Two in one: a facile modular approach for the assembly of pnictogen-rich heteroleptic organometallic complexes
Mondal, Bijan; Riesinger, Christoph; Scheer, Manfred; Chemical Science  (2025) –; doi:10.1039/D5SC07723K

data_1576224
_publ_section_title
;
 Two in one: a facile modular approach for the assembly of pnictogen-rich
 heteroleptic organometallic complexes
;
_journal_name_full               'Chemical Science'
_journal_paper_doi               10.1039/D5SC07723K
_journal_year                    2025
_chemical_formula_moiety
'Ag2 C52 Fe4 P20, Al C15.9 F35.411 O4.073, Al C15.596 F34.802 O3.995, 0.8(C1 F2), 0.8(F1), 2[CH2Cl2]'
_chemical_formula_sum            'C86 H4 Ag2 Al2 Cl4 F72 Fe4 O8 P20'
_chemical_formula_weight         3787.19
_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
_atom_sites_solution_primary     dual
_audit_creation_date             2023-06-17
_audit_creation_method
;
Olex2 1.5-alpha
(compiled 2023.03.06 svn.rbb2c1857 for OlexSys, GUI svn.r6748)
;
_audit_update_record
;
2025-06-22 deposited with the CCDC.	2025-10-27 downloaded from the CCDC.
;
_cell_angle_alpha                74.251(2)
_cell_angle_beta                 65.788(2)
_cell_angle_gamma                64.305(3)
_cell_formula_units_Z            2
_cell_length_a                   19.0233(5)
_cell_length_b                   20.1187(5)
_cell_length_c                   22.1771(5)
_cell_measurement_reflns_used    43099
_cell_measurement_temperature    100.00(10)
_cell_measurement_theta_max      32.0800
_cell_measurement_theta_min      2.1290
_cell_volume                     6930.2(4)
_computing_cell_refinement       'CrysAlisPro 1.171.41.93a (Rigaku OD, 2020)'
_computing_data_collection       'CrysAlisPro 1.171.41.93a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.41.93a (Rigaku OD, 2020)'
_computing_molecular_graphics    'Olex2 1.5-alpha (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5-alpha (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.00(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            'HyPix-Arc 150'
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  t~exp~   \w     \q     \k     \f   Frames
  1  \w    -16.00  14.00   0.50   42.00    --    0.02 102.00  68.61   60
  2  \w    -14.00  22.00   0.50   42.00    --    0.02 100.00 -59.40   72
  3  \w    -35.00  34.00   0.50   42.00    --   14.00 -22.00   5.50  138
  4  \w    -35.00  10.00   0.50   42.00    --   14.00 -33.00 115.55   90
  5  \w    -29.00   9.00   0.50   42.00    --   18.00 -48.00 152.16   76
  6  \w    -31.00  13.00   0.50   42.00    --   18.00 -34.00  80.94   88
  7  \w    -61.00 -13.00   0.50   42.00    --  -30.00 126.00-101.79   96
  8  \w      8.00  44.00   0.50   42.00    --    0.02  58.00  84.90   72
  9  \w    -35.00   9.00   0.50   42.00    --   14.00 -34.00-146.80   88
 10  \w    -35.00   9.00   0.50   42.00    --   14.00 -34.00 -87.37   88
 11  \w    -56.00  -6.00   0.50   42.00    --  -30.00 115.00 159.07  100
 12  \w    -59.00 -11.00   0.50   42.00    --  -30.00 122.00  34.78   96
 13  \w    -18.00  20.00   0.50   42.00    --   30.00 -41.00 175.57   76
 14  \w    -42.00  33.00   0.50   42.00    --    6.00 -20.00 -55.51  150
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy R, DW system, HyPix-Arc 150'
_diffrn_measurement_method       '\w scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0428738000
_diffrn_orient_matrix_UB_12      0.0200003000
_diffrn_orient_matrix_UB_13      0.0149566000
_diffrn_orient_matrix_UB_21      0.0060685000
_diffrn_orient_matrix_UB_22      -0.0050409000
_diffrn_orient_matrix_UB_23      0.0306718000
_diffrn_orient_matrix_UB_31      0.0075314000
_diffrn_orient_matrix_UB_32      0.0335472000
_diffrn_orient_matrix_UB_33      -0.0090277000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0474
_diffrn_reflns_av_unetI/netI     0.0472
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            190300
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.508
_diffrn_reflns_theta_min         1.994
_diffrn_source                   'Rotating-anode X-ray tube'
