#------------------------------------------------------------------------------
#$Date: 2025-04-05 06:00:01 +0300 (Sat, 05 Apr 2025) $
#$Revision: 298894 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/76/7717685.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_7717685
loop_
_publ_author_name
'Mibu, Takuto'
'Matsuoka, Ryota'
'Nagasaka, Masanari'
'Kusamoto, Tetsuro'
_publ_section_title
;
 Emission enhancement in a luminescent polychlorinated
 diphenylpyridylmethyl radical through coordination to silver(I).
;
_journal_issue                   6
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2265
_journal_page_last               2270
_journal_paper_doi               10.1039/d4dt03129f
_journal_volume                  54
_journal_year                    2025
_chemical_formula_moiety
'2(F3 Sb0.5), C31.572 H10.524 Ag0.919 Cl14.032 N1.754, C4.428 H1.476 Ag0.081 Cl1.968 N0.246'
_chemical_formula_sum            'C36 H12 Ag Cl16 F6 N2 Sb'
_chemical_formula_weight         1383.30
_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
_audit_creation_date             2023-12-10
_audit_creation_method
;
Olex2 1.5
(compiled 2023.08.24 svn.re1ec1418 for OlexSys, GUI svn.r6817)
;
_audit_update_record
;
2024-02-08 deposited with the CCDC.	2024-12-10 downloaded from the CCDC.
;
_cell_angle_alpha                110.462(2)
_cell_angle_beta                 92.463(2)
_cell_angle_gamma                106.895(2)
_cell_formula_units_Z            2
_cell_length_a                   11.6295(2)
_cell_length_b                   14.5514(3)
_cell_length_c                   15.1131(3)
_cell_measurement_reflns_used    19179
_cell_measurement_temperature    123.00
_cell_measurement_theta_max      31.4330
_cell_measurement_theta_min      2.5480
_cell_volume                     2262.72(9)
_computing_cell_refinement       'CrysAlisPro 1.171.39.43c (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.43c (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.43c (Rigaku OD, 2018)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      123.00
_diffrn_detector                 'CCD plate'
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -38.00  62.00   0.25    2.57    --  -11.26  75.00-163.00  400
  2  ω    -19.00  43.00   0.25    2.57    --  -11.26  57.00-180.00  248
  3  ω     -7.00  54.00   0.25    2.57    --   12.67  57.00   0.00  244
  4  ω      9.00  86.00   0.25    2.57    --   12.67  57.00  90.00  308
  5  ω     39.00  64.00   0.25    2.57    --   12.67 179.00 120.00  100
  6  ω    -89.00 -64.00   0.25    2.57    --  -11.26 179.00  60.00  100
  7  ω    -66.00  17.00   0.25    2.57    --  -11.26 -75.00  68.00  332
  8  ω     50.00  89.00   0.25    2.57    --   12.67-179.00  90.00  156
  9  ω    -87.00 -50.00   0.25    2.57    --  -11.26-179.00-150.00  148
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'ROD, Synergy Custom system, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0090706000
_diffrn_orient_matrix_UB_12      -0.0470417000
_diffrn_orient_matrix_UB_13      -0.0281845000
_diffrn_orient_matrix_UB_21      -0.0280019000
_diffrn_orient_matrix_UB_22      -0.0236049000
_diffrn_orient_matrix_UB_23      0.0309435000
_diffrn_orient_matrix_UB_31      -0.0574908000
_diffrn_orient_matrix_UB_32      -0.0161167000
_diffrn_orient_matrix_UB_33      -0.0287137000
_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  0.0333
_diffrn_reflns_av_unetI/netI     0.0416
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            31369
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.484
_diffrn_reflns_theta_min         2.523
_diffrn_source                   'Rotating-anode X-ray tube'
_diffrn_source_type              'Rigaku (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    2.033
_exptl_absorpt_correction_T_max  0.957
_exptl_absorpt_correction_T_min  0.347
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.43c (Rigaku Oxford Diffraction, 2018)
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            'dark red'
_exptl_crystal_colour_modifier   dark
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    2.030
_exptl_crystal_description       block
_exptl_crystal_F_000             1332
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: dichloromethane, diisopropyl ether'
_exptl_crystal_size_max          0.213
_exptl_crystal_size_mid          0.054
_exptl_crystal_size_min          0.04
_refine_diff_density_max         0.990
_refine_diff_density_min         -0.769
_refine_diff_density_rms         0.088
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.073
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     902
_refine_ls_number_reflns         10365
_refine_ls_number_restraints     270
_refine_ls_restrained_S_all      1.062
_refine_ls_R_factor_all          0.0415
_refine_ls_R_factor_gt           0.0309
_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)+(0.0262P)²+0.9722P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0678
_refine_ls_wR_factor_ref         0.0711
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8534
_reflns_number_total             10365
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d4dt03129f2.cif
_cod_data_source_block           tm144-dcm-diiso-rt_rename
_cod_depositor_comments          'Adding full bibliography for 7717685.cif.'
_cod_original_cell_volume        2262.72(8)
_cod_database_code               7717685
_shelx_shelxl_version_number     2018/3
_chemical_oxdiff_formula         'C H N O Sb F Ag Cl'
_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   0.923
_shelx_estimated_absorpt_t_min   0.671
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2. Restrained distances
 Ag1-N1 \\sim Ag1A-N1
 with sigma of 0.02
 Ag1-N2 \\sim Ag1A-N2
 with sigma of 0.02
 C25-C27 \\sim C25A-C27A
 with sigma of 0.04
 Cl16-C36 \\sim Cl4A-C36A
 with sigma of 0.02
 C19-Ag1A \\sim C19A-Ag1A
 with sigma of 0.04
 Cl15-C33 \\sim Cl6A-C33A
 with sigma of 0.04
 Ag1-N2 \\sim Ag1-N2A
 with sigma of 0.02
 C21-C25 \\sim C21A-C25A
 with sigma of 0.04
 Cl10-C22 \\sim Cl5A-C22A
 with sigma of 0.02
 C31-C35 \\sim C31A-C35A
 with sigma of 0.04
