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_1576223
_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
'C41 H41 Ag2 Fe Mo4 O8 P9, 2(Al C16 F36 O4), 2[CH2Cl2], 1[C2H3N]'
_chemical_formula_sum            'C77 H48 Ag2 Al2 Cl4 F72 Fe Mo4 N O16 P9'
_chemical_formula_weight         3741.00
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2021-11-26
_audit_creation_method
;
Olex2 1.5-alpha
(compiled 2021.11.18 svn.ra9532c28 for OlexSys, GUI svn.r6429)
;
_audit_update_record
;
2025-06-22 deposited with the CCDC.	2025-10-27 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 107.9844(9)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   34.8753(3)
_cell_length_b                   23.6420(2)
_cell_length_c                   30.7178(3)
_cell_measurement_reflns_used    37757
_cell_measurement_temperature    100.01(10)
_cell_measurement_theta_max      74.0800
_cell_measurement_theta_min      2.4940
_cell_volume                     24090.0(4)
_computing_cell_refinement       'CrysAlisPro 1.171.41.118a (Rigaku OD, 2021)'
_computing_data_collection       'CrysAlisPro 1.171.41.118a (Rigaku OD, 2021)'
_computing_data_reduction        'CrysAlisPro 1.171.41.118a (Rigaku OD, 2021)'
_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  (Sheldrick, 2015)'
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.01(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 0.990
_diffrn_measured_fraction_theta_max 0.990
_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     30.00 100.00   0.50    2.00    --   64.78   0.00-180.00  140
  2  \w    -93.00 -25.00   0.50    2.00    --  -66.66 125.00-180.00  136
  3  \w    -93.00 -25.00   0.50    2.00    --  -66.66 125.00 120.00  136
  4  \w   -110.00 -38.00   0.50    2.00    --  -67.59 -15.00 -60.00  144
  5  \w   -110.00 -38.00   0.50    2.00    --  -67.59 -15.00   0.00  144
  6  \w     35.00 103.00   0.50    2.00    --   76.75-125.00   0.00  136
  7  \w     35.00 103.00   0.50    2.00    --   76.75-125.00 120.00  136
  8  \w     35.00 103.00   0.50    2.00    --   76.75-125.00 -90.00  136
  9  \w     35.00 103.00   0.50    2.00    --   76.75-125.00  30.00  136
 10  \w     35.00 103.00   0.50    2.00    --   76.75-125.00 -60.00  136
 11  \w     55.00 117.00   0.50    2.00    --   76.75  15.00 -60.00  124
 12  \w     65.00 112.00   0.50    2.00    --   76.75   0.00-150.00   94
;
_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      -0.0392545000
_diffrn_orient_matrix_UB_12      0.0121263000
_diffrn_orient_matrix_UB_13      0.0113689000
_diffrn_orient_matrix_UB_21      -0.0184324000
_diffrn_orient_matrix_UB_22      0.0266991000
_diffrn_orient_matrix_UB_23      -0.0476397000
_diffrn_orient_matrix_UB_31      -0.0166705000
_diffrn_orient_matrix_UB_32      -0.0581908000
_diffrn_orient_matrix_UB_33      -0.0194882000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0437