_diffrn_source_type              'Rigaku (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    1.149
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.800
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.41.93a (Rigaku Oxford Diffraction, 2020)
Numerical absorption correction based on gaussian integration over
a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear green'
_exptl_crystal_density_diffrn    1.815
_exptl_crystal_description       plate
_exptl_crystal_F_000             3648
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.04
_refine_diff_density_max         1.690
_refine_diff_density_min         -0.826
_refine_diff_density_rms         0.148
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     3085
_refine_ls_number_reflns         41925
_refine_ls_number_restraints     4076
_refine_ls_restrained_S_all      1.054
_refine_ls_R_factor_all          0.1255
_refine_ls_R_factor_gt           0.0860
_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/[\s^2^(Fo^2^)+(0.1470P)^2^+15.4573P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2366
_refine_ls_wR_factor_ref         0.2673
_reflns_Friedel_coverage         0.000
_reflns_number_gt                27246
_reflns_number_total             41925
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d5sc07723k2.cif
_cod_data_source_block           bm339_cr
_cod_database_code               1576224
_shelx_shelxl_version_number     2018/3
_chemical_oxdiff_formula         C85H86O8F72Al2P10Cl2Fe2Ag2
_shelx_estimated_absorpt_t_max   0.955
_shelx_estimated_absorpt_t_min   0.829
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C15-C66 = C73-C66 = C81-C66
 1.53 with sigma of 0.02
 C79-C39 = C83-C39 = C5-C39
 1.53 with sigma of 0.02
 F36-C73 = F35-C73 = F55-C73 = F7-C81 = F39-C81 = F71-C81 = F49-C15 = F42-C15 =
  F59-C15
 1.33 with sigma of 0.02
 C5A-C39A = C85-C75 = C83A-C39A = C79A-C39A = C85-C69 = C85-C19 = C85A-C75A =
 C85A-C19A
 1.53 with sigma of 0.02
 C85A-C69A
 1.53 with sigma of 0.02
 C21-C29
 1.53 with sigma of 0.02
 F17A-C37A = F45A-C37A = F43A-C37A
 1.33 with sigma of 0.02
 F2A-C64A = F15A-C64A = F13A-C64A
 1.33 with sigma of 0.02
 C5-C79
 2.5 with sigma of 0.04
 C5-C83
 2.5 with sigma of 0.04
 F59-F49
 2.2 with sigma of 0.04
 C83-C79
 2.5 with sigma of 0.04
 F49-F42
 2.2 with sigma of 0.04
 F42-F59
 2.2 with sigma of 0.04
 F7-F71
 2.2 with sigma of 0.04
 F71-F39
 2.2 with sigma of 0.04
 F39-F7
 2.2 with sigma of 0.04
 C69A-C75A
 2.5 with sigma of 0.04
 C75A-C19A
 2.5 with sigma of 0.04
 F55-F36
 2.2 with sigma of 0.04
 C19A-C69A
 2.5 with sigma of 0.04
 F36-F35
 2.2 with sigma of 0.04
 F55-F35
 2.2 with sigma of 0.04
 C81-C15
 2.5 with sigma of 0.04
 C15-C73
 2.5 with sigma of 0.04
 C73-C81
 2.5 with sigma of 0.04
 C83A-C5A
 2.5 with sigma of 0.04
 C5A-C79A
 2.5 with sigma of 0.04
 C79A-C83A
 2.5 with sigma of 0.04
 C69-C75
 2.5 with sigma of 0.04
 C75-C19
 2.5 with sigma of 0.04
 C19-C69
 2.5 with sigma of 0.04
 F45A-F43A
 2.2 with sigma of 0.04
 F45A-F17A
 2.2 with sigma of 0.04
 F17A-F43A
 2.2 with sigma of 0.04
 F13A-F2A
 2.2 with sigma of 0.04
 F2A-F15A
 2.2 with sigma of 0.04
 F15A-F13A
 2.2 with sigma of 0.04
 C39-C23 \\sim C85A-C70A \\sim C85-C70 \\sim C39A-C23A
 with sigma of 0.02
 C70A-C63A \\sim C63A-C23A \\sim C33A-C23A \\sim C51A-C33A \\sim C70A-C51A
 with sigma of 0.02
 P20A-P15A \\sim P20-P15
 with sigma of 0.02
 P7-P15 \\sim P7A-P15A
 with sigma of 0.02
 P7-P18 \\sim P7A-P18A
 with sigma of 0.02
 P18A-P12A \\sim P18-P12
 with sigma of 0.02
 P20-P12 \\sim P20A-P12A
 with sigma of 0.02
 Fe2A-P7A \\sim Fe2A-P18A \\sim Fe2A-P15A \\sim Fe2A-P20A \\sim Fe2A-P12A
 with sigma of 0.02
 Al0K-O5 \\sim Al0K-O5A
 with sigma of 0.02
 F1-C57 \\sim F1A-C57A
 with sigma of 0.02
 F4-C80 \\sim F4A-C80
 with sigma of 0.02
 F8-C80 \\sim F8A-C80
 with sigma of 0.02
 F18-C67 \\sim F18A-C67A
 with sigma of 0.02
 F32-C67 \\sim F32A-C67A
 with sigma of 0.02
 C36-C80 \\sim C36A-C80
 with sigma of 0.02
 C36-O5 \\sim C36A-O5A
 with sigma of 0.02
 C36-C57 \\sim C36A-C57A
 with sigma of 0.02
 C36-C67 \\sim C36A-C67A
 with sigma of 0.02
 F50-C80 \\sim F50A-C80