 Cl13-C30 \\sim Cl7A-C30A
 with sigma of 0.02
 Cl9-C20 \\sim Cl1A-C20A
 with sigma of 0.02
 C22-C20 \\sim C22A-C20A
 with sigma of 0.04
 C23-Ag1A \\sim C23A-Ag1A
 with sigma of 0.04
 Cl11-C26 \\sim Cl3A-C26A
 with sigma of 0.02
 C24-C36 \\sim C24A-C36A
 with sigma of 0.04
 Cl14-C32 \\sim Cl-C32A
 with sigma of 0.02
 C32-C34 \\sim C32A-C34A
 with sigma of 0.04
 Cl12-C28 \\sim Cl2A-C28A
 with sigma of 0.02
 C30-C26 \\sim C30A-C26A
 with sigma of 0.04
 Cl15-C34 \\sim Cl6A-C34A
 with sigma of 0.02
 Cl12-C27 \\sim Cl2A-C27A
 with sigma of 0.04
 N2-C19 \\sim N2A-C19A
 with sigma of 0.02
 C19-C21 \\sim C19A-C21A
 with sigma of 0.04
 N2-C23 \\sim N2A-C23A
 with sigma of 0.02
 N2-Ag1A \\sim N2A-Ag1A
 with sigma of 0.02
 C19-C20 \\sim C19A-C20A
 with sigma of 0.02
 C25-C31 \\sim C25A-C31A
 with sigma of 0.04
 C22-C21 \\sim C22A-C21A
 with sigma of 0.02
 C22-C23 \\sim C22A-C23A
 with sigma of 0.02
 C24-C26 \\sim C24A-C26A
 with sigma of 0.04
 C29-C27 \\sim C29A-C27A
 with sigma of 0.04
 C21-C20 \\sim C21A-C20A
 with sigma of 0.02
 C21-C24 \\sim C21A-C24A
 with sigma of 0.02
 C32-C36 \\sim C32A-C36A
 with sigma of 0.04
 C25-C24 \\sim C25A-C24A
 with sigma of 0.02
 C25-C30 \\sim C25A-C30A
 with sigma of 0.02
 C25-C26 \\sim C25A-C26A
 with sigma of 0.02
 Cl14-C33 \\sim Cl-C33A
 with sigma of 0.04
 C24-C31 \\sim C24A-C31A
 with sigma of 0.02
 Cl12-C29 \\sim Cl2A-C29A
 with sigma of 0.04
 C31-C36 \\sim C31A-C36A
 with sigma of 0.02
 Cl15-C35 \\sim Cl6A-C35A
 with sigma of 0.04
 N2-C22 \\sim N2A-C22A
 with sigma of 0.04
 C29-C30 \\sim C29A-C30A
 with sigma of 0.02
 N2-C20 \\sim N2A-C20A
 with sigma of 0.04
 C29-C28 \\sim C29A-C28A
 with sigma of 0.02
 C19-C23 \\sim C19A-C23A
 with sigma of 0.04
 C27-C28 \\sim C27A-C28A
 with sigma of 0.02
 C22-C24 \\sim C22A-C24A
 with sigma of 0.04
 C27-C26 \\sim C27A-C26A
 with sigma of 0.02
 C21-C23 \\sim C21A-C23A
 with sigma of 0.04
 C32-C33 \\sim C32A-C33A
 with sigma of 0.02
 C21-C31 \\sim C21A-C31A
 with sigma of 0.04
 C36-C35 \\sim C36A-C35A
 with sigma of 0.02
 C25-C29 \\sim C25A-C29A
 with sigma of 0.04
 C33-C34 \\sim C33A-C34A
 with sigma of 0.02
 C20-C24 \\sim C20A-C24A
 with sigma of 0.04
 C24-C32 \\sim C24A-C32A
 with sigma of 0.04
 C24-C30 \\sim C24A-C30A
 with sigma of 0.04
 C35-C34 \\sim C35A-C34A
 with sigma of 0.02
 C31-C33 \\sim C31A-C33A
 with sigma of 0.04
 Ag1-C19 \\sim Ag1-C19A
 with sigma of 0.04
 Ag1-C23 \\sim Ag1-C23A
 with sigma of 0.04
 Cl16-C31 \\sim Cl4A-C31A
 with sigma of 0.04
 Cl16-C35 \\sim Cl4A-C35A
 with sigma of 0.04
 Cl10-C21 \\sim Cl5A-C21A
 with sigma of 0.04
 Cl10-C23 \\sim Cl5A-C23A
 with sigma of 0.04
 C36-C34 \\sim C36A-C34A
 with sigma of 0.04
 C33-C35 \\sim C33A-C35A
 with sigma of 0.04
 Cl13-C25 \\sim Cl7A-C25A
 with sigma of 0.04
 C30-C28 \\sim C30A-C28A
 with sigma of 0.04
 Cl13-C29 \\sim Cl7A-C29A
 with sigma of 0.04
 Cl9-C19 \\sim Cl1A-C19A
 with sigma of 0.04
 C28-C26 \\sim C28A-C26A
 with sigma of 0.04
 Cl9-C21 \\sim Cl1A-C21A
 with sigma of 0.04
 Cl11-C25 \\sim Cl3A-C25A
 with sigma of 0.04
 Cl11-C27 \\sim Cl3A-C27A
 with sigma of 0.04
 C31-C32 \\sim C31A-C32A
 with sigma of 0.02
 Cl14-C31 \\sim Cl-C31A
 with sigma of 0.04
 C5-C1 \\sim C5A-C1A
 with sigma of 0.04
 Cl1-C2 \\sim Cl8A-C2A
 with sigma of 0.02
 C11-C9 \\sim C9A-C11A
 with sigma of 0.04
 Cl7-C16 \\sim Cl1B-C16A
 with sigma of 0.02
 N1-C2 \\sim N1A-C2A
 with sigma of 0.04
 C6-C4 \\sim C6A-C4A
 with sigma of 0.04
 Cl4-C10 \\sim Cl1C-C10A
 with sigma of 0.02
 C8-C10 \\sim C12A-C10A
 with sigma of 0.04
 Cl3-C12 \\sim Cl17-C8A
 with sigma of 0.02
 N1-C5 \\sim N1A-C5A
 with sigma of 0.02
 C7-C11 \\sim C7A-C9A
 with sigma of 0.04
 N1-C1 \\sim N1A-C1A
 with sigma of 0.02
 C1-Ag1A \\sim C1A-Ag1A
 with sigma of 0.04
 N1-Ag1A \\sim N1A-Ag1A
 with sigma of 0.02
 C6-C12 \\sim C6A-C8A
 with sigma of 0.04
 Ag1-N1 \\sim Ag1-N1A
 with sigma of 0.02
 C14-C16 \\sim C14A-C16A
 with sigma of 0.04
 Cl5-C8 \\sim Cl20-C12A
 with sigma of 0.02
 C7-C12 \\sim C7A-C8A
 with sigma of 0.02
 C5-C4 \\sim C5A-C4A
 with sigma of 0.02
 Cl4-C11 \\sim Cl1C-C9A
 with sigma of 0.04
 C1-C2 \\sim C1A-C2A
 with sigma of 0.02
 C7-C3 \\sim C7A-C3A
 with sigma of 0.04
 C3-C2 \\sim C3A-C2A
 with sigma of 0.02
 C3-C6 \\sim C3A-C6A
 with sigma of 0.02
 C5-Ag1A \\sim C5A-Ag1A
 with sigma of 0.04
 C3-C4 \\sim C3A-C4A
 with sigma of 0.02
 C2-C6 \\sim C2A-C6A
 with sigma of 0.04
 C6-C13 \\sim C6A-C13A
 with sigma of 0.02
 C6-C8 \\sim C6A-C12A
 with sigma of 0.04
 C13-C14 \\sim C13A-C14A
 with sigma of 0.02
 C13-C15 \\sim C13A-C15A
 with sigma of 0.04
 C13-C18 \\sim C13A-C18A
 with sigma of 0.02
 C11-C12 \\sim C9A-C8A
 with sigma of 0.02
 C11-C10 \\sim C9A-C10A
 with sigma of 0.02
 C17-C15 \\sim C17A-C15A
 with sigma of 0.04
 C9-C8 \\sim C11A-C12A
 with sigma of 0.02
 C9-C10 \\sim C11A-C10A
 with sigma of 0.02
 Cl8-C18 \\sim Cl9A-C18A
 with sigma of 0.02
 C14-C15 \\sim C14A-C15A
 with sigma of 0.02
 Cl2-C4 \\sim Cl18-C4A
 with sigma of 0.02
 Cl4-C9 \\sim Cl1C-C11A
 with sigma of 0.04
 C17-C18 \\sim C17A-C18A
 with sigma of 0.02
 N1-C4 \\sim N1A-C4A
 with sigma of 0.04
 C17-C16 \\sim C17A-C16A
 with sigma of 0.02
 C7-C9 \\sim C7A-C11A
 with sigma of 0.04
 C15-C16 \\sim C15A-C16A
 with sigma of 0.02
 C5-C3 \\sim C5A-C3A
 with sigma of 0.04
 C1-C3 \\sim C1A-C3A
 with sigma of 0.04
 C3-C13 \\sim C3A-C13A
 with sigma of 0.04
 Ag1-C5 \\sim Ag1-C5A
 with sigma of 0.04
 C2-C4 \\sim C2A-C4A
 with sigma of 0.04
 Ag1-C1 \\sim Ag1-C1A
 with sigma of 0.04
 C6-C14 \\sim C6A-C14A
 with sigma of 0.04
 Cl5-C7 \\sim Cl20-C7A
 with sigma of 0.04
 C6-C18 \\sim C6A-C18A
 with sigma of 0.04
 Cl5-C9 \\sim Cl20-C11A
 with sigma of 0.04
 C13-C17 \\sim C13A-C17A
 with sigma of 0.04
 Cl8-C13 \\sim Cl9A-C13A
 with sigma of 0.04
 Cl8-C17 \\sim Cl9A-C17A
 with sigma of 0.04
 C14-C18 \\sim C14A-C18A
 with sigma of 0.04
 Cl3-C7 \\sim Cl17-C7A
 with sigma of 0.04
 C8-C12 \\sim C12A-C8A
 with sigma of 0.04
 Cl3-C11 \\sim Cl17-C9A
 with sigma of 0.04
 Cl2-C5 \\sim Cl18-C5A
 with sigma of 0.04
 C18-C16 \\sim C18A-C16A
 with sigma of 0.04
 Cl2-C3 \\sim Cl18-C3A
 with sigma of 0.04
 C12-C10 \\sim C8A-C10A
 with sigma of 0.04