_diffrn_reflns_av_unetI/netI     0.0316
_diffrn_reflns_Laue_measured_fraction_full 0.990
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_limit_h_max       41
_diffrn_reflns_limit_h_min       -41
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            80533
_diffrn_reflns_point_group_measured_fraction_full 0.990
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_theta_full        66.601
_diffrn_reflns_theta_max         66.601
_diffrn_reflns_theta_min         2.295
_diffrn_source                   'Rotating-anode X-ray tube'
_diffrn_source_type              'Rigaku (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    10.460
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.179
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.41.118a (Rigaku Oxford Diffraction, 2021)
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 dark orange'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   dark
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    2.063
_exptl_crystal_description       plate
_exptl_crystal_F_000             14480
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.04
_refine_diff_density_max         2.089
_refine_diff_density_min         -0.861
_refine_diff_density_rms         0.178
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.081
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2307
_refine_ls_number_reflns         21065
_refine_ls_number_restraints     2389
_refine_ls_restrained_S_all      1.137
_refine_ls_R_factor_all          0.0951
_refine_ls_R_factor_gt           0.0832
_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/[\s^2^(Fo^2^)+(0.1703P)^2^+170.5935P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2479
_refine_ls_wR_factor_ref         0.2585
_reflns_Friedel_coverage         0.000
_reflns_number_gt                16872
_reflns_number_total             21065
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d5sc07723k2.cif
_cod_data_source_block           bm253_test_abs
_cod_original_cell_volume        24090.1(4)
_cod_database_code               1576223
_shelx_shelxl_version_number     2018/3
_chemical_oxdiff_formula         C76H41Ag2Cl4FeMo4O16P9Al2F64
_shelx_estimated_absorpt_t_max   0.680
_shelx_estimated_absorpt_t_min   0.197
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C55B-F34B
 2.4 with sigma of 0.04
 F32B-C55B
 2.4 with sigma of 0.04
 F71A-F70A
 2.25 with sigma of 0.04
 C17-C19 = C17-C20 = C18-C20 = C19-C16
 2.29 with sigma of 0.04
 F50B-C63 \\sim F49B-C63 \\sim F51B-C63 \\sim F53B-C63 \\sim F52B-C63 \\sim
F47B-C63 \\sim F46B-C63 ~
 F48-C63
 with sigma of 0.1
 F15A-C49A \\sim F13A-C49A \\sim F14A-C49A \\sim F11A-C48A \\sim F12A-C48A
\\sim F10A-C48A \\sim F18A-
 C50A \\sim F16A-C50A \\sim F17A-C50A
 with sigma of 0.02
 F15A-F13A \\sim F13A-F14A \\sim F14A-F15A \\sim F11A-F12A \\sim F12A-F10A