 with sigma of 0.02
 F52-C57 \\sim F52A-C57A
 with sigma of 0.02
 F72-C67 \\sim F72A-C67A
 with sigma of 0.02
 F51-C57 \\sim F51A-C57A
 with sigma of 0.02
 Al0K-C36 \\sim Al0K-C36A
 with sigma of 0.04
 F1-C36 \\sim F1A-C36A
 with sigma of 0.04
 F1-F52 \\sim F1A-F52A
 with sigma of 0.04
 F1-F51 \\sim F1A-F51A
 with sigma of 0.04
 F18-F32 \\sim F18A-F32A
 with sigma of 0.04
 F18-C36 \\sim F18A-C36A
 with sigma of 0.04
 F18-F72 \\sim F18A-F72A
 with sigma of 0.04
 F32-C36 \\sim F32A-C36A
 with sigma of 0.04
 F32-F72 \\sim F32A-F72A
 with sigma of 0.04
 C36-F52 \\sim C36A-F52A
 with sigma of 0.04
 C36-F72 \\sim C36A-F72A
 with sigma of 0.04
 C36-F51 \\sim C36A-F51A
 with sigma of 0.04
 F52-F51 \\sim F52A-F51A
 with sigma of 0.04
 C80-O5 \\sim C80-O5A
 with sigma of 0.04
 C80-C57 \\sim C80-C57A
 with sigma of 0.04
 C80-C67 \\sim C80-C67A
 with sigma of 0.04
 O5-C57 \\sim O5A-C57A
 with sigma of 0.04
 O5-C67 \\sim O5A-C67A
 with sigma of 0.04
 C57-C67 \\sim C57A-C67A
 with sigma of 0.04
 Al0K-O4 \\sim Al0K-O4A
 with sigma of 0.02
 F6-C7 \\sim F6A-C7A
 with sigma of 0.02
 C24-O4 \\sim C24A-O4A
 with sigma of 0.02
 C24-C25 \\sim C24A-C25A
 with sigma of 0.02
 C24-C7 \\sim C24A-C7A
 with sigma of 0.02
 C24-C77 \\sim C24A-C77A
 with sigma of 0.02
 F30-C25 \\sim F30A-C25A
 with sigma of 0.02
 F48-C25 \\sim F48A-C25A
 with sigma of 0.02
 F60-C7 \\sim F60A-C7A
 with sigma of 0.02
 F37-C77 \\sim F37A-C77A
 with sigma of 0.02
 F47-C25 \\sim F47A-C25A
 with sigma of 0.02
 F25-C77 \\sim F25A-C77A
 with sigma of 0.02
 C7-F63 \\sim C7A-F63A
 with sigma of 0.02
 F61-C77 \\sim F61A-C77A
 with sigma of 0.02
 Al0K-C24 \\sim Al0K-C24A
 with sigma of 0.04
 F6-C24 \\sim F6A-C24A
 with sigma of 0.04
 F6-F60 \\sim F6A-F60A
 with sigma of 0.04
 F6-F63 \\sim F6A-F63A
 with sigma of 0.04
 C24-F30 \\sim C24A-F30A
 with sigma of 0.04
 C24-F48 \\sim C24A-F48A
 with sigma of 0.04
 C24-F60 \\sim C24A-F60A
 with sigma of 0.04
 C24-F37 \\sim C24A-F37A
 with sigma of 0.04
 C24-F47 \\sim C24A-F47A
 with sigma of 0.04
 C24-F25 \\sim C24A-F25A
 with sigma of 0.04
 C24-F61 \\sim C24A-F61A
 with sigma of 0.04
 C24-F63 \\sim C24A-F63A
 with sigma of 0.04
 F30-F48 \\sim F30A-F48A
 with sigma of 0.04
 F30-F47 \\sim F30A-F47A
 with sigma of 0.04
 O4-C25 \\sim O4A-C25A
 with sigma of 0.04
 O4-C7 \\sim O4A-C7A
 with sigma of 0.04
 O4-C77 \\sim O4A-C77A
 with sigma of 0.04
 F48-F47 \\sim F48A-F47A
 with sigma of 0.04
 F60-F63 \\sim F60A-F63A
 with sigma of 0.04
 F37-F25 \\sim F37A-F25A
 with sigma of 0.04
 F37-F61 \\sim F37A-F61A
 with sigma of 0.04
 F25-F61 \\sim F25A-F61A
 with sigma of 0.04
 C25-C7 \\sim C25A-C7A
 with sigma of 0.04
 C25-C77 \\sim C25A-C77A
 with sigma of 0.04
 C7-C77 \\sim C7A-C77A
 with sigma of 0.04
 Al0K-O2 \\sim Al0K-O2A
 with sigma of 0.02
 F36-C73 \\sim F36A-C73A
 with sigma of 0.02
 F42-C15 \\sim F42A-C15A
 with sigma of 0.02
 C66-O2 \\sim C66A-O2A
 with sigma of 0.02
 C66-C15 \\sim C66A-C15A
 with sigma of 0.02
 C66-C73 \\sim C66A-C73A
 with sigma of 0.02
 C66-C81 \\sim C66A-C81A
 with sigma of 0.02
 F39-C81 \\sim F39A-C81A
 with sigma of 0.02
 F49-C15 \\sim F49A-C15A
 with sigma of 0.02
 F55-C73 \\sim F55A-C73A
 with sigma of 0.02
 F7-C81 \\sim F7A-C81A
 with sigma of 0.02
 F59-C15 \\sim F59A-C15A
 with sigma of 0.02
 C73-F35 \\sim C73A-F35A
 with sigma of 0.02
 F71-C81 \\sim F71A-C81A
 with sigma of 0.02
 Al0K-C66 \\sim Al0K-C66A
 with sigma of 0.04
 F36-C66 \\sim F36A-C66A
 with sigma of 0.04
 F36-F55 \\sim F36A-F55A
 with sigma of 0.04
 F36-F35 \\sim F36A-F35A
 with sigma of 0.04
 F42-C66 \\sim F42A-C66A
 with sigma of 0.04
 F42-F49 \\sim F42A-F49A
 with sigma of 0.04
 F42-F59 \\sim F42A-F59A
 with sigma of 0.04
 C66-F39 \\sim C66A-F39A
 with sigma of 0.04
 C66-F49 \\sim C66A-F49A
 with sigma of 0.04
 C66-F55 \\sim C66A-F55A
 with sigma of 0.04
 C66-F7 \\sim C66A-F7A
 with sigma of 0.04
 C66-F59 \\sim C66A-F59A
 with sigma of 0.04
 C66-F35 \\sim C66A-F35A
 with sigma of 0.04
 C66-F71 \\sim C66A-F71A
 with sigma of 0.04
 F39-F7 \\sim F39A-F7A
 with sigma of 0.04
 F39-F71 \\sim F39A-F71A
 with sigma of 0.04
 O2-C15 \\sim O2A-C15A