 Cl6-C13 \\sim Cl19-C13A
 with sigma of 0.04
 Cl6-C15 \\sim Cl19-C15A
 with sigma of 0.04
 Cl1-C1 \\sim Cl8A-C1A
 with sigma of 0.04
 Cl1-C3 \\sim Cl8A-C3A
 with sigma of 0.04
 Cl7-C17 \\sim Cl1B-C17A
 with sigma of 0.04
 Cl7-C15 \\sim Cl1B-C15A
 with sigma of 0.04
 Cl6-C14 \\sim Cl19-C14A
 with sigma of 0.02
 C7-C6 \\sim C7A-C6A
 with sigma of 0.02
 C7-C13 \\sim C7A-C13A
 with sigma of 0.04
 C7-C8 \\sim C7A-C12A
 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
F3A \\sim F3: within 2A with sigma of 0.04 and sigma for terminal atoms of 0.08
within 2A
F2A \\sim F2: within 2A with sigma of 0.04 and sigma for terminal atoms of 0.08
within 2A
Ag1A \\sim Ag1: within 2A with sigma of 0.04 and sigma for terminal atoms of
0.08 within 2A
F1A \\sim F1: within 2A with sigma of 0.04 and sigma for terminal atoms of 0.08
within 2A
Cl1A \\sim Cl9: within 2A with sigma of 0.04 and sigma for terminal atoms of
0.08 within 2A
Cl14 \\sim Cl: within 2A with sigma of 0.04 and sigma for terminal atoms of
0.08 within 2A
Cl2A \\sim Cl12: within 2A with sigma of 0.04 and sigma for terminal atoms of
0.08 within 2A
Cl15 \\sim Cl6A: within 2A with sigma of 0.04 and sigma for terminal atoms of
0.08 within 2A
Cl3A \\sim Cl11: within 2A with sigma of 0.04 and sigma for terminal atoms of
0.08 within 2A
Cl16 \\sim Cl4A: within 2A with sigma of 0.04 and sigma for terminal atoms of
0.08 within 2A
Cl13 \\sim Cl7A: within 2A with sigma of 0.04 and sigma for terminal atoms of
0.08 within 2A
Cl1 \\sim Cl8A: within 2A with sigma of 0.04 and sigma for terminal atoms of
0.08 within 2A
Cl19 \\sim Cl6: within 2A with sigma of 0.04 and sigma for terminal atoms of
0.08 within 2A
Cl2 \\sim Cl18: within 2A with sigma of 0.04 and sigma for terminal atoms of
0.08 within 2A
Cl17 \\sim Cl3: within 2A with sigma of 0.04 and sigma for terminal atoms of
0.08 within 2A
Cl1C \\sim Cl4: within 2A with sigma of 0.04 and sigma for terminal atoms of
0.08 within 2A
Cl9A \\sim Cl8: within 2A with sigma of 0.04 and sigma for terminal atoms of
0.08 within 2A
Cl1B \\sim Cl7: within 2A with sigma of 0.04 and sigma for terminal atoms of
0.08 within 2A
F5 \\sim F5A: within 2A with sigma of 0.04 and sigma for terminal atoms of 0.08
within 2A
F6 \\sim F6A: within 2A with sigma of 0.04 and sigma for terminal atoms of 0.08
within 2A
F4A \\sim F4: within 2A with sigma of 0.04 and sigma for terminal atoms of 0.08
within 2A
Uanis(Ag1A) = Uanis(Ag1)
Uanis(F3) = Uanis(F3A)
Uanis(F1) = Uanis(F1A)
Uanis(F2) = Uanis(F2A)
4. Others
 Sof(Ag1A)=1-FVAR(1)
 Sof(Ag1)=FVAR(1)
 Sof(Cl4A)=Sof(Cl5A)=Sof(Cl7A)=Sof(Cl1A)=Sof(Cl3A)=Sof(Cl)=Sof(Cl2A)=Sof(Cl6A)=
 Sof(N2A)=Sof(C19A)=Sof(H19A)=Sof(C22A)=Sof(C21A)=Sof(C23A)=Sof(H23A)=Sof(C25A)=
 Sof(C20A)=Sof(C24A)=Sof(C31A)=Sof(C29A)=Sof(H29A)=Sof(C27A)=Sof(H27A)=
 Sof(C32A)=Sof(C36A)=Sof(C33A)=Sof(H33A)=Sof(C30A)=Sof(C28A)=Sof(C35A)=
 Sof(H35A)=Sof(C26A)=Sof(C34A)=1-FVAR(2)
 Sof(Cl16)=Sof(Cl10)=Sof(Cl13)=Sof(Cl9)=Sof(Cl11)=Sof(Cl14)=Sof(Cl12)=
 Sof(Cl15)=Sof(N2)=Sof(C19)=Sof(H19)=Sof(C22)=Sof(C21)=Sof(C23)=Sof(H23)=
 Sof(C25)=Sof(C20)=Sof(C24)=Sof(C31)=Sof(C29)=Sof(H29)=Sof(C27)=Sof(H27)=
 Sof(C32)=Sof(C36)=Sof(C33)=Sof(H33)=Sof(C30)=Sof(C28)=Sof(C35)=Sof(H35)=
 Sof(C26)=Sof(C34)=FVAR(2)
 Sof(Cl20)=Sof(Cl9A)=Sof(Cl17)=Sof(Cl18)=Sof(Cl19)=Sof(Cl8A)=Sof(Cl1B)=
 Sof(Cl1C)=Sof(N1A)=Sof(C7A)=Sof(C5A)=Sof(H5A)=Sof(C1A)=Sof(H1A)=Sof(C3A)=
 Sof(C2A)=Sof(C6A)=Sof(C4A)=Sof(C13A)=Sof(C9A)=Sof(H9A)=Sof(C11A)=Sof(H11A)=
 Sof(C14A)=Sof(C12A)=Sof(C17A)=Sof(H17A)=Sof(C18A)=Sof(C8A)=Sof(C15A)=Sof(H15A)=
 Sof(C10A)=Sof(C16A)=1-FVAR(3)
 Sof(Cl5)=Sof(Cl8)=Sof(Cl3)=Sof(Cl2)=Sof(Cl6)=Sof(Cl1)=Sof(Cl7)=Sof(Cl4)=
 Sof(N1)=Sof(C7)=Sof(C5)=Sof(H5)=Sof(C1)=Sof(H1)=Sof(C3)=Sof(C2)=Sof(C6)=
 Sof(C4)=Sof(C13)=Sof(C11)=Sof(H11)=Sof(C9)=Sof(H9)=Sof(C14)=Sof(C8)=Sof(C17)=
 Sof(H17)=Sof(C18)=Sof(C12)=Sof(C15)=Sof(H15)=Sof(C10)=Sof(C16)=FVAR(3)
 Sof(F4)=Sof(F5)=Sof(F6)=1-FVAR(4)
 Sof(F6A)=Sof(F4A)=Sof(F5A)=FVAR(4)
 Sof(F2A)=Sof(F1A)=Sof(F3A)=1-FVAR(5)
 Sof(F3)=Sof(F1)=Sof(F2)=FVAR(5)
5.a Aromatic/amide H refined with riding coordinates:
 C19(H19), C5(H5), C23(H23), C1(H1), C11(H11), C29(H29), C9(H9), C27(H27),
 C17(H17), C33(H33), C15(H15), C35(H35), C19A(H19A), C23A(H23A), C29A(H29A),
 C27A(H27A), C33A(H33A), C35A(H35A), C5A(H5A), C1A(H1A), C9A(H9A), C11A(H11A),
 C17A(H17A), C15A(H15A)
;
_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 1.746
_oxdiff_exptl_absorpt_empirical_full_min 0.583
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
Sb1 Sb 1.000000 0.000000 0.000000 0.02360(7) Uani 1 2 d S . P . .
Sb2 Sb 0.500000 0.500000 0.500000 0.02466(7) Uani 1 2 d S . P . .
Ag1 Ag 0.25976(2) 0.24988(2) 0.22843(3) 0.02775(10) Uani 0.9194(11) 1 d . U P A
1
Cl5 Cl 0.75805(14) -0.13354(10) 0.16295(10) 0.0240(3) Uani 0.891(5) 1 d D . P A
1
Cl8 Cl 0.73026(17) 0.13466(14) 0.17021(13) 0.0276(3) Uani 0.891(5) 1 d D U P A 1
Cl3 Cl 0.40291(14) -0.07660(9) 0.38055(9) 0.0250(3) Uani 0.891(5) 1 d D U P A 1
Cl16 Cl -0.19545(13) 0.57272(11) 0.05390(10) 0.0242(3) Uani 0.863(6) 1 d D U P A
1
Cl2 Cl 0.61674(18) 0.19867(15) 0.44961(13) 0.0298(3) Uani 0.891(5) 1 d D U P A 1
Cl10 Cl -0.1034(2) 0.3298(2) 0.04042(18) 0.0320(4) Uani 0.863(6) 1 d D . P A 1
Cl6 Cl 0.75944(12) -0.02029(11) 0.44964(8) 0.0256(3) Uani 0.891(5) 1 d D U P A 1
Cl13 Cl -0.20617(17) 0.67368(13) 0.34077(13) 0.0277(3) Uani 0.863(6) 1 d D U P A
1
Cl9 Cl 0.1215(2) 0.61090(18) 0.39911(19) 0.0309(4) Uani 0.863(6) 1 d D U P A 1
Cl11 Cl 0.16606(14) 0.61423(11) 0.14271(11) 0.0250(3) Uani 0.863(6) 1 d D U P A
1
Cl1 Cl 0.4306(2) -0.09983(17) 0.09119(15) 0.0355(4) Uani 0.891(5) 1 d D U P A 1
Cl14 Cl -0.2040(3) 0.4043(2) 0.3247(2) 0.0302(4) Uani 0.863(6) 1 d D U P A 1
Cl12 Cl 0.12593(18) 0.99018(12) 0.29906(12) 0.0377(4) Uani 0.863(6) 1 d D U P A
1
Cl15 Cl -0.59261(13) 0.27675(13) 0.05658(12) 0.0380(4) Uani 0.863(6) 1 d D U P A
1
Cl7 Cl 1.13868(13) 0.27095(12) 0.41944(9) 0.0424(3) Uani 0.891(5) 1 d D U P A 1
Cl4 Cl 0.43917(16) -0.45252(11) 0.21299(15) 0.0480(4) Uani 0.891(5) 1 d D U P A
1
F6A F 0.4497(4) 0.4212(3) 0.3679(3) 0.0371(9) Uani 0.903(12) 1 d . U P B 2
F4A F 0.5967(3) 0.61289(17) 0.4760(2) 0.0449(10) Uani 0.903(12) 1 d . U P B 2