\\sim F10A-F11A \\sim F18A-
 F16A \\sim F16A-F17A \\sim F17A-F18A
 with sigma of 0.04
 F12B-F10B \\sim F10B-F11B \\sim F11B-F12B \\sim F17B-F18B \\sim F18B-F16B
\\sim F16B-F17B \\sim F15B-
 F13B \\sim F13B-F14B \\sim F14B-F15B
 with sigma of 0.04
 F15A-F13A \\sim F13A-F14A \\sim F14A-F15A
 with sigma of 0.02
 F36B-C58B \\sim F34B-C58B \\sim F35B-C58B \\sim F33B-C57B \\sim F31B-C57B
\\sim F32B-C57B \\sim F30B-
 C56B \\sim F28B-C56B \\sim F29B-C56B
 with sigma of 0.02
 F36B-F34B \\sim F34B-F35B \\sim F35B-F36B \\sim F33B-F31B \\sim F31B-F32B
\\sim F32B-F33B \\sim F30B-
 F28B \\sim F28B-F29B \\sim F29B-F30B
 with sigma of 0.04
 F12B-C48B \\sim F10B-C48B \\sim F11B-C48B \\sim F17B-C50B \\sim F18B-C50B
\\sim F16B-C50B \\sim F15B-
 C49B \\sim F13B-C49B \\sim F14B-C49B
 with sigma of 0.02
 F13A-F12A \\sim F13A-F10A
 with sigma of 0.04
 C49A-C48A \\sim C48A-C50A \\sim C49A-C50A
 with sigma of 0.04
 F36B-C55B \\sim F34B-C55B \\sim F35B-C55B \\sim F33B-C55B \\sim F31B-C55B
\\sim F32B-C55B \\sim F30B-
 C55B \\sim F28B-C55B \\sim F29B-C55B
 with sigma of 0.1
 C47A-C49A \\sim C47A-C48A \\sim C47A-C50A
 with sigma of 0.02
 O11A-C49A \\sim O11A-C48A \\sim O11A-C50A
 with sigma of 0.04
 F33A-F31A \\sim F31A-F32A \\sim F32A-F33A \\sim F29A-F30A \\sim F30A-F28A
\\sim F28A-F29A \\sim F35A-
 F36A \\sim F36A-F34A \\sim F34A-F35A
 with sigma of 0.04
 C47B-C48B \\sim C47B-C50B \\sim C47B-C49B
 with sigma of 0.02
 O11B-C48B \\sim O11B-C50B \\sim O11B-C49B
 with sigma of 0.04
 C48B-C50B \\sim C50B-C49B \\sim C48B-C49B
 with sigma of 0.04
 O9-C57A \\sim O9-C56A \\sim O9-C58A
 with sigma of 0.04
 F32B-F34B \\sim F32B-F35B
 with sigma of 0.02
 F33A-C57A \\sim F31A-C57A \\sim F32A-C57A \\sim F29A-C56A \\sim F30A-C56A
\\sim F28A-C56A \\sim F35A-
 C58A \\sim F36A-C58A \\sim F34A-C58A
 with sigma of 0.02
 F19A-C52A \\sim F20A-C52A \\sim F21A-C52A \\sim F26A-C54A \\sim F27A-C54A
\\sim F25A-C54A \\sim F24A-
 C53A \\sim F22A-C53A \\sim F23A-C53A
 with sigma of 0.02
 C57A-C56A \\sim C56A-C58A \\sim C57A-C58A
 with sigma of 0.04
 F6A-C45A \\sim F4A-C45A \\sim F5A-C45A \\sim F2A-C44A \\sim F3A-C44A \\sim
F1A-C44A \\sim F9A-C46A ~
 F7A-C46A \\sim F8A-C46A
 with sigma of 0.02
 C58B-C57B \\sim C57B-C56B \\sim C58B-C56B
 with sigma of 0.04
 C55B-C58B \\sim C55B-C57B \\sim C55B-C56B
 with sigma of 0.02
 C52A-C54A \\sim C54A-C53A \\sim C52A-C53A
 with sigma of 0.04
 F6A-F4A \\sim F4A-F5A \\sim F5A-F6A \\sim F2A-F3A \\sim F3A-F1A \\sim F1A-F2A
\\sim F9A-F7A \\sim F7A-F8A
 \\sim F8A-F9A
 with sigma of 0.04
 O12A-C52A \\sim O12A-C54A \\sim O12A-C53A
 with sigma of 0.04
 C45A-C44A \\sim C44A-C46A \\sim C45A-C46A
 with sigma of 0.04
 F19A-F20A \\sim F20A-F21A \\sim F21A-F19A \\sim F26A-F27A \\sim F27A-F25A
\\sim F25A-F26A \\sim F24A-
 F22A \\sim F22A-F23A \\sim F23A-F24A
 with sigma of 0.04