 with sigma of 0.04
 O2-C73 \\sim O2A-C73A
 with sigma of 0.04
 O2-C81 \\sim O2A-C81A
 with sigma of 0.04
 F49-F59 \\sim F49A-F59A
 with sigma of 0.04
 F55-F35 \\sim F55A-F35A
 with sigma of 0.04
 F7-F71 \\sim F7A-F71A
 with sigma of 0.04
 C15-C73 \\sim C15A-C73A
 with sigma of 0.04
 C15-C81 \\sim C15A-C81A
 with sigma of 0.04
 C73-C81 \\sim C73A-C81A
 with sigma of 0.04
 Al-O8 \\sim Al-O8A
 with sigma of 0.02
 C64-F13 \\sim C64A-F13A
 with sigma of 0.02
 C64-C29 \\sim C64A-C29A
 with sigma of 0.02
 C64-F15 \\sim C64A-F15A
 with sigma of 0.02
 C64-F2 \\sim C64A-F2A
 with sigma of 0.02
 O8-C29 \\sim O8A-C29A
 with sigma of 0.02
 F43-C37 \\sim F43A-C37A
 with sigma of 0.02
 F45-C37 \\sim F45A-C37A
 with sigma of 0.02
 C29-C37 \\sim C29A-C37A
 with sigma of 0.02
 C29-C21 \\sim C29A-C21A
 with sigma of 0.02
 F33-C21 \\sim F33A-C21A
 with sigma of 0.02
 F67-C21 \\sim F67A-C21A
 with sigma of 0.02
 F17-C37 \\sim F17A-C37A
 with sigma of 0.02
 F69-C21 \\sim F69A-C21A
 with sigma of 0.02
 Al-C29 \\sim Al-C29A
 with sigma of 0.04
 C64-O8 \\sim C64A-O8A
 with sigma of 0.04
 C64-C37 \\sim C64A-C37A
 with sigma of 0.04
 C64-C21 \\sim C64A-C21A
 with sigma of 0.04
 O8-C37 \\sim O8A-C37A
 with sigma of 0.04
 O8-C21 \\sim O8A-C21A
 with sigma of 0.04
 F43-F45 \\sim F43A-F45A
 with sigma of 0.04
 F43-C29 \\sim F43A-C29A
 with sigma of 0.04
 F43-F17 \\sim F43A-F17A
 with sigma of 0.04
 F45-C29 \\sim F45A-C29A
 with sigma of 0.04
 F45-F17 \\sim F45A-F17A
 with sigma of 0.04
 F13-C29 \\sim F13A-C29A
 with sigma of 0.04
 F13-F15 \\sim F13A-F15A
 with sigma of 0.04
 F13-F2 \\sim F13A-F2A
 with sigma of 0.04
 C29-F15 \\sim C29A-F15A
 with sigma of 0.04
 C29-F2 \\sim C29A-F2A
 with sigma of 0.04
 C29-F33 \\sim C29A-F33A
 with sigma of 0.04
 C29-F67 \\sim C29A-F67A
 with sigma of 0.04
 C29-F17 \\sim C29A-F17A
 with sigma of 0.04
 C29-F69 \\sim C29A-F69A
 with sigma of 0.04
 F15-F2 \\sim F15A-F2A
 with sigma of 0.04
 F33-F67 \\sim F33A-F67A
 with sigma of 0.04
 F33-F69 \\sim F33A-F69A
 with sigma of 0.04
 F67-F69 \\sim F67A-F69A
 with sigma of 0.04
 C37-C21 \\sim C37A-C21A
 with sigma of 0.04
 Al-O7 \\sim Al-O7A
 with sigma of 0.02
 F34-C9 \\sim F34A-C9A
 with sigma of 0.02
 F40-C17 \\sim F40A-C17A
 with sigma of 0.02
 F46-C17 \\sim F46A-C17A
 with sigma of 0.02
 F54-C35 \\sim F54A-C35A
 with sigma of 0.02
 F56-C9 \\sim F56A-C9A
 with sigma of 0.02
 F64-C35 \\sim F64A-C35A
 with sigma of 0.02
 C78-O7 \\sim C78A-O7A
 with sigma of 0.02
 C78-C17 \\sim C78A-C17A
 with sigma of 0.02
 C78-C35 \\sim C78A-C35A
 with sigma of 0.02
 C78-C9 \\sim C78A-C9A
 with sigma of 0.02
 F21-C17 \\sim F21A-C17A
 with sigma of 0.02
 F11-C9 \\sim F11A-C9A
 with sigma of 0.02
 F23-C35 \\sim F23A-C35A
 with sigma of 0.02
 Al-C78 \\sim Al-C78A
 with sigma of 0.04
 F34-F56 \\sim F34A-F56A
 with sigma of 0.04
 F34-C78 \\sim F34A-C78A
 with sigma of 0.04
 F34-F11 \\sim F34A-F11A
 with sigma of 0.04
 F40-F46 \\sim F40A-F46A
 with sigma of 0.04
 F40-C78 \\sim F40A-C78A
 with sigma of 0.04
 F40-F21 \\sim F40A-F21A
 with sigma of 0.04
 F46-C78 \\sim F46A-C78A
 with sigma of 0.04
 F46-F21 \\sim F46A-F21A
 with sigma of 0.04
 F54-F64 \\sim F54A-F64A
 with sigma of 0.04
 F54-C78 \\sim F54A-C78A
 with sigma of 0.04
 F54-F23 \\sim F54A-F23A
 with sigma of 0.04
 F56-C78 \\sim F56A-C78A
 with sigma of 0.04
 F56-F11 \\sim F56A-F11A
 with sigma of 0.04
 F64-C78 \\sim F64A-C78A
 with sigma of 0.04
 F64-F23 \\sim F64A-F23A
 with sigma of 0.04
 C78-F21 \\sim C78A-F21A
 with sigma of 0.04
 C78-F11 \\sim C78A-F11A
 with sigma of 0.04
 C78-F23 \\sim C78A-F23A
 with sigma of 0.04
 O7-C17 \\sim O7A-C17A
 with sigma of 0.04
 O7-C35 \\sim O7A-C35A
 with sigma of 0.04
 O7-C9 \\sim O7A-C9A
 with sigma of 0.04
 C17-C35 \\sim C17A-C35A
 with sigma of 0.04
 C17-C9 \\sim C17A-C9A
 with sigma of 0.04
 C35-C9 \\sim C35A-C9A
 with sigma of 0.04
 Al-O1 \\sim Al-O1A
 with sigma of 0.02
 O1-C56 \\sim O1A-C56A
 with sigma of 0.02
 F16-C2 \\sim F16A-C2A
 with sigma of 0.02
 F22-C55 \\sim F22A-C55A
 with sigma of 0.02
 C56-C55 \\sim C56A-C55A
 with sigma of 0.02
 C56-C2 \\sim C56A-C2A