F5A F 0.6317(4) 0.4509(3) 0.4995(2) 0.0471(9) Uani 0.903(12) 1 d . U P B 2
F2A F 0.9856(3) 0.0597(2) 0.12748(16) 0.0591(8) Uani 0.897(3) 1 d . U P C 2
N1 N 0.3637(3) 0.1537(2) 0.2437(3) 0.0223(7) Uani 0.891(5) 1 d D . P A 1
N2 N 0.1624(3) 0.3539(2) 0.2230(3) 0.0193(7) Uani 0.863(6) 1 d D . P A 1
F1A F 1.1499(2) 0.1045(2) 0.02740(18) 0.0641(8) Uani 0.897(3) 1 d . U P C 2
F3A F 1.0776(3) -0.08339(19) 0.02858(17) 0.0710(9) Uani 0.897(3) 1 d . U P C 2
C19 C 0.1735(4) 0.4417(3) 0.2971(3) 0.0217(9) Uani 0.863(6) 1 d D . P A 1
H19 H 0.233869 0.463837 0.351331 0.026 Uiso 0.863(6) 1 calc R U P A 1
C22 C -0.0019(6) 0.3789(5) 0.1452(4) 0.0209(12) Uani 0.863(6) 1 d D . P A 1
C7 C 0.5755(4) -0.1093(3) 0.2660(2) 0.0192(7) Uani 0.891(5) 1 d D . P A 1
C5 C 0.4429(3) 0.1911(3) 0.3252(3) 0.0248(9) Uani 0.891(5) 1 d D . P A 1
H5 H 0.442882 0.252810 0.375062 0.030 Uiso 0.891(5) 1 calc R U P A 1
C21 C 0.0080(4) 0.4728(3) 0.2200(3) 0.0188(10) Uani 0.863(6) 1 d D . P A 1
C23 C 0.0756(4) 0.3235(3) 0.1478(4) 0.0206(9) Uani 0.863(6) 1 d D . P A 1
H23 H 0.067153 0.261691 0.094506 0.025 Uiso 0.863(6) 1 calc R U P A 1
C25 C -0.0190(4) 0.6463(3) 0.2408(2) 0.0182(7) Uani 0.863(6) 1 d D . P A 1
C1 C 0.3623(3) 0.0649(3) 0.1747(3) 0.0253(9) Uani 0.891(5) 1 d D . P A 1
H1 H 0.306845 0.037611 0.116630 0.030 Uiso 0.891(5) 1 calc R U P A 1
C20 C 0.0998(4) 0.5012(3) 0.2972(3) 0.0197(9) Uani 0.863(6) 1 d D . P A 1
C3 C 0.5280(4) 0.0509(3) 0.2690(2) 0.0193(9) Uani 0.891(5) 1 d D . P A 1
C2 C 0.4398(4) 0.0121(3) 0.1863(3) 0.0211(9) Uani 0.891(5) 1 d D . P A 1
C6 C 0.6162(4) 0.0009(3) 0.2828(2) 0.0190(7) Uani 0.891(5) 1 d D . P A 1
C4 C 0.5240(5) 0.1428(4) 0.3388(3) 0.0224(11) Uani 0.891(5) 1 d D . P A 1
C24 C -0.0696(4) 0.5355(3) 0.2171(3) 0.0187(8) Uani 0.863(6) 1 d D . P A 1
C31 C -0.2006(4) 0.4804(3) 0.1832(2) 0.0172(7) Uani 0.863(6) 1 d D . P A 1
C13 C 0.7448(3) 0.0643(3) 0.3139(2) 0.0195(7) Uani 0.891(5) 1 d D . P A 1
C11 C 0.4342(3) -0.2577(3) 0.2901(2) 0.0240(7) Uani 0.891(5) 1 d D . P A 1
H11 H 0.367567 -0.284688 0.318168 0.029 Uiso 0.891(5) 1 calc R U P A 1
C29 C -0.0336(4) 0.8214(3) 0.3105(2) 0.0233(8) Uani 0.863(6) 1 d D . P A 1
H29 H -0.074940 0.866327 0.345785 0.028 Uiso 0.863(6) 1 calc R U P A 1
C9 C 0.5926(3) -0.2827(3) 0.1955(2) 0.0232(7) Uani 0.891(5) 1 d D . P A 1
H9 H 0.632578 -0.327286 0.157706 0.028 Uiso 0.891(5) 1 calc R U P A 1
C27 C 0.1323(4) 0.7954(3) 0.2263(2) 0.0247(8) Uani 0.863(6) 1 d D . P A 1
H27 H 0.203664 0.822344 0.202831 0.030 Uiso 0.863(6) 1 calc R U P A 1
C14 C 0.8183(3) 0.0620(3) 0.3899(2) 0.0200(7) Uani 0.891(5) 1 d D . P A 1
C8 C 0.6334(4) -0.1782(3) 0.2128(2) 0.0196(7) Uani 0.891(5) 1 d D . P A 1
C32 C -0.2674(4) 0.4102(4) 0.2216(2) 0.0217(8) Uani 0.863(6) 1 d D . P A 1
C36 C -0.2653(3) 0.4876(3) 0.1062(2) 0.0188(7) Uani 0.863(6) 1 d D . P A 1
C17 C 0.9217(3) 0.1990(3) 0.3045(2) 0.0264(8) Uani 0.891(5) 1 d D . P A 1
H17 H 0.957343 0.246420 0.275386 0.032 Uiso 0.891(5) 1 calc R U P A 1
C18 C 0.8027(3) 0.1341(3) 0.2726(2) 0.0205(7) Uani 0.891(5) 1 d D . P A 1
C33 C -0.3875(3) 0.3481(3) 0.1844(2) 0.0254(8) Uani 0.863(6) 1 d D . P A 1
H33 H -0.430147 0.301831 0.212395 0.030 Uiso 0.863(6) 1 calc R U P A 1
C12 C 0.4743(4) -0.1541(3) 0.3043(2) 0.0207(7) Uani 0.891(5) 1 d D . P A 1
C30 C -0.0772(4) 0.7166(3) 0.2919(3) 0.0205(8) Uani 0.863(6) 1 d D . P A 1
C15 C 0.9370(3) 0.1253(3) 0.4229(2) 0.0243(7) Uani 0.891(5) 1 d D . P A 1
H15 H 0.983267 0.122144 0.474427 0.029 Uiso 0.891(5) 1 calc R U P A 1
C28 C 0.0709(4) 0.8600(3) 0.2773(3) 0.0261(8) Uani 0.863(6) 1 d D . P A 1
C35 C -0.3845(3) 0.4253(3) 0.0667(2) 0.0234(8) Uani 0.863(6) 1 d D . P A 1
H35 H -0.424623 0.430739 0.013548 0.028 Uiso 0.863(6) 1 calc R U P A 1
C10 C 0.4925(4) -0.3221(3) 0.2341(2) 0.0250(7) Uani 0.891(5) 1 d D . P A 1
C26 C 0.0879(4) 0.6914(3) 0.2103(2) 0.0204(8) Uani 0.863(6) 1 d D . P A 1
C34 C -0.4441(3) 0.3552(3) 0.1053(3) 0.0249(8) Uani 0.863(6) 1 d D . P A 1
C16 C 0.9883(3) 0.1939(3) 0.3798(2) 0.0268(8) Uani 0.891(5) 1 d D . P A 1
Ag1A Ag 0.2426(3) 0.2500(2) 0.2721(4) 0.02775(10) Uani 0.0806(11) 1 d . U P A 2
Cl4A Cl -0.2430(18) 0.5348(16) 0.0509(8) 0.067(4) Uani 0.137(6) 1 d D U P A 2
Cl5A Cl -0.113(2) 0.3071(18) 0.0484(15) 0.062(7) Uani 0.137(6) 1 d D . P A 2
Cl7A Cl -0.2448(15) 0.6412(15) 0.3325(11) 0.062(4) Uani 0.137(6) 1 d D U P A 2
Cl1A Cl 0.0843(19) 0.6017(15) 0.4074(14) 0.057(5) Uani 0.137(6) 1 d D U P A 2
Cl3A Cl 0.1133(18) 0.5852(12) 0.1212(9) 0.060(3) Uani 0.137(6) 1 d D U P A 2
Cl Cl -0.222(2) 0.3782(19) 0.3272(16) 0.053(5) Uani 0.137(6) 1 d D U P A 2
Cl2A Cl 0.0758(16) 0.9638(12) 0.2906(12) 0.076(4) Uani 0.137(6) 1 d D U P A 2
Cl6A Cl -0.6244(15) 0.2449(16) 0.0765(11) 0.089(5) Uani 0.137(6) 1 d D U P A 2
N2A N 0.145(2) 0.3492(17) 0.2506(15) 0.026(7) Uiso 0.137(6) 1 d D . P A 2
C19A C 0.151(3) 0.441(2) 0.315(2) 0.045(14) Uiso 0.137(6) 1 d D . P A 2
H19A H 0.214749 0.473469 0.368491 0.054 Uiso 0.137(6) 1 calc R U P A 2
C22A C -0.013(4) 0.365(3) 0.155(2) 0.032(16) Uiso 0.137(6) 1 d D . P A 2
C21A C -0.016(2) 0.4572(17) 0.2263(15) 0.016(8) Uiso 0.137(6) 1 d D . P A 2
C23A C 0.066(3) 0.316(2) 0.1691(18) 0.035(13) Uiso 0.137(6) 1 d D . P A 2
H23A H 0.064720 0.253745 0.118571 0.042 Uiso 0.137(6) 1 calc R U P A 2
C25A C -0.057(2) 0.6208(14) 0.2338(17) 0.021(8) Uiso 0.137(6) 1 d D . P A 2
C20A C 0.068(2) 0.4903(17) 0.3086(14) 0.024(9) Uiso 0.137(6) 1 d D . P A 2
C24A C -0.1020(17) 0.5110(15) 0.2155(18) 0.017(8) Uiso 0.137(6) 1 d D . P A 2
C31A C -0.2298(18) 0.4503(19) 0.1851(17) 0.021(8) Uiso 0.137(6) 1 d D . P A 2
C29A C -0.075(2) 0.7939(16) 0.3062(19) 0.025(7) Uiso 0.137(6) 1 d D . P A 2
H29A H -0.117675 0.837146 0.341305 0.030 Uiso 0.137(6) 1 calc R U P A 2
C27A C 0.087(3) 0.7705(16) 0.216(2) 0.052(12) Uiso 0.137(6) 1 d D . P A 2
H27A H 0.153416 0.797614 0.188665 0.062 Uiso 0.137(6) 1 calc R U P A 2
C32A C -0.294(2) 0.380(2) 0.225(2) 0.036(10) Uiso 0.137(6) 1 d D . P A 2
C36A C -0.301(2) 0.456(2) 0.1084(17) 0.033(8) Uiso 0.137(6) 1 d D . P A 2
C33A C -0.4135(18) 0.317(2) 0.1934(16) 0.025(7) Uiso 0.137(6) 1 d D . P A 2
H33A H -0.452329 0.271426 0.223798 0.030 Uiso 0.137(6) 1 calc R U P A 2