 O10A-C45A \\sim O10A-C44A \\sim O10A-C46A
 with sigma of 0.04
 C51A-C52A \\sim C51A-C54A \\sim C51A-C53A
 with sigma of 0.02
 C43A-C45A \\sim C43A-C44A \\sim C43A-C46A
 with sigma of 0.02
 F19A-C51A \\sim F20A-C51A \\sim F21A-C51A \\sim F26A-C51A \\sim F27A-C51A
\\sim F25A-C51A \\sim F24A-
 C51A \\sim F22A-C51A \\sim F23A-C51A
 with sigma of 0.1
 O10B-C44B \\sim O10B-C46B \\sim O10B-C45B
 with sigma of 0.04
 O12B-C54B \\sim O12B-C53B \\sim O12B-C52B
 with sigma of 0.04
 F3B-F1B \\sim F1B-F2B \\sim F2B-F3B \\sim F8B-F9B \\sim F9B-F7B \\sim F7B-F8B
\\sim F6B-F4B \\sim F4B-F5B
 \\sim F5B-F6B
 with sigma of 0.04
 F27B-C51B \\sim F25B-C51B \\sim F26B-C51B \\sim F22B-C51B \\sim F23B-C51B
\\sim F24B-C51B \\sim F21B-
 C51B \\sim F19B-C51B \\sim F20B-C51B
 with sigma of 0.1
 C43B-C44B \\sim C43B-C46B \\sim C43B-C45B
 with sigma of 0.02
 F3B-C44B \\sim F1B-C44B \\sim F2B-C44B \\sim F8B-C46B \\sim F9B-C46B \\sim
F7B-C46B \\sim F6B-C45B ~
 F4B-C45B \\sim F5B-C45B
 with sigma of 0.02
 C51B-C54B \\sim C51B-C53B \\sim C51B-C52B
 with sigma of 0.02
 C54B-C53B \\sim C53B-C52B \\sim C54B-C52B
 with sigma of 0.04
 C44B-C46B \\sim C46B-C45B \\sim C44B-C45B
 with sigma of 0.04
 F27B-F25B \\sim F25B-F26B \\sim F26B-F27B \\sim F22B-F23B \\sim F23B-F24B
\\sim F24B-F22B \\sim F21B-
 F19B \\sim F19B-F20B \\sim F20B-F21B
 with sigma of 0.04
 F27B-C54B \\sim F25B-C54B \\sim F26B-C54B \\sim F22B-C53B \\sim F23B-C53B
\\sim F24B-C53B \\sim F21B-
 C52B \\sim F19B-C52B \\sim F20B-C52B
 with sigma of 0.02
 F67A-C73A \\sim F68-C73A \\sim F66A-C73A \\sim F69-C74A \\sim F70A-C74A \\sim
F71A-C74A \\sim F65A-C72A
 with sigma of 0.02
 F50B-F49B \\sim F49B-F51B \\sim F51B-F50B \\sim F53B-F52B \\sim F47B-F46B
\\sim F46B-F48 \\sim F48-F47B
 with sigma of 0.04
 C72A-C73A \\sim C73A-C74A \\sim C74A-C72A
 with sigma of 0.02
 F70B-C74B \\sim F71B-C74B \\sim F64-C72B \\sim F65B-C72B \\sim F63-C72B \\sim
F67B-C73B \\sim F66B-C73B
 with sigma of 0.02
 O14-C65B \\sim O14-C66B \\sim O14-C64B
 with sigma of 0.04
 C63-C65B \\sim C63-C66B \\sim C63-C64B
 with sigma of 0.02
 C71-C73A \\sim C73B-C71 \\sim C71-C72A \\sim C72B-C71 \\sim C71-C74A \\sim
C74B-C71
 with sigma of 0.02
 F50B-C65B \\sim F49B-C65B \\sim F51B-C65B \\sim F53B-C66B \\sim F52B-C66B
\\sim F47B-C64B \\sim F46B-
 C64B \\sim F48-C64B
 with sigma of 0.02
 C71-C74B \\sim C71-C72B \\sim C71-C73B
 with sigma of 0.02
 C65B-C66B \\sim C66B-C64B \\sim C65B-C64B
 with sigma of 0.04
 F50A-F49A \\sim F49A-F51A \\sim F51A-F50A \\sim F52A-F1 \\sim F1-F53A \\sim
F53A-F52A \\sim F47A-F46A
 with sigma of 0.04
 C65A-C66A \\sim C66A-C64A \\sim C65A-C64A
 with sigma of 0.04
 F50A-C65A \\sim F49A-C65A \\sim F51A-C65A \\sim F52A-C66A \\sim F1-C66A \\sim
F53A-C66A \\sim F47A-
 C64A \\sim F46A-C64A
 with sigma of 0.02
 C63-C64A \\sim C63-C64B \\sim C63-C66A \\sim C63-C66B \\sim C63-C65A \\sim
C63-C65B