 with sigma of 0.02
 C56-C41 \\sim C56A-C41A
 with sigma of 0.02
 F66-C2 \\sim F66A-C2A
 with sigma of 0.02
 F19-C55 \\sim F19A-C55A
 with sigma of 0.02
 F41-C2 \\sim F41A-C2A
 with sigma of 0.02
 F53-C55 \\sim F53A-C55A
 with sigma of 0.02
 F29-C41 \\sim F29A-C41A
 with sigma of 0.02
 F31-C41 \\sim F31A-C41A
 with sigma of 0.02
 F65-C41 \\sim F65A-C41A
 with sigma of 0.02
 Al-C56 \\sim Al-C56A
 with sigma of 0.04
 O1-C55 \\sim O1A-C55A
 with sigma of 0.04
 O1-C2 \\sim O1A-C2A
 with sigma of 0.04
 O1-C41 \\sim O1A-C41A
 with sigma of 0.04
 F16-C56 \\sim F16A-C56A
 with sigma of 0.04
 F16-F66 \\sim F16A-F66A
 with sigma of 0.04
 F16-F41 \\sim F16A-F41A
 with sigma of 0.04
 F22-C56 \\sim F22A-C56A
 with sigma of 0.04
 F22-F19 \\sim F22A-F19A
 with sigma of 0.04
 F22-F53 \\sim F22A-F53A
 with sigma of 0.04
 C56-F66 \\sim C56A-F66A
 with sigma of 0.04
 C56-F19 \\sim C56A-F19A
 with sigma of 0.04
 C56-F41 \\sim C56A-F41A
 with sigma of 0.04
 C56-F53 \\sim C56A-F53A
 with sigma of 0.04
 C56-F29 \\sim C56A-F29A
 with sigma of 0.04
 C56-F31 \\sim C56A-F31A
 with sigma of 0.04
 C56-F65 \\sim C56A-F65A
 with sigma of 0.04
 F66-F41 \\sim F66A-F41A
 with sigma of 0.04
 F19-F53 \\sim F19A-F53A
 with sigma of 0.04
 F29-F31 \\sim F29A-F31A
 with sigma of 0.04
 F29-F65 \\sim F29A-F65A
 with sigma of 0.04
 C55-C2 \\sim C55A-C2A
 with sigma of 0.04
 C55-C41 \\sim C55A-C41A
 with sigma of 0.04
 F31-F65 \\sim F31A-F65A
 with sigma of 0.04
 C2-C41 \\sim C2A-C41A
 with sigma of 0.04
 Al-O6 \\sim Al-O6A
 with sigma of 0.02
 F12-C76 \\sim F12A-C76A
 with sigma of 0.02
 F20-C76 \\sim F20A-C76A
 with sigma of 0.02
 F24-C3 \\sim F24A-C3A
 with sigma of 0.02
 F26-C76 \\sim F26A-C76A
 with sigma of 0.02
 C30-O6 \\sim C30A-O6A
 with sigma of 0.02
 C30-C76 \\sim C30A-C76A
 with sigma of 0.02
 C30-C3 \\sim C30A-C3A
 with sigma of 0.02
 C30-C71 \\sim C30A-C71A
 with sigma of 0.02
 F62-C3 \\sim F62A-C3A
 with sigma of 0.02
 F68-C3 \\sim F68A-C3A
 with sigma of 0.02
 F70-C71 \\sim F70A-C71A
 with sigma of 0.02
 F9-C71 \\sim F9A-C71A
 with sigma of 0.02
 F3-C71 \\sim F3A-C71A
 with sigma of 0.02
 Al-C30 \\sim Al-C30A
 with sigma of 0.04
 F12-F20 \\sim F12A-F20A
 with sigma of 0.04
 F12-F26 \\sim F12A-F26A
 with sigma of 0.04
 F12-C30 \\sim F12A-C30A
 with sigma of 0.04
 F20-F26 \\sim F20A-F26A
 with sigma of 0.04
 F20-C30 \\sim F20A-C30A
 with sigma of 0.04
 F24-C30 \\sim F24A-C30A
 with sigma of 0.04
 F24-F62 \\sim F24A-F62A
 with sigma of 0.04
 F24-F68 \\sim F24A-F68A
 with sigma of 0.04
 F26-C30 \\sim F26A-C30A
 with sigma of 0.04
 C30-F62 \\sim C30A-F62A
 with sigma of 0.04
 C30-F68 \\sim C30A-F68A
 with sigma of 0.04
 C30-F70 \\sim C30A-F70A
 with sigma of 0.04
 C30-F9 \\sim C30A-F9A
 with sigma of 0.04
 C30-F3 \\sim C30A-F3A
 with sigma of 0.04
 O6-C76 \\sim O6A-C76A
 with sigma of 0.04
 O6-C3 \\sim O6A-C3A
 with sigma of 0.04
 O6-C71 \\sim O6A-C71A
 with sigma of 0.04
 F62-F68 \\sim F62A-F68A
 with sigma of 0.04
 F70-F9 \\sim F70A-F9A
 with sigma of 0.04
 F70-F3 \\sim F70A-F3A
 with sigma of 0.04
 C76-C3 \\sim C76A-C3A
 with sigma of 0.04
 C76-C71 \\sim C76A-C71A
 with sigma of 0.04
 F9-F3 \\sim F9A-F3A
 with sigma of 0.04
 C3-C71 \\sim C3A-C71A
 with sigma of 0.04
 C22-C40 \\sim C22-C40A
 with sigma of 0.02
 C32-C38 \\sim C32A-C38A
 with sigma of 0.02
 C32-C40 \\sim C32A-C40A
 with sigma of 0.02
 C38-C50 \\sim C38A-C50A
 with sigma of 0.02
 C40-C48 \\sim C40A-C48A
 with sigma of 0.02
 C48-C50 \\sim C48A-C50A
 with sigma of 0.02
 C50-C11 \\sim C50A-C11
 with sigma of 0.02
 Fe2-C32 \\sim Fe2-C32A
 with sigma of 0.04
 Fe2-C38 \\sim Fe2-C38A
 with sigma of 0.04
 Fe2-C40 \\sim Fe2-C40A
 with sigma of 0.04
 Fe2-C48 \\sim Fe2-C48A
 with sigma of 0.04
 Fe2-C50 \\sim Fe2-C50A
 with sigma of 0.04
 C22-C32 \\sim C22-C32A
 with sigma of 0.04
 C22-C48 \\sim C22-C48A
 with sigma of 0.04
 C32-C48 \\sim C32A-C48A
 with sigma of 0.04
 C32-C50 \\sim C32A-C50A
 with sigma of 0.04
 C32-Fe2A \\sim C32A-Fe2A
 with sigma of 0.04
 C38-C40 \\sim C38A-C40A
 with sigma of 0.04
 C38-C48 \\sim C38A-C48A
 with sigma of 0.04
 C38-C11 \\sim C38A-C11
 with sigma of 0.04
