B 0.9800 .
C49 H49C 0.9800 .
C50 C51 1.392(6) .
C50 C55 1.405(6) .
C51 C52 1.388(6) .
C51 C56 1.499(6) .
C52 C53 1.380(7) .
C52 H52 0.9500 .
C53 C54 1.386(6) .
C53 C57 1.499(6) .
C54 C55 1.393(6) .
C54 H54 0.9500 .
C55 C58 1.478(6) .
C56 H56A 0.9800 .
C56 H56B 0.9800 .
C56 H56C 0.9800 .
C57 H57A 0.9800 .
C57 H57B 0.9800 .
C57 H57C 0.9800 .
C58 H58A 0.9800 .
C58 H58B 0.9800 .
C58 H58C 0.9800 .
C59 C60 1.344(6) .
C59 H59 0.9500 .
C60 C61 1.451(6) .
C60 H60 0.9500 .
C61 C62 1.388(6) .
C61 C66 1.408(7) .
C62 C63 1.377(6) .
C62 H62 0.9500 .
C63 C64 1.372(6) .
C63 H63 0.9500 .
C64 C65 1.398(6) .
C64 C67 1.436(6) .
C65 C66 1.368(6) .
C65 H65 0.9500 .
C66 H66 0.9500 .
C67 N7 1.136(5) .
C68 C69 1.335(7) .
C68 H68 0.9500 .
C69 C70 1.468(6) .
C69 H69 0.9500 .
C70 C71 1.367(6) .
C70 C75 1.410(6) .
C71 C72 1.378(6) .
C71 H71 0.9500 .
C72 C73 1.379(6) .
C72 H72 0.9500 .
C73 C74 1.385(7) .
C73 C76 1.440(6) .
C74 C75 1.364(7) .
C74 H74 0.9500 .
C75 H75 0.9500 .
C76 N8 1.127(6) .
N1 B1 1.547(5) .
N2 B1 1.539(6) .
N3 Ag1 2.138(4) .
N4 Ag1 2.159(4) 2_666
N5 B2 1.533(7) .
N6 B2 1.533(6) .
N7 Ag2 2.180(4) .
N8 Ag2 2.179(4) .
O1 Cl1 1.438(4) .
O1 Ag1 2.431(4) .
O2 Cl1 1.396(4) .
O3 Cl1 1.416(4) .
O4 Cl1 1.395(4) .
O5 Cl2 1.388(4) .
O6 Cl2 1.419(19) .
O6 Ag2 2.38(2) .
O7 Cl2 1.430(14) .
O8 Cl2 1.387(13) .
O6B Cl2 1.39(3) .
O6B Ag2 2.48(3) .
O7B Cl2 1.345(13) .
O8B Cl2 1.433(15) .
F1 B1 1.378(5) .
F2 B1 1.376(5) .
F3 B2 1.377(6) .
F4 B2 1.380(6) .
C77 Cl4 1.735(6) .
C77 Cl3 1.748(5) .
C77 Cl5 1.755(6) .
C77 H77 1.0000 .
C78 Cl6 1.543(17) .
C78 Cl8 1.925(15) .
C78 Cl7 1.939(15) .
C78 H78 1.0000 .
C78B Cl7B 1.64(3) .
C78B Cl6B 1.780(10) .
C78B Cl8B 1.79(3) .
C78B H78B 1.0000 .