 with sigma of 0.02
 F53B-C66B \\sim F1-C66B \\sim F52B-C66B
 with sigma of 0.02
 Mo4A-C22 \\sim Mo4A-C21
 with sigma of 0.02
 C19-C16 \\sim C18-C20 \\sim C17-C20 \\sim C17-C19 \\sim C18-C16
 with sigma of 0.04
 C18-C19 \\sim C17-C18 \\sim C19-C20 \\sim C17-C16 \\sim C20-C16
 with sigma of 0.02
 C56B-C55B \\sim C55B-C56A \\sim C58B-C55B \\sim C55B-C58A \\sim C57B-C55B
\\sim C55B-C57A
 with sigma of 0.02
3. Restrained planarity
 C17, C18, C19, C20, C16
 with sigma of 0.1
4. Uiso/Uaniso restraints and constraints
F14A \\sim C49A \\sim F15A \\sim F13A: within 1.7A with sigma of 0.01 and sigma
for terminal atoms of 0.02 within 1.7A
C48A \\sim F11A \\sim F12A \\sim F10A: within 1.7A with sigma of 0.01 and sigma
for terminal atoms of 0.02 within 1.7A
F11B \\sim C48B \\sim F10B \\sim F12B: within 1.7A with sigma of 0.01 and sigma
for terminal atoms of 0.01 within 1.7A
F34B \\sim C58B \\sim F35B \\sim F36B: within 1.7A with sigma of 0.01 and sigma
for terminal atoms of 0.02 within 1.7A
Al1 \\sim O11B \\sim O11A \\sim C48A \\sim C47A \\sim C47B \\sim C49A \\sim
C48B \\sim C50A \\sim C49B \\sim C50B: within 2A with sigma of 0.01 and sigma
for terminal atoms of 0.02 within 2A
F13B \\sim C49B \\sim F14B \\sim F15B: within 1.7A with sigma of 0.01 and sigma
for terminal atoms of 0.02 within 1.7A
F33B \\sim C57B \\sim F32B \\sim F31B: within 1.7A with sigma of 0.01 and sigma
for terminal atoms of 0.02 within 1.7A
F18A \\sim C50A \\sim F17A \\sim F16A: within 1.7A with sigma of 0.01 and sigma
for terminal atoms of 0.02 within 1.7A
F17B \\sim C50B \\sim F16B \\sim F18B: within 1.7A with sigma of 0.01 and sigma
for terminal atoms of 0.02 within 1.7A
Al1 \\sim O10A \\sim O10B \\sim C43A \\sim C44B \\sim C43B \\sim C46A \\sim
C45B \\sim C44A \\sim C46B \\sim C45A: within 2A with sigma of 0.01 and sigma
for terminal atoms of 0.02 within 2A
F7A \\sim C46A \\sim F8A \\sim F9A: within 1.7A with sigma of 0.01 and sigma
for terminal atoms of 0.02 within 1.7A
C54A \\sim C53B \\sim C51B \\sim C51A \\sim C54B \\sim C53A \\sim C52A \\sim
C52B \\sim O12B \\sim O12A \\sim Al1: within 2A with sigma of 0.01 and sigma
for terminal atoms of 0.01 within 2A
F3A \\sim C44A \\sim F1A \\sim F2A: within 1.7A with sigma of 0.01 and sigma
for terminal atoms of 0.02 within 1.7A
C54B \\sim F25B \\sim F26B \\sim F27B: within 1.7A with sigma of 0.01 and sigma
for terminal atoms of 0.02 within 1.7A
F2B \\sim C44B \\sim F1B \\sim F3B: within 1.7A with sigma of 0.01 and sigma
for terminal atoms of 0.02 within 1.7A
C52A \\sim F21A \\sim F19A \\sim F20A: within 1.7A with sigma of 0.01 and sigma
for terminal atoms of 0.02 within 1.7A
F5B \\sim C45B \\sim F6B \\sim F4B: within 1.7A with sigma of 0.01 and sigma
for terminal atoms of 0.02 within 1.7A
F5A \\sim C45A \\sim F6A \\sim F4A: within 1.7A with sigma of 0.01 and sigma