C30A C -0.113(2) 0.6912(15) 0.2899(18) 0.017(7) Uiso 0.137(6) 1 d D . P A 2
C28A C 0.027(2) 0.8351(15) 0.272(2) 0.033(9) Uiso 0.137(6) 1 d D . P A 2
C35A C -0.421(2) 0.393(3) 0.078(2) 0.049(12) Uiso 0.137(6) 1 d D . P A 2
H35A H -0.468288 0.399593 0.029120 0.059 Uiso 0.137(6) 1 calc R U P A 2
C26A C 0.047(2) 0.6661(15) 0.2026(19) 0.029(9) Uiso 0.137(6) 1 d D . P A 2
C34A C -0.474(2) 0.322(2) 0.1158(19) 0.044(10) Uiso 0.137(6) 1 d D . P A 2
Cl20 Cl 0.7163(15) -0.1662(16) 0.1598(11) 0.056(4) Uani 0.109(5) 1 d D . P A 2
Cl9A Cl 0.7049(17) 0.1041(18) 0.1737(14) 0.050(4) Uani 0.109(5) 1 d D U P A 2
Cl17 Cl 0.3475(18) -0.1084(14) 0.3598(10) 0.057(4) Uani 0.109(5) 1 d D U P A 2
Cl18 Cl 0.600(2) 0.174(2) 0.4579(16) 0.088(9) Uani 0.109(5) 1 d D U P A 2
Cl19 Cl 0.7072(18) -0.0627(14) 0.4435(7) 0.054(4) Uani 0.109(5) 1 d D U P A 2
Cl8A Cl 0.394(2) -0.1091(19) 0.1006(18) 0.072(8) Uani 0.109(5) 1 d D U P A 2
Cl1B Cl 1.1016(13) 0.2357(15) 0.4378(11) 0.072(5) Uani 0.109(5) 1 d D U P A 2
Cl1C Cl 0.387(2) -0.4804(14) 0.2041(13) 0.068(4) Uani 0.109(5) 1 d D U P A 2
N1A N 0.343(3) 0.149(2) 0.272(2) 0.050(13) Uiso 0.109(5) 1 d D . P A 2
C7A C 0.538(2) -0.1355(15) 0.2668(19) 0.012(7) Uiso 0.109(5) 1 d D . P A 2
C5A C 0.431(3) 0.183(2) 0.347(2) 0.024(11) Uiso 0.109(5) 1 d D . P A 2
H5A H 0.438900 0.244626 0.399935 0.029 Uiso 0.109(5) 1 calc R U P A 2
C1A C 0.339(2) 0.0627(19) 0.1984(17) 0.010(7) Uiso 0.109(5) 1 d D . P A 2
H1A H 0.283612 0.041853 0.141630 0.012 Uiso 0.109(5) 1 calc R U P A 2
C3A C 0.503(2) 0.0333(18) 0.2779(16) 0.013(9) Uiso 0.109(5) 1 d D . P A 2
C2A C 0.411(3) 0.002(2) 0.199(2) 0.041(16) Uiso 0.109(5) 1 d D . P A 2
C6A C 0.5849(19) -0.0272(16) 0.279(2) 0.018(9) Uiso 0.109(5) 1 d D . P A 2
C4A C 0.509(4) 0.128(3) 0.348(2) 0.035(19) Uiso 0.109(5) 1 d D . P A 2
C13A C 0.7130(19) 0.034(2) 0.3152(17) 0.013(7) Uiso 0.109(5) 1 d D . P A 2
C9A C 0.380(3) -0.2871(18) 0.276(2) 0.047(11) Uiso 0.109(5) 1 d D . P A 2
H9A H 0.309657 -0.313723 0.300777 0.056 Uiso 0.109(5) 1 calc R U P A 2
C11A C 0.545(3) -0.3092(17) 0.193(2) 0.023(8) Uiso 0.109(5) 1 d D . P A 2
H11A H 0.589212 -0.353458 0.162296 0.028 Uiso 0.109(5) 1 calc R U P A 2
C14A C 0.779(2) 0.026(2) 0.3930(18) 0.028(8) Uiso 0.109(5) 1 d D . P A 2
C12A C 0.589(3) -0.2070(17) 0.205(2) 0.035(11) Uiso 0.109(5) 1 d D . P A 2
C17A C 0.897(2) 0.167(3) 0.311(2) 0.044(13) Uiso 0.109(5) 1 d D . P A 2
H17A H 0.937734 0.214070 0.283299 0.053 Uiso 0.109(5) 1 calc R U P A 2
C18A C 0.779(2) 0.103(3) 0.277(2) 0.028(11) Uiso 0.109(5) 1 d D . P A 2
C8A C 0.426(3) -0.1832(18) 0.291(3) 0.056(14) Uiso 0.109(5) 1 d D . P A 2
C15A C 0.896(2) 0.089(2) 0.4287(19) 0.026(7) Uiso 0.109(5) 1 d D . P A 2
H15A H 0.936835 0.085563 0.482448 0.031 Uiso 0.109(5) 1 calc R U P A 2
C10A C 0.441(3) -0.3504(17) 0.223(3) 0.049(12) Uiso 0.109(5) 1 d D . P A 2
C16A C 0.9557(19) 0.157(2) 0.3895(18) 0.021(7) Uiso 0.109(5) 1 d D . P A 2
F4 F 0.649(3) 0.602(3) 0.524(4) 0.091(17) Uani 0.097(12) 1 d . U P B 1
F5 F 0.586(4) 0.426(4) 0.524(4) 0.082(14) Uani 0.097(12) 1 d . U P B 1
F6 F 0.500(5) 0.438(4) 0.373(3) 0.070(13) Uani 0.097(12) 1 d . U P B 1
F3 F 0.931(2) -0.1120(17) 0.0325(15) 0.0710(9) Uani 0.103(3) 1 d . U P C 1
F1 F 1.1631(17) 0.0194(19) 0.0014(16) 0.0641(8) Uani 0.103(3) 1 d . U P C 1
F2 F 1.050(3) 0.087(2) 0.1304(17) 0.0591(8) Uani 0.103(3) 1 d . U P C 1
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.5866 1.5461 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
8 10 -17 0.0172
-8 -10 17 0.0210
14 -8 -8 0.0170
-15 8 7 0.0306
-10 -8 -5 0.0759
11 6 6 0.1062
4 -19 13 0.0180
-3 20 -13 0.0157
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
_geom_angle_publ_flag
F2A Sb1 F2A 180.0 2_755 . ?
F2A Sb1 F1A 87.19(12) . . ?
F2A Sb1 F1A 92.81(12) 2_755 . ?
F2A Sb1 F3A 89.24(12) 2_755 . ?
F2A Sb1 F3A 90.76(12) . . ?
F2A Sb1 F2 157.6(8) . 2_755 ?
F2A Sb1 F2 22.4(8) 2_755 2_755 ?
F1A Sb1 F2 114.6(9) . 2_755 ?
F1A Sb1 F2 65.4(9) 2_755 2_755 ?
F3A Sb1 F1A 89.65(13) . . ?
F3A Sb1 F1A 90.35(13) 2_755 . ?
F3A Sb1 F3A 180.0 2_755 . ?
F3A Sb1 F2 85.6(9) 2_755 2_755 ?
F3A Sb1 F2 94.4(9) . 2_755 ?
F3 Sb1 F2A 76.3(7) 2_755 2_755 ?
F3 Sb1 F2A 103.7(7) . 2_755 ?
F3 Sb1 F1A 137.7(6) 2_755 2_755 ?
F3 Sb1 F1A 42.3(6) . 2_755 ?
F3 Sb1 F3A 127.3(7) . 2_755 ?
F3 Sb1 F3A 52.7(7) 2_755 2_755 ?
F3 Sb1 F3 180.0 2_755 . ?
F3 Sb1 F2 89.5(11) 2_755 . ?
F3 Sb1 F2 90.5(11) 2_755 2_755 ?
F3 Sb1 F2 90.5(11) . . ?
F3 Sb1 F2 89.5(11) . 2_755 ?
F1 Sb1 F2A 104.5(7) 2_755 2_755 ?
F1 Sb1 F2A 75.5(7) . 2_755 ?
F1 Sb1 F1A 38.5(8) 2_755 2_755 ?
F1 Sb1 F1A 141.5(8) . 2_755 ?
F1 Sb1 F3A 56.0(8) 2_755 2_755 ?
F1 Sb1 F3A 124.0(8) . 2_755 ?
F1 Sb1 F3 108.6(11) . . ?
F1 Sb1 F3 71.4(11) . 2_755 ?
F1 Sb1 F3 71.4(11) 2_755 . ?
F1 Sb1 F3 108.6(11) 2_755 2_755 ?
F1 Sb1 F1 180.0 2_755 . ?
F1 Sb1 F2 96.4(11) . 2_755 ?
F1 Sb1 F2 83.6(11) . . ?
F1 Sb1 F2 96.4(11) 2_755 . ?
F1 Sb1 F2 83.6(11) 2_755 2_755 ?
F2 Sb1 F2 180.0 2_755 . ?
F6A Sb2 F6A 180.0 2_666 . ?
F4A Sb2 F6A 88.78(14) 2_666 . ?
F4A Sb2 F6A 91.22(13) . . ?
F4A Sb2 F5A 89.86(13) 2_666 . ?
F4A Sb2 F5A 90.14(13) . . ?
F5A Sb2 F6A 90.71(15) . . ?
F5A Sb2 F6A 89.29(15) 2_666 . ?
F5A Sb2 F5A 180.0 2_666 . ?
F4 Sb2 F6A 68.5(15) . 2_666 ?
F4 Sb2 F6A 111.5(15) 2_666 2_666 ?
F4 Sb2 F4A 148(2) . 2_666 ?
F4 Sb2 F4A 32(2) 2_666 2_666 ?
F4 Sb2 F5A 66.8(17) 2_666 2_666 ?
F4 Sb2 F5A 113.2(17) . 2_666 ?
F4 Sb2 F4 180.0 . 2_666 ?
F5 Sb2 F6A 82.4(14) . 2_666 ?
F5 Sb2 F6A 97.6(14) 2_666 2_666 ?
F5 Sb2 F4A 112.2(18) 2_666 2_666 ?
F5 Sb2 F4A 67.8(18) . 2_666 ?
F5 Sb2 F5A 157(2) . 2_666 ?
F5 Sb2 F5A 23(2) 2_666 2_666 ?
F5 Sb2 F4 94.9(17) . 2_666 ?
F5 Sb2 F4 85.1(17) 2_666 2_666 ?
F5 Sb2 F4 85.1(17) . . ?
F5 Sb2 F4 94.9(17) 2_666 . ?
F5 Sb2 F5 179.999(15) . 2_666 ?
F5 Sb2 F6 90(2) . 2_666 ?
F5 Sb2 F6 90(2) 2_666 2_666 ?
F5 Sb2 F6 90(2) 2_666 . ?
F5 Sb2 F6 90(2) . . ?
F6 Sb2 F6A 163.0(18) . 2_666 ?
F6 Sb2 F6A 17.0(18) 2_666 2_666 ?
F6 Sb2 F4A 80.0(18) 2_666 2_666 ?
F6 Sb2 F4A 100.0(18) . 2_666 ?
F6 Sb2 F5A 78.0(16) 2_666 2_666 ?
F6 Sb2 F5A 102.0(16) . 2_666 ?
F6 Sb2 F4 84.2(17) . 2_666 ?
F6 Sb2 F4 84.2(17) 2_666 . ?
F6 Sb2 F4 95.8(17) 2_666 2_666 ?
F6 Sb2 F4 95.8(17) . . ?