 C38-Fe2A \\sim C38A-Fe2A
 with sigma of 0.04
 C40-C50 \\sim C40A-C50A
 with sigma of 0.04
 C40-Fe2A \\sim C40A-Fe2A
 with sigma of 0.04
 C48-C11 \\sim C48A-C11
 with sigma of 0.04
 C48-Fe2A \\sim C48A-Fe2A
 with sigma of 0.04
 C50-Fe2A \\sim C50A-Fe2A
 with sigma of 0.04
 Al0K-O3 \\sim Al0K-O3A
 with sigma of 0.02
 F10-C53 \\sim F10A-C53A
 with sigma of 0.02
 F14-C59 \\sim F14A-C59A
 with sigma of 0.02
 F28-C53 \\sim F28A-C53A
 with sigma of 0.02
 F38-C65 \\sim F38A-C65A
 with sigma of 0.02
 F44-C65 \\sim F44A-C65A
 with sigma of 0.02
 F58-C59 \\sim F58A-C59A
 with sigma of 0.02
 C72-O3 \\sim C72A-O3A
 with sigma of 0.02
 C72-C53 \\sim C72A-C53A
 with sigma of 0.02
 C72-C59 \\sim C72A-C59A
 with sigma of 0.02
 C72-C65 \\sim C72A-C65A
 with sigma of 0.02
 F5-C53 \\sim F5A-C53A
 with sigma of 0.02
 F27-C59 \\sim F27A-C59A
 with sigma of 0.02
 F57-C65 \\sim F57A-C65A
 with sigma of 0.02
 Al0K-C72 \\sim Al0K-C72A
 with sigma of 0.04
 F10-F28 \\sim F10A-F28A
 with sigma of 0.04
 F10-C72 \\sim F10A-C72A
 with sigma of 0.04
 F10-F5 \\sim F10A-F5A
 with sigma of 0.04
 F14-F58 \\sim F14A-F58A
 with sigma of 0.04
 F14-C72 \\sim F14A-C72A
 with sigma of 0.04
 F14-F27 \\sim F14A-F27A
 with sigma of 0.04
 F28-C72 \\sim F28A-C72A
 with sigma of 0.04
 F28-F5 \\sim F28A-F5A
 with sigma of 0.04
 F38-F44 \\sim F38A-F44A
 with sigma of 0.04
 F38-C72 \\sim F38A-C72A
 with sigma of 0.04
 F38-F57 \\sim F38A-F57A
 with sigma of 0.04
 F44-C72 \\sim F44A-C72A
 with sigma of 0.04
 F44-F57 \\sim F44A-F57A
 with sigma of 0.04
 F58-C72 \\sim F58A-C72A
 with sigma of 0.04
 F58-F27 \\sim F58A-F27A
 with sigma of 0.04
 C72-F5 \\sim C72A-F5A
 with sigma of 0.04
 C72-F27 \\sim C72A-F27A
 with sigma of 0.04
 C72-F57 \\sim C72A-F57A
 with sigma of 0.04
 O3-C53 \\sim O3A-C53A
 with sigma of 0.04
 O3-C59 \\sim O3A-C59A
 with sigma of 0.04
 O3-C65 \\sim O3A-C65A
 with sigma of 0.04
 C53-C59 \\sim C53A-C59A
 with sigma of 0.04
 C53-C65 \\sim C53A-C65A
 with sigma of 0.04
 C59-C65 \\sim C59A-C65A
 with sigma of 0.04
3. Restrained planarity
 P12A, P18A, P20A, P7A, P15A
 with sigma of 0.1
4. Uiso/Uaniso restraints and constraints
C85 \\sim C69 \\sim C75 \\sim C19 \\sim C39A \\sim C79A \\sim C5A \\sim C83A:
within 1.7A with sigma of 0.01 and sigma for terminal atoms of 0.02 within 1.7A
Fe2 \\sim P12 \\sim P18 \\sim P20 \\sim P7 \\sim P15 \\sim Fe2A \\sim P12A
\\sim P18A \\sim P20A \\sim P7A \\sim P15A: within 2.5A with sigma of 0.02 and
sigma for terminal atoms of 0.04 within 2.5A
C70 \\sim C51 \\sim C63 \\sim C33 \\sim C23A \\sim C51A \\sim C63A \\sim C33A
\\sim C23 \\sim C70A: within 1.7A with sigma of 0.02 and sigma for terminal
atoms of 0.04 within 1.7A
F36 \\sim F42 \\sim C66 \\sim F39 \\sim O2 \\sim F49 \\sim F55 \\sim F7 \\sim
F59 \\sim C15 \\sim C73 \\sim F35 \\sim F71 \\sim C81 \\sim F36A \\sim F42A
\\sim C66A \\sim F39A \\sim O2A \\sim F49A \\sim F55A \\sim F7A \\sim F59A
\\sim C15A \\sim C73A \\sim F35A \\sim F71A \\sim C81A: within 1.7A with sigma
of 0.01 and sigma for terminal atoms of 0.02 within 1.7A
F6 \\sim C24 \\sim F30 \\sim O4 \\sim F48 \\sim F60 \\sim F37 \\sim F47 \\sim
F25 \\sim C25 \\sim C7 \\sim F61 \\sim F63 \\sim C77 \\sim F6A \\sim C24A \\sim
F30A \\sim O4A \\sim F48A \\sim F60A \\sim F37A \\sim F47A \\sim F25A \\sim
C25A \\sim C7A \\sim F61A \\sim F63A \\sim C77A: within 1.7A with sigma of 0.01
and sigma for terminal atoms of 0.02 within 1.7A
F1 \\sim F4 \\sim F8 \\sim F18 \\sim F32 \\sim C36 \\sim F50 \\sim F52 \\sim
F72 \\sim C80 \\sim O5 \\sim F51 \\sim C57 \\sim C67 \\sim F1A \\sim F4A \\sim
F8A \\sim F18A \\sim F32A \\sim C36A \\sim F50A \\sim F52A \\sim F72A \\sim O5A
\\sim F51A \\sim C57A \\sim C67A: within 1.7A with sigma of 0.01 and sigma for
terminal atoms of 0.02 within 1.7A
O1 \\sim F16 \\sim F22 \\sim C56 \\sim F66 \\sim F19 \\sim F41 \\sim F53 \\sim
F29 \\sim C55 \\sim F31 \\sim C2 \\sim F65 \\sim C41 \\sim O1A \\sim F16A \\sim
F22A \\sim C56A \\sim F66A \\sim F19A \\sim F41A \\sim F53A \\sim F29A \\sim
C55A \\sim F31A \\sim C2A \\sim F65A \\sim C41A: within 1.7A with sigma of 0.01