for terminal atoms of 0.02 within 1.7A
C53A \\sim F24A \\sim F23A \\sim F22A: within 1.7A with sigma of 0.01 and sigma
for terminal atoms of 0.02 within 1.7A
F7B \\sim C46B \\sim F8B \\sim F9B: within 1.7A with sigma of 0.01 and sigma
for terminal atoms of 0.02 within 1.7A
C54A \\sim F25A \\sim F27A \\sim F26A: within 1.7A with sigma of 0.01 and sigma
for terminal atoms of 0.02 within 1.7A
F22B \\sim C53B \\sim F24B \\sim F23B: within 1.7A with sigma of 0.01 and sigma
for terminal atoms of 0.02 within 1.7A
F19B \\sim F21B \\sim C52B \\sim F20B: within 1.7A with sigma of 0.01 and sigma
for terminal atoms of 0.02 within 1.7A
Mo4A: within 3.2A with sigma of 0.01 and sigma for terminal atoms of 0.02
within 3.2A
F71A \\sim C74A \\sim F69 \\sim F71B \\sim F70A \\sim F70B \\sim C74B: within
1.7A with sigma of 0.01 and sigma for terminal atoms of 0.02 within 1.7A
F67A \\sim F66B \\sim C73B \\sim C73A: within 1.7A with sigma of 0.01 and sigma
for terminal atoms of 0.02 within 1.7A
C71 \\sim C72B \\sim C72A \\sim C73B \\sim C73A \\sim C74A \\sim C74B: within
1.7A with sigma of 0.01 and sigma for terminal atoms of 0.02 within 1.7A
F67B \\sim C73B: within 1.7A with sigma of 0.01 and sigma for terminal atoms of
0.02 within 1.7A
C66B \\sim C66A \\sim C63 \\sim C64A \\sim C64B \\sim C65B \\sim C65A: within
1.7A with sigma of 0.01 and sigma for terminal atoms of 0.02 within 1.7A
F50B \\sim F51B \\sim F50A \\sim F49B \\sim C65B \\sim F49A \\sim C65A \\sim
F51A: within 1.7A with sigma of 0.01 and sigma for terminal atoms of 0.02
within 1.7A
F53B \\sim C66B \\sim F52B \\sim F1 \\sim C66A \\sim F53A \\sim F52A: within
1.7A with sigma of 0.01 and sigma for terminal atoms of 0.02 within 1.7A
F47B \\sim C64B \\sim F48 \\sim C64A \\sim F46A \\sim F47A \\sim F46B: within
1.7A with sigma of 0.01 and sigma for terminal atoms of 0.02 within 1.7A
O5 \\sim C21 \\sim Mo4A \\sim C22 \\sim O6: within 2.2A with sigma of 0.01 and
sigma for terminal atoms of 0.02 within 2.2A
C21 \\sim O5 \\sim O6: within 2.5A with sigma of 0.01 and sigma for terminal
atoms of 0.01 within 2.5A
C17 \\sim C18 \\sim C19 \\sim C20 \\sim C16: within 1.7A with sigma of 0.01 and
sigma for terminal atoms of 0.02 within 1.7A
O9 \\sim Al1 \\sim C55B \\sim C56B \\sim C56A \\sim C57B \\sim C57A \\sim C58B
\\sim C58A: within 2A with sigma of 0.01 and sigma for terminal atoms of 0.01
within 2A
F35A \\sim C58A \\sim F36A \\sim F34A: within 1.7A with sigma of 0.01 and sigma
for terminal atoms of 0.02 within 1.7A
C57A \\sim F31A \\sim F32A \\sim F33A: within 1.7A with sigma of 0.01 and sigma
for terminal atoms of 0.02 within 1.7A
F30A \\sim F29A \\sim C56A \\sim F28A: within 1.7A with sigma of 0.01 and sigma
for terminal atoms of 0.02 within 1.7A
F30B \\sim C56B \\sim F28B \\sim F29B: within 1.7A with sigma of 0.01 and sigma
for terminal atoms of 0.02 within 1.7A