F6 Sb2 F6 180.0 2_666 . ?
N2 Ag1 N1 175.98(12) . . ?
C5 N1 Ag1 116.8(2) . . ?
C1 N1 Ag1 124.6(2) . . ?
C1 N1 C5 118.4(3) . . ?
C19 N2 Ag1 122.6(2) . . ?
C23 N2 Ag1 118.8(2) . . ?
C23 N2 C19 118.0(3) . . ?
N2 C19 H19 119.0 . . ?
N2 C19 C20 122.1(3) . . ?
C20 C19 H19 119.0 . . ?
C21 C22 Cl10 122.6(3) . . ?
C23 C22 Cl10 115.2(3) . . ?
C23 C22 C21 122.0(3) . . ?
C8 C7 C6 123.1(3) . . ?
C8 C7 C12 115.3(3) . . ?
C12 C7 C6 121.5(3) . . ?
N1 C5 H5 118.9 . . ?
N1 C5 C4 122.2(3) . . ?
C4 C5 H5 118.9 . . ?
C22 C21 C24 123.1(3) . . ?
C20 C21 C22 113.7(3) . . ?
C20 C21 C24 123.3(3) . . ?
N2 C23 C22 122.2(3) . . ?
N2 C23 H23 118.9 . . ?
C22 C23 H23 118.9 . . ?
C30 C25 C24 122.4(4) . . ?
C26 C25 C24 122.7(3) . . ?
C26 C25 C30 114.8(4) . . ?
N1 C1 H1 119.3 . . ?
N1 C1 C2 121.5(3) . . ?
C2 C1 H1 119.3 . . ?
C19 C20 Cl9 117.1(3) . . ?
C19 C20 C21 122.0(3) . . ?
C21 C20 Cl9 120.8(3) . . ?
C2 C3 C6 124.2(3) . . ?
C4 C3 C2 113.9(3) . . ?
C4 C3 C6 121.9(3) . . ?
C1 C2 Cl1 116.7(3) . . ?
C1 C2 C3 122.0(3) . . ?
C3 C2 Cl1 121.1(2) . . ?
C7 C6 C3 120.2(4) . . ?
C7 C6 C13 121.4(3) . . ?
C13 C6 C3 118.4(3) . . ?
C5 C4 Cl2 116.5(3) . . ?
C5 C4 C3 122.0(3) . . ?
C3 C4 Cl2 121.5(3) . . ?
C21 C24 C31 117.3(4) . . ?
C25 C24 C21 121.6(4) . . ?
C25 C24 C31 121.0(3) . . ?
C32 C31 C24 121.2(3) . . ?
C32 C31 C36 115.5(3) . . ?
C36 C31 C24 123.1(4) . . ?
C14 C13 C6 122.5(3) . . ?
C18 C13 C6 122.1(3) . . ?
C18 C13 C14 115.3(3) . . ?
C12 C11 H11 120.5 . . ?
C12 C11 C10 118.9(3) . . ?
C10 C11 H11 120.5 . . ?
C30 C29 H29 120.5 . . ?
C28 C29 H29 120.5 . . ?
C28 C29 C30 118.9(3) . . ?
C8 C9 H9 120.4 . . ?
C8 C9 C10 119.2(3) . . ?
C10 C9 H9 120.4 . . ?
C28 C27 H27 120.6 . . ?
C26 C27 H27 120.6 . . ?
C26 C27 C28 118.8(4) . . ?
C13 C14 Cl6 121.0(3) . . ?
C15 C14 Cl6 116.1(2) . . ?
C15 C14 C13 122.8(3) . . ?
C7 C8 Cl5 120.0(3) . . ?
C9 C8 Cl5 117.2(2) . . ?
C9 C8 C7 122.7(4) . . ?
C31 C32 Cl14 120.2(3) . . ?
C33 C32 Cl14 116.8(4) . . ?
C33 C32 C31 122.9(3) . . ?
C31 C36 Cl16 120.4(3) . . ?
C35 C36 Cl16 116.9(3) . . ?
C35 C36 C31 122.6(4) . . ?
C18 C17 H17 120.6 . . ?
C18 C17 C16 118.8(4) . . ?
C16 C17 H17 120.6 . . ?
C13 C18 Cl8 120.4(3) . . ?
C17 C18 Cl8 116.3(3) . . ?
C17 C18 C13 123.1(3) . . ?
C32 C33 H33 120.7 . . ?
C32 C33 C34 118.6(4) . . ?
C34 C33 H33 120.7 . . ?
C7 C12 Cl3 120.4(2) . . ?
C11 C12 Cl3 116.5(3) . . ?
C11 C12 C7 122.8(3) . . ?
C25 C30 Cl13 120.2(3) . . ?
C29 C30 Cl13 116.6(3) . . ?
C29 C30 C25 123.1(4) . . ?
C14 C15 H15 120.5 . . ?
C14 C15 C16 119.0(3) . . ?
C16 C15 H15 120.5 . . ?
C29 C28 Cl12 119.6(3) . . ?
C29 C28 C27 121.0(4) . . ?
C27 C28 Cl12 119.4(4) . . ?
C36 C35 H35 120.4 . . ?
C34 C35 C36 119.2(3) . . ?
C34 C35 H35 120.4 . . ?
C11 C10 Cl4 118.9(3) . . ?
C11 C10 C9 120.9(3) . . ?
C9 C10 Cl4 120.2(2) . . ?
C25 C26 Cl11 120.1(3) . . ?
C27 C26 Cl11 116.4(3) . . ?
C27 C26 C25 123.4(3) . . ?
C33 C34 Cl15 119.3(3) . . ?
C35 C34 Cl15 119.7(3) . . ?
C35 C34 C33 121.0(3) . . ?
C17 C16 Cl7 120.2(3) . . ?
C17 C16 C15 121.0(3) . . ?
C15 C16 Cl7 118.8(2) . . ?
N1A Ag1A N2A 171.4(10) . . ?
C19A N2A Ag1A 124.9(15) . . ?
C19A N2A C23A 115.2(19) . . ?
C23A N2A Ag1A 119.7(15) . . ?
N2A C19A H19A 118.4 . . ?
N2A C19A C20A 123(2) . . ?
C20A C19A H19A 118.4 . . ?
C21A C22A Cl5A 120.9(16) . . ?
C23A C22A Cl5A 117.5(16) . . ?
C23A C22A C21A 121.5(17) . . ?
C22A C21A C24A 123.4(16) . . ?
C20A C21A C22A 112.8(14) . . ?
C20A C21A C24A 123.8(16) . . ?
N2A C23A C22A 124(2) . . ?
N2A C23A H23A 118.0 . . ?
C22A C23A H23A 118.0 . . ?
C30A C25A C24A 122.1(15) . . ?
C26A C25A C24A 122.7(15) . . ?
C26A C25A C30A 115.1(14) . . ?
C19A C20A Cl1A 114.6(15) . . ?
C19A C20A C21A 122.6(16) . . ?
C21A C20A Cl1A 122.7(15) . . ?
C25A C24A C21A 120.0(16) . . ?
C31A C24A C21A 117.7(16) . . ?
C31A C24A C25A 122.3(16) . . ?
C32A C31A C24A 124.2(15) . . ?
C32A C31A C36A 114.3(14) . . ?
C36A C31A C24A 121.4(16) . . ?
C30A C29A H29A 120.0 . . ?
C30A C29A C28A 120.1(17) . . ?
C28A C29A H29A 120.0 . . ?
C28A C27A H27A 120.5 . . ?
C26A C27A H27A 120.5 . . ?
C26A C27A C28A 118.9(18) . . ?
C31A C32A Cl 118.3(14) . . ?
C33A C32A Cl 116.1(15) . . ?
C33A C32A C31A 125.5(16) . . ?
C31A C36A Cl4A 122.2(14) . . ?
C35A C36A Cl4A 117.8(15) . . ?
C35A C36A C31A 119.9(16) . . ?
C32A C33A H33A 121.7 . . ?
C34A C33A C32A 116.7(17) . . ?
C34A C33A H33A 121.7 . . ?
C25A C30A Cl7A 118.3(13) . . ?
C29A C30A Cl7A 118.6(14) . . ?
C29A C30A C25A 123.0(16) . . ?
C29A C28A Cl2A 120.7(15) . . ?
C29A C28A C27A 119.9(16) . . ?
C27A C28A Cl2A 119.2(16) . . ?
C36A C35A H35A 119.0 . . ?
C34A C35A C36A 122.1(19) . . ?
C34A C35A H35A 119.0 . . ?
C25A C26A Cl3A 118.8(14) . . ?
C25A C26A C27A 122.6(16) . . ?
C27A C26A Cl3A 117.2(15) . . ?
C33A C34A Cl6A 117.6(16) . . ?
C35A C34A Cl6A 120.8(16) . . ?
C35A C34A C33A 121.2(17) . . ?
C5A N1A Ag1A 116.5(17) . . ?
C1A N1A Ag1A 126.7(17) . . ?
C1A N1A C5A 116(2) . . ?
C12A C7A C6A 118.7(17) . . ?
C8A C7A C6A 125.5(16) . . ?
C8A C7A C12A 113.9(15) . . ?
N1A C5A H5A 119.7 . . ?
N1A C5A C4A 121(2) . . ?
C4A C5A H5A 119.7 . . ?
N1A C1A H1A 117.6 . . ?
N1A C1A C2A 124.8(19) . . ?
C2A C1A H1A 117.6 . . ?
C2A C3A C6A 122.1(16) . . ?
C4A C3A C2A 111.8(15) . . ?
C4A C3A C6A 126.0(17) . . ?
C1A C2A Cl8A 119.8(17) . . ?
C1A C2A C3A 120.8(17) . . ?
C3A C2A Cl8A 119.3(16) . . ?
C7A C6A C3A 121.5(17) . . ?
C7A C6A C13A 121.9(17) . . ?
C13A C6A C3A 115.1(17) . . ?
C5A C4A Cl18 112.8(17) . . ?
C5A C4A C3A 125.4(19) . . ?