and sigma for terminal atoms of 0.02 within 1.7A
C64 \\sim O8 \\sim F43 \\sim F45 \\sim F13 \\sim C29 \\sim F15 \\sim F2 \\sim
F33 \\sim F67 \\sim F17 \\sim C37 \\sim F69 \\sim C21 \\sim C64A \\sim O8A
\\sim F43A \\sim F45A \\sim C29A \\sim F15A \\sim F2A \\sim F33A \\sim F67A
\\sim F17A \\sim C37A \\sim F69A \\sim C21A \\sim F13A: within 1.7A with sigma
of 0.01 and sigma for terminal atoms of 0.02 within 1.7A
F12 \\sim F24 \\sim F26 \\sim C30 \\sim O6 \\sim F62 \\sim F68 \\sim F70 \\sim
C76 \\sim F9 \\sim F3 \\sim C3 \\sim C71 \\sim F12A \\sim F20A \\sim F24A \\sim
F26A \\sim C30A \\sim O6A \\sim F62A \\sim F68A \\sim F70A \\sim C76A \\sim F3A
\\sim C3A \\sim C71A \\sim F20 \\sim F9A: within 1.7A with sigma of 0.01 and
sigma for terminal atoms of 0.02 within 1.7A
F34 \\sim F40 \\sim F46 \\sim F54 \\sim F56 \\sim F64 \\sim C78 \\sim F21 \\sim
F11 \\sim F23 \\sim C17 \\sim C35 \\sim C9 \\sim F34A \\sim F40A \\sim F46A
\\sim F54A \\sim F56A \\sim F64A \\sim C78A \\sim F21A \\sim F11A \\sim F23A
\\sim C17A \\sim C35A \\sim C9A \\sim O7 \\sim O7A: within 1.7A with sigma of
0.01 and sigma for terminal atoms of 0.02 within 1.7A
C48A \\sim C48 \\sim C40A \\sim C40 \\sim C32A \\sim C32 \\sim C38A \\sim C38
\\sim C50 \\sim C50A: within 1.7A with sigma of 0.01 and sigma for terminal
atoms of 0.02 within 1.7A
C70A \\sim C23 \\sim C85A \\sim C69A \\sim C83 \\sim C19A \\sim C5 \\sim C75A
\\sim C79 \\sim C39: within 1.7A with sigma of 0.01 and sigma for terminal
atoms of 0.02 within 1.7A
F10 \\sim F14 \\sim F28 \\sim F38 \\sim F44 \\sim F58 \\sim C72 \\sim F5 \\sim
O3 \\sim F27 \\sim F57 \\sim C53 \\sim C59 \\sim C65 \\sim F10A \\sim F14A
\\sim F28A \\sim F38A \\sim F44A \\sim F58A \\sim C72A \\sim F5A \\sim O3A
\\sim F27A \\sim F57A \\sim C53A \\sim C59A \\sim C65A: within 1.7A with sigma
of 0.01 and sigma for terminal atoms of 0.02 within 1.7A
Ag3 \\sim Ag4 \\sim Ag2A \\sim Ag2: within 2A with sigma of 0.01 and sigma for
terminal atoms of 0.02 within 2A
Uanis(O3A) \\sim Ueq: with sigma of 0.004 and sigma for terminal atoms of 0.008
Uanis(F38A) \\sim Ueq: with sigma of 0.002 and sigma for terminal atoms of 0.004
5. Others
 Sof(Al4)=1-FVAR(1)
 Sof(Al0K)=FVAR(1)
 Sof(Al1)=1-FVAR(2)
 Sof(Al)=FVAR(2)
 Sof(AgG)=1-FVAR(3)
 Sof(Ag1)=FVAR(3)
 Sof(F10A)=Sof(F14A)=Sof(F28A)=Sof(F38A)=Sof(F44A)=Sof(F58A)=Sof(C72A)=
 Sof(F5A)=Sof(O3A)=Sof(F27A)=Sof(F57A)=Sof(C53A)=Sof(C59A)=Sof(C65A)=1-FVAR(4)
 Sof(F10)=Sof(F14)=Sof(F28)=Sof(F38)=Sof(F44)=Sof(F58)=Sof(C72)=Sof(F5)=
 Sof(O3)=Sof(F27)=Sof(F57)=Sof(C53)=Sof(C59)=Sof(C65)=FVAR(4)
 Fixed Sof: Ag2(0.35) Fe2(0.83332) Fe3(0.61908) P12(0.83332) P18(0.83332)
 P20(0.83332) P13(0.61908) P7(0.83332) P15(0.83332) P2(0.61908) P17(0.61908)
 P9(0.61908) P19(0.61908) F1(0.57406) F4(0.57406) F6(0.5854) F8(0.57406)
 O1(0.61482) F12(0.64852) F16(0.61482) F18(0.57406) C24(0.5854) F20(0.64852)
 F22(0.61482) F24(0.64852) F26(0.64852) C30(0.64852) C32(0.83332) H32(0.83332)
 F30(0.5854) F32(0.57406) C36(0.57406) C38(0.83332) H38(0.83332) F34(0.63314)
 C40(0.83332) F36(0.50991) O4(0.5854) C48(0.83332) H48(0.83332) F40(0.63314)
 F42(0.50991) C50(0.83332) O6(0.64852) F46(0.63314) F48(0.5854) C56(0.61482)
 F50(0.57406) F52(0.57406) F54(0.63314) F56(0.63314) F60(0.5854) F62(0.64852)
 C64(0.65563) F64(0.63314) C66(0.50991) F66(0.61482) F68(0.64852) C70(0.61908)
 F70(0.64852) C76(0.64852) F72(0.57406) C78(0.63314) F9(0.64852) F37(0.5854)
 F19(0.61482) F39(0.50991) F41(0.61482) O8(0.65563) F21(0.63314) C85(0.61908)
 F43(0.65563) O2(0.50991) F11(0.63314) F45(0.65563) O5(0.57406) F23(0.63314)
 F47(0.5854) C23(0.61908) F3(0.64852) F49(0.50991) F25(0.5854) C3(0.64852)
 F51(0.57406) C25(0.5854) F13(0.65563) C51(0.61908) H51(0.61908) F53(0.61482)
 O7(0.63314) F55(0.50991) F7(0.50991) F29(0.61482) F59(0.50991) C55(0.61482)
 C7(0.5854) C57(0.57406) C29(0.65563) C15(0.50991) F15(0.65563) F61(0.5854)
 F31(0.61482) C63(0.61908) H63(0.61908) F63(0.5854) C2(0.61482) F2(0.65563)
 C33(0.61908) H33(0.61908) C67(0.57406) F65(0.61482) F33(0.65563) C17(0.63314)
 C69(0.61908) H69A(0.61908) H69B(0.61908) H69C(0.61908) C35(0.63314)