: with sigma of 0.01 and sigma for terminal atoms of 0.01
Uanis(Ag1C) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
Uanis(Ag2C) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
5. Others
 Sof(C58B)=Sof(F36B)=Sof(F34B)=Sof(F35B)=Sof(C57B)=Sof(F33B)=Sof(F31B)=
 Sof(F32B)=Sof(C56B)=Sof(F30B)=Sof(F28B)=Sof(F29B)=1-FVAR(1)
 Sof(C57A)=Sof(F33A)=Sof(F31A)=Sof(F32A)=Sof(C56A)=Sof(F29A)=Sof(F30A)=
 Sof(F28A)=Sof(C58A)=Sof(F35A)=Sof(F36A)=Sof(F34A)=FVAR(1)
 Fixed Sof: Ag2A(0.63) Ag1A(0.5) Mo4A(0.94) F65A(0.7) F67A(0.7) F70A(0.7)
 F71A(0.7) F66A(0.7) C72A(0.7) C73A(0.7) C74A(0.7) C65B(0.5) F50B(0.5)
 F49B(0.5) F51B(0.5) C66B(0.5) F53B(0.5) F52B(0.5) C64B(0.5) F47B(0.5)
 F46B(0.5) C65A(0.5) F50A(0.5) F49A(0.5) F51A(0.5) C66A(0.5) F52A(0.5)
 F53A(0.5) C64A(0.5) F47A(0.5) F46A(0.5) Ag1B(0.46) C74B(0.3) F70B(0.3)
 F71B(0.3) C72B(0.3) F65B(0.3) C73B(0.3) F67B(0.3) F66B(0.3) Ag2B(0.33)
 O10A(0.62) C43A(0.62) C45A(0.62) F6A(0.62) F4A(0.62) F5A(0.62) C44A(0.62)
 F2A(0.62) F3A(0.62) F1A(0.62) C46A(0.62) F9A(0.62) F7A(0.62) F8A(0.62)
 O10B(0.38) C43B(0.38) C44B(0.38) F3B(0.38) F1B(0.38) F2B(0.38) C46B(0.38)
 F8B(0.38) F9B(0.38) F7B(0.38) C45B(0.38) F6B(0.38) F4B(0.38) F5B(0.38)
 O11A(0.52) C47A(0.52) C49A(0.52) F15A(0.52) F13A(0.52) F14A(0.52) C48A(0.52)
 F11A(0.52) F12A(0.52) F10A(0.52) C50A(0.52) F18A(0.52) F16A(0.52) F17A(0.52)
 O12A(0.6) C51A(0.6) C52A(0.6) F19A(0.6) F20A(0.6) F21A(0.6) C54A(0.6)
 F26A(0.6) F27A(0.6) F25A(0.6) C53A(0.6) F24A(0.6) F22A(0.6) F23A(0.6)
 Ag1C(0.04) Mo4B(0.06) O12B(0.4) C51B(0.4) C54B(0.4) F27B(0.4) F25B(0.4)
 F26B(0.4) C53B(0.4) F22B(0.4) F23B(0.4) F24B(0.4) C52B(0.4) F21B(0.4)
 F19B(0.4) F20B(0.4) Ag2C(0.04) O11B(0.48) C47B(0.48) C48B(0.48) F12B(0.48)
 F10B(0.48) F11B(0.48) C50B(0.48) F17B(0.48) F18B(0.48) F16B(0.48) C49B(0.48)
 F15B(0.48) F13B(0.48) F14B(0.48)
6.a Aromatic/amide H refined with riding coordinates:
 C31(H31), C34(H34), C33(H33), C11(H11), C12(H12), C26(H26), C4(H4), C2(H2),
 C10(H10), C3(H3), C27(H27), C13(H13), C5(H5), C23(H23), C1(H1), C9(H9),
 C24(H24), C25(H25), C17(H17), C18(H18), C19(H19), C20(H20), C16(H16)
6.b Idealised Me refined as rotating group:
 C40(H40A,H40B,H40C), C36(H36A,H36B,H36C), C42(H42A,H42B,H42C), C38(H38A,H38B,
 H38C), C37(H37A,H37B,H37C), C41(H41A,H41B,H41C)
;
_smtbx_masks_special_details
;
A solvent mask was calculated and 920 electrons were 
found in a volume of 2660\%A^3^ in 1 void per unit cell. 
This is consistent with the presence of 
2[CH2Cl2], 1[C2H3N] per Asymmetric Unit 
which account for 848 electrons 
per unit cell.
;
_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_shelx_res_checksum              17096
_shelx_fab_checksum              30726
_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
- B-factor correction
;
_oxdiff_exptl_absorpt_empirical_full_max 4.905
_oxdiff_exptl_absorpt_empirical_full_min 0.370