C3A C4A Cl18 120.7(18) . . ?
C14A C13A C6A 121.5(17) . . ?
C18A C13A C6A 122.6(16) . . ?
C18A C13A C14A 116.0(15) . . ?
C8A C9A H9A 121.8 . . ?
C8A C9A C10A 116.4(18) . . ?
C10A C9A H9A 121.8 . . ?
C12A C11A H11A 118.4 . . ?
C10A C11A H11A 118.4 . . ?
C10A C11A C12A 123.2(19) . . ?
C13A C14A Cl19 119.8(14) . . ?
C15A C14A Cl19 120.2(15) . . ?
C15A C14A C13A 120.0(17) . . ?
C7A C12A Cl20 121.7(15) . . ?
C11A C12A Cl20 118.6(16) . . ?
C11A C12A C7A 119.0(17) . . ?
C18A C17A H17A 121.9 . . ?
C18A C17A C16A 116.2(18) . . ?
C16A C17A H17A 121.9 . . ?
C13A C18A Cl9A 116.8(14) . . ?
C17A C18A Cl9A 118.3(16) . . ?
C17A C18A C13A 124.9(17) . . ?
C7A C8A Cl17 120.2(15) . . ?
C9A C8A Cl17 113.9(15) . . ?
C9A C8A C7A 125.2(17) . . ?
C14A C15A H15A 119.1 . . ?
C14A C15A C16A 121.9(18) . . ?
C16A C15A H15A 119.1 . . ?
C9A C10A Cl1C 117.7(17) . . ?
C11A C10A Cl1C 121.8(16) . . ?
C11A C10A C9A 120.3(18) . . ?
C17A C16A Cl1B 118.9(17) . . ?
C15A C16A Cl1B 120.2(16) . . ?
C15A C16A C17A 120.9(17) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Sb1 F2A 1.854(2) 2_755 ?
Sb1 F2A 1.854(2) . ?
Sb1 F1A 1.866(2) . ?
Sb1 F1A 1.866(2) 2_755 ?
Sb1 F3A 1.856(2) 2_755 ?
Sb1 F3A 1.856(2) . ?
Sb1 F3 1.84(3) 2_755 ?
Sb1 F3 1.84(3) . ?
Sb1 F1 1.83(2) 2_755 ?
Sb1 F1 1.83(2) . ?
Sb1 F2 1.89(2) 2_755 ?
Sb1 F2 1.89(2) . ?
Sb2 F6A 1.885(4) . ?
Sb2 F6A 1.885(4) 2_666 ?
Sb2 F4A 1.864(2) 2_666 ?
Sb2 F4A 1.864(2) . ?
Sb2 F5A 1.868(4) 2_666 ?
Sb2 F5A 1.868(4) . ?
Sb2 F4 1.84(3) . ?
Sb2 F4 1.84(3) 2_666 ?
Sb2 F5 1.78(4) 2_666 ?
Sb2 F5 1.78(5) . ?
Sb2 F6 1.81(4) 2_666 ?
Sb2 F6 1.81(4) . ?
Ag1 N1 2.158(2) . ?
Ag1 N2 2.157(3) . ?
Cl5 C8 1.727(4) . ?
Cl8 C18 1.733(3) . ?
Cl3 C12 1.734(3) . ?
Cl16 C36 1.725(4) . ?
Cl2 C4 1.735(3) . ?
Cl10 C22 1.724(3) . ?
Cl6 C14 1.746(4) . ?
Cl13 C30 1.749(5) . ?
Cl9 C20 1.731(3) . ?
Cl11 C26 1.733(3) . ?
Cl1 C2 1.725(3) . ?
Cl14 C32 1.735(4) . ?
Cl12 C28 1.716(4) . ?
Cl15 C34 1.727(4) . ?
Cl7 C16 1.725(3) . ?
Cl4 C10 1.721(4) . ?
N1 C5 1.343(4) . ?
N1 C1 1.342(4) . ?
N2 C19 1.340(5) . ?
N2 C23 1.340(4) . ?
C19 H19 0.9500 . ?
C19 C20 1.383(4) . ?
C22 C21 1.405(4) . ?
C22 C23 1.381(4) . ?
C7 C6 1.457(5) . ?
C7 C8 1.407(4) . ?
C7 C12 1.423(5) . ?
C5 H5 0.9500 . ?
C5 C4 1.377(4) . ?
C21 C20 1.404(4) . ?
C21 C24 1.468(4) . ?
C23 H23 0.9500 . ?
C25 C24 1.450(5) . ?
C25 C30 1.413(4) . ?
C25 C26 1.406(5) . ?
C1 H1 0.9500 . ?
C1 C2 1.384(4) . ?
C3 C2 1.412(4) . ?
C3 C6 1.465(4) . ?
C3 C4 1.399(4) . ?
C6 C13 1.465(5) . ?
C24 C31 1.470(5) . ?
C31 C32 1.406(6) . ?
C31 C36 1.410(4) . ?
C13 C14 1.417(4) . ?
C13 C18 1.399(6) . ?
C11 H11 0.9500 . ?
C11 C12 1.375(5) . ?
C11 C10 1.385(4) . ?
C29 H29 0.9500 . ?
C29 C30 1.378(5) . ?
C29 C28 1.378(6) . ?
C9 H9 0.9500 . ?
C9 C8 1.378(5) . ?
C9 C10 1.388(5) . ?
C27 H27 0.9500 . ?
C27 C28 1.385(4) . ?
C27 C26 1.376(5) . ?
C14 C15 1.373(5) . ?
C32 C33 1.389(5) . ?
C36 C35 1.385(5) . ?
C17 H17 0.9500 . ?
C17 C18 1.380(5) . ?
C17 C16 1.384(4) . ?
C33 H33 0.9500 . ?
C33 C34 1.389(5) . ?
C15 H15 0.9500 . ?
C15 C16 1.385(5) . ?
C35 H35 0.9500 . ?
C35 C34 1.380(6) . ?
Ag1A N2A 2.17(2) . ?
Ag1A N1A 2.12(3) . ?
Cl4A C36A 1.684(16) . ?
Cl5A C22A 1.728(16) . ?
Cl7A C30A 1.744(16) . ?
Cl1A C20A 1.733(16) . ?
Cl3A C26A 1.759(15) . ?
Cl C32A 1.740(16) . ?
Cl2A C28A 1.705(16) . ?
Cl6A C34A 1.726(16) . ?
N2A C19A 1.328(17) . ?
N2A C23A 1.352(17) . ?
C19A H19A 0.9500 . ?
C19A C20A 1.380(17) . ?
C22A C21A 1.410(16) . ?
C22A C23A 1.374(17) . ?
C21A C20A 1.395(16) . ?
C21A C24A 1.468(15) . ?
C23A H23A 0.9500 . ?
C25A C24A 1.448(16) . ?
C25A C30A 1.423(15) . ?
C25A C26A 1.387(16) . ?
C24A C31A 1.447(16) . ?
C31A C32A 1.408(17) . ?
C31A C36A 1.436(16) . ?
C29A H29A 0.9500 . ?
C29A C30A 1.356(16) . ?
C29A C28A 1.366(17) . ?
C27A H27A 0.9500 . ?
C27A C28A 1.399(17) . ?
C27A C26A 1.388(17) . ?
C32A C33A 1.380(17) . ?
C36A C35A 1.377(17) . ?
C33A H33A 0.9500 . ?
C33A C34A 1.377(17) . ?
C35A H35A 0.9500 . ?
C35A C34A 1.360(18) . ?
Cl20 C12A 1.696(17) . ?
Cl9A C18A 1.748(17) . ?
Cl17 C8A 1.726(17) . ?
Cl18 C4A 1.727(17) . ?
Cl19 C14A 1.753(17) . ?
Cl8A C2A 1.730(17) . ?
Cl1B C16A 1.703(16) . ?
Cl1C C10A 1.724(17) . ?
N1A C5A 1.343(18) . ?
N1A C1A 1.343(18) . ?
C7A C6A 1.449(16) . ?
C7A C12A 1.427(16) . ?
C7A C8A 1.409(17) . ?
C5A H5A 0.9500 . ?
C5A C4A 1.380(17) . ?
C1A H1A 0.9500 . ?
C1A C2A 1.379(17) . ?
C3A C2A 1.413(16) . ?
C3A C6A 1.477(16) . ?
C3A C4A 1.392(16) . ?
C6A C13A 1.460(16) . ?
C13A C14A 1.430(16) . ?
C13A C18A 1.389(17) . ?
C9A H9A 0.9500 . ?
C9A C8A 1.380(18) . ?
C9A C10A 1.382(18) . ?
C11A H11A 0.9500 . ?
C11A C12A 1.367(17) . ?
C11A C10A 1.355(18) . ?
C14A C15A 1.358(17) . ?
C17A H17A 0.9500 . ?
C17A C18A 1.377(18) . ?
C17A C16A 1.409(18) . ?
C15A H15A 0.9500 . ?
C15A C16A 1.366(18) . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Ag1 N1 C5 C4 -172.5(5) . . . . ?
Ag1 N1 C1 C2 173.9(4) . . . . ?
Ag1 N2 C19 C20 -171.9(4) . . . . ?
Ag1 N2 C23 C22 170.8(6) . . . . ?
Cl16 C36 C35 C34 179.4(3) . . . . ?
Cl10 C22 C21 C20 -177.4(5) . . . . ?
Cl10 C22 C21 C24 2.1(11) . . . . ?
Cl10 C22 C23 N2 177.6(5) . . . . ?
Cl6 C14 C15 C16 -178.7(3) . . . . ?
Cl14 C32 C33 C34 176.1(3) . . . . ?
N1 C5 C4 Cl2 -178.0(4) . . . . ?
N1 C5 C4 C3 -0.9(10) . . . . ?
N1 C1 C2 Cl1 -178.8(4) . . . . ?
N1 C1 C2 C3 -2.9(8) . . . . ?
N2 C19 C20 Cl9 178.3(4) . . . . ?
N2 C19 C20 C21 0.6(8) . . . . ?