 C71(0.64852) F67(0.65563) C9(0.63314) F17(0.65563) C73(0.50991) C37(0.65563)
 C75(0.61908) H75A(0.61908) H75B(0.61908) H75C(0.61908) C19(0.61908)
 H19A(0.61908) H19B(0.61908) H19C(0.61908) F69(0.65563) F35(0.50991)
 C77(0.5854) C39(0.61908) C79(0.61908) H79A(0.61908) H79B(0.61908)
 H79C(0.61908) C5(0.61908) H5A(0.61908) H5B(0.61908) H5C(0.61908) F71(0.50991)
 C81(0.50991) C41(0.61482) C83(0.61908) H83A(0.61908) H83B(0.61908)
 H83C(0.61908) C21(0.65563) Ag2A(0.42) Fe3A(0.38092) P13A(0.38092) P2A(0.38092)
 P17A(0.38092) P9A(0.38092) P19A(0.38092) C70A(0.38092) C85A(0.38092)
 C23A(0.38092) C51A(0.38092) H51A(0.38092) C63A(0.38092) H63A(0.38092)
 C33A(0.38092) C69A(0.38092) H69D(0.38092) H69E(0.38092) H69F(0.38092)
 C75A(0.38092) H75D(0.38092) H75E(0.38092) H75F(0.38092) C19A(0.38092)
 H19D(0.38092) H19E(0.38092) H19F(0.38092) C39A(0.38092) C79A(0.38092)
 H79D(0.38092) H79E(0.38092) H79F(0.38092) C5A(0.38092) H5AA(0.38092)
 H5AB(0.38092) H5AC(0.38092) C83A(0.38092) H83D(0.38092) H83E(0.38092)
 Fe2A(0.16668) P12A(0.16668) P18A(0.16668) P20A(0.16668) P7A(0.16668)
 P15A(0.16668) F1A(0.42594) F4A(0.42594) F8A(0.42594) F18A(0.42594)
 F32A(0.42594) C36A(0.42594) F50A(0.42594) F52A(0.42594) F72A(0.42594)
 O5A(0.42594) F51A(0.42594) C57A(0.42594) C67A(0.42594) F6A(0.4146)
 C24A(0.4146) F30A(0.4146) O4A(0.4146) F48A(0.4146) F60A(0.4146) F37A(0.4146)
 F47A(0.4146) F25A(0.4146) C25A(0.4146) C7A(0.4146) F61A(0.4146) F63A(0.4146)
 C77A(0.4146) F36A(0.49009) F42A(0.49009) C66A(0.49009) F39A(0.49009)
 O2A(0.49009) F49A(0.49009) F55A(0.49009) F7A(0.49009) F59A(0.49009)
 C15A(0.49009) C73A(0.49009) F35A(0.49009) F71A(0.49009) C81A(0.49009)
 C64A(0.34437) O8A(0.34437) F43A(0.34437) F45A(0.34437) C29A(0.34437)
 F15A(0.34437) F2A(0.34437) F33A(0.34437) F67A(0.34437) F17A(0.34437)
 C37A(0.34437) F69A(0.34437) C21A(0.34437) F13A(0.34437) F34A(0.36686)
 F40A(0.36686) F46A(0.36686) F54A(0.36686) F56A(0.36686) F64A(0.36686)
 C78A(0.36686) F21A(0.36686) F11A(0.36686) F23A(0.36686) O7A(0.36686)
 C17A(0.36686) C35A(0.36686) C9A(0.36686) O1A(0.38518) F16A(0.38518)
 F22A(0.38518) C56A(0.38518) F66A(0.38518) F19A(0.38518) F41A(0.38518)
 F53A(0.38518) F29A(0.38518) C55A(0.38518) F31A(0.38518) C2A(0.38518)
 F65A(0.38518) C41A(0.38518) F12A(0.35148) F20A(0.35148) F24A(0.35148)
 F26A(0.35148) C30A(0.35148) O6A(0.35148) F62A(0.35148) F68A(0.35148)
 F70A(0.35148) C76A(0.35148) F9A(0.35148) F3A(0.35148) C3A(0.35148)
 C71A(0.35148) Ag3(0.11) C48A(0.16668) H48A(0.16668) C40A(0.16668)
 C32A(0.16668) H32A(0.16668) C38A(0.16668) H38A(0.16668) C50A(0.16668) Ag4(0.12)
6.a Ternary CH refined with riding coordinates:
 C51A(H51A), C63A(H63A)
6.b Secondary CH2 refined with riding coordinates:
 C83A(H83D,H83E)
6.c Aromatic/amide H refined with riding coordinates:
 C1(H1), C10(H10), C12(H12), C18(H18), C20(H20), C28(H28), C32(H32), C38(H38),
 C48(H48), C51(H51), C63(H63), C33(H33), C48A(H48A), C32A(H32A), C38A(H38A)
6.d Idealised Me refined as rotating group:
 C16(H16A,H16B,H16C), C26(H26A,H26B,H26C), C44(H44A,H44B,H44C), C46(H46A,H46B,
 H46C), C52(H52A,H52B,H52C), C58(H58A,H58B,H58C), C62(H62A,H62B,H62C), C68(H68A,
 H68B,H68C), C74(H74A,H74B,H74C), C82(H82A,H82B,H82C), C84(H84A,H84B,H84C),
 C43(H43A,H43B,H43C), C45(H45A,H45B,H45C), C47(H47A,H47B,H47C), C49(H49A,H49B,
 H49C), C13(H13A,H13B,H13C), C27(H27A,H27B,H27C), C31(H31A,H31B,H31C), C69(H69A,
 H69B,H69C), C75(H75A,H75B,H75C), C19(H19A,H19B,H19C), C79(H79A,H79B,H79C),
 C5(H5A,H5B,H5C), C83(H83A,H83B,H83C), C69A(H69D,H69E,H69F), C75A(H75D,H75E,
 H75F), C19A(H19D,H19E,H19F), C79A(H79D,H79E,H79F), C5A(H5AA,H5AB,H5AC)
;
_smtbx_masks_special_details
;
A solvent mask was calculated and 186 electrons were 
found in a volume of 475\%A^3^ in 1 void per unit cell. 
This is consistent with the presence of 
2[CH2Cl2] per Asymmetric Unit 
which account for 168 electrons 
per unit cell.
;
_smtbx_masks_void_probe_radius   1.4
_smtbx_masks_void_truncation_radius 1.2
_shelx_res_checksum              8333
_shelx_fab_checksum              34125
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.235
_oxdiff_exptl_absorpt_empirical_full_min 0.831