C19 N2 C23 C22 -0.6(8) . . . . ?
C22 C21 C20 Cl9 -176.7(5) . . . . ?
C22 C21 C20 C19 0.9(8) . . . . ?
C22 C21 C24 C25 -131.7(6) . . . . ?
C22 C21 C24 C31 44.5(8) . . . . ?
C7 C6 C13 C14 -47.5(5) . . . . ?
C7 C6 C13 C18 134.6(4) . . . . ?
C5 N1 C1 C2 0.1(7) . . . . ?
C21 C22 C23 N2 2.2(12) . . . . ?
C21 C24 C31 C32 50.9(5) . . . . ?
C21 C24 C31 C36 -124.0(4) . . . . ?
C23 N2 C19 C20 -0.8(7) . . . . ?
C23 C22 C21 C20 -2.3(11) . . . . ?
C23 C22 C21 C24 177.2(6) . . . . ?
C25 C24 C31 C32 -132.9(4) . . . . ?
C25 C24 C31 C36 52.2(5) . . . . ?
C1 N1 C5 C4 1.8(8) . . . . ?
C20 C21 C24 C25 47.8(7) . . . . ?
C20 C21 C24 C31 -136.0(5) . . . . ?
C3 C6 C13 C14 132.2(4) . . . . ?
C3 C6 C13 C18 -45.6(5) . . . . ?
C2 C3 C6 C7 -49.9(6) . . . . ?
C2 C3 C6 C13 130.3(5) . . . . ?
C2 C3 C4 Cl2 175.2(5) . . . . ?
C2 C3 C4 C5 -1.8(9) . . . . ?
C6 C7 C8 Cl5 -0.5(5) . . . . ?
C6 C7 C8 C9 -178.5(3) . . . . ?
C6 C7 C12 Cl3 -5.1(4) . . . . ?
C6 C7 C12 C11 -179.7(3) . . . . ?
C6 C3 C2 Cl1 -1.1(7) . . . . ?
C6 C3 C2 C1 -176.8(5) . . . . ?
C6 C3 C4 Cl2 -4.4(9) . . . . ?
C6 C3 C4 C5 178.6(5) . . . . ?
C6 C13 C14 Cl6 1.6(4) . . . . ?
C6 C13 C14 C15 -176.4(3) . . . . ?
C6 C13 C18 Cl8 -9.6(5) . . . . ?
C6 C13 C18 C17 176.0(3) . . . . ?
C4 C3 C2 Cl1 179.3(5) . . . . ?
C4 C3 C2 C1 3.6(8) . . . . ?
C4 C3 C6 C7 129.6(5) . . . . ?
C4 C3 C6 C13 -50.1(7) . . . . ?
C24 C21 C20 Cl9 3.8(7) . . . . ?
C24 C21 C20 C19 -178.6(5) . . . . ?
C24 C25 C30 Cl13 7.3(5) . . . . ?
C24 C25 C30 C29 -176.5(3) . . . . ?
C24 C25 C26 Cl11 -0.9(5) . . . . ?
C24 C25 C26 C27 175.2(3) . . . . ?
C24 C31 C32 Cl14 11.9(5) . . . . ?
C24 C31 C32 C33 -172.6(3) . . . . ?
C24 C31 C36 Cl16 -6.1(5) . . . . ?
C24 C31 C36 C35 171.3(3) . . . . ?
C31 C32 C33 C34 0.4(6) . . . . ?
C31 C36 C35 C34 1.9(5) . . . . ?
C13 C14 C15 C16 -0.6(5) . . . . ?
C14 C13 C18 Cl8 172.4(3) . . . . ?
C14 C13 C18 C17 -2.0(5) . . . . ?
C14 C15 C16 Cl7 -178.3(3) . . . . ?
C14 C15 C16 C17 -0.1(5) . . . . ?
C8 C7 C6 C3 133.4(4) . . . . ?
C8 C7 C6 C13 -46.9(5) . . . . ?
C8 C7 C12 Cl3 174.0(2) . . . . ?
C8 C7 C12 C11 -0.6(5) . . . . ?
C8 C9 C10 Cl4 179.6(3) . . . . ?
C8 C9 C10 C11 -0.6(5) . . . . ?
C32 C31 C36 Cl16 178.6(3) . . . . ?
C32 C31 C36 C35 -3.9(5) . . . . ?
C32 C33 C34 Cl15 178.8(3) . . . . ?
C32 C33 C34 C35 -2.7(5) . . . . ?
C36 C31 C32 Cl14 -172.8(3) . . . . ?
C36 C31 C32 C33 2.8(5) . . . . ?
C36 C35 C34 Cl15 -179.9(3) . . . . ?
C36 C35 C34 C33 1.6(5) . . . . ?
C18 C13 C14 Cl6 179.6(3) . . . . ?
C18 C13 C14 C15 1.6(5) . . . . ?
C18 C17 C16 Cl7 178.0(3) . . . . ?
C18 C17 C16 C15 -0.2(6) . . . . ?
C12 C7 C6 C3 -47.6(5) . . . . ?
C12 C7 C6 C13 132.2(3) . . . . ?
C12 C7 C8 Cl5 -179.6(2) . . . . ?
C12 C7 C8 C9 2.4(5) . . . . ?
C12 C11 C10 Cl4 -177.9(3) . . . . ?
C12 C11 C10 C9 2.3(5) . . . . ?
C30 C25 C24 C21 -142.0(4) . . . . ?
C30 C25 C24 C31 41.9(5) . . . . ?
C30 C25 C26 Cl11 -177.4(3) . . . . ?
C30 C25 C26 C27 -1.4(5) . . . . ?
C30 C29 C28 Cl12 179.5(3) . . . . ?
C30 C29 C28 C27 -0.4(6) . . . . ?
C28 C29 C30 Cl13 177.1(3) . . . . ?
C28 C29 C30 C25 0.7(6) . . . . ?
C28 C27 C26 Cl11 178.0(3) . . . . ?
C28 C27 C26 C25 1.8(6) . . . . ?
C10 C11 C12 Cl3 -176.5(3) . . . . ?
C10 C11 C12 C7 -1.7(5) . . . . ?
C10 C9 C8 Cl5 -179.9(3) . . . . ?
C10 C9 C8 C7 -1.8(5) . . . . ?
C26 C25 C24 C21 41.7(5) . . . . ?
C26 C25 C24 C31 -134.4(4) . . . . ?
C26 C25 C30 Cl13 -176.2(3) . . . . ?
C26 C25 C30 C29 0.1(5) . . . . ?
C26 C27 C28 Cl12 179.3(3) . . . . ?
C26 C27 C28 C29 -0.9(6) . . . . ?
C16 C17 C18 Cl8 -173.3(3) . . . . ?
C16 C17 C18 C13 1.3(6) . . . . ?
Ag1A N2A C19A C20A -164(3) . . . . ?
Ag1A N2A C23A C22A 170(4) . . . . ?
Ag1A N1A C5A C4A -173(4) . . . . ?
Ag1A N1A C1A C2A 176(3) . . . . ?
Cl4A C36A C35A C34A 176(3) . . . . ?
Cl5A C22A C21A C20A 178(3) . . . . ?
Cl5A C22A C21A C24A -1(6) . . . . ?
Cl5A C22A C23A N2A -177(3) . . . . ?
Cl C32A C33A C34A 176(3) . . . . ?
N2A C19A C20A Cl1A 174(3) . . . . ?
N2A C19A C20A C21A -11(5) . . . . ?
C19A N2A C23A C22A -6(6) . . . . ?
C22A C21A C20A Cl1A 180(3) . . . . ?
C22A C21A C20A C19A 4(5) . . . . ?
C22A C21A C24A C25A -128(4) . . . . ?
C22A C21A C24A C31A 51(4) . . . . ?
C21A C22A C23A N2A 0(7) . . . . ?
C21A C24A C31A C32A 47(4) . . . . ?
C21A C24A C31A C36A -131(3) . . . . ?
C23A N2A C19A C20A 11(5) . . . . ?
C23A C22A C21A C20A 1(6) . . . . ?
C23A C22A C21A C24A -178(4) . . . . ?
C25A C24A C31A C32A -133(3) . . . . ?
C25A C24A C31A C36A 48(4) . . . . ?
C20A C21A C24A C25A 53(4) . . . . ?
C20A C21A C24A C31A -128(3) . . . . ?
C24A C21A C20A Cl1A -2(4) . . . . ?
C24A C21A C20A C19A -177(3) . . . . ?
C24A C25A C30A Cl7A -3(4) . . . . ?
C24A C25A C30A C29A -179(3) . . . . ?
C24A C25A C26A Cl3A 11(4) . . . . ?
C24A C25A C26A C27A 177(3) . . . . ?
C24A C31A C32A Cl 9(5) . . . . ?
C24A C31A C32A C33A -176(3) . . . . ?
C24A C31A C36A Cl4A -2(4) . . . . ?
C24A C31A C36A C35A 177(3) . . . . ?
C31A C32A C33A C34A 1(5) . . . . ?
C31A C36A C35A C34A -3(6) . . . . ?
C32A C31A C36A Cl4A 180(3) . . . . ?
C32A C31A C36A C35A -2(5) . . . . ?
C32A C33A C34A Cl6A -179(3) . . . . ?
C32A C33A C34A C35A -6(5) . . . . ?
C36A C31A C32A Cl -173(3) . . . . ?
C36A C31A C32A C33A 3(5) . . . . ?
C36A C35A C34A Cl6A 180(3) . . . . ?
C36A C35A C34A C33A 7(6) . . . . ?
C30A C25A C24A C21A -134(3) . . . . ?
C30A C25A C24A C31A 47(4) . . . . ?
C30A C25A C26A Cl3A -173(2) . . . . ?
C30A C25A C26A C27A -6(4) . . . . ?
C30A C29A C28A Cl2A 179(2) . . . . ?
C30A C29A C28A C27A 3(5) . . . . ?
C28A C29A C30A Cl7A -179(2) . . . . ?
C28A C29A C30A C25A -3(5) . . . . ?
C28A C27A C26A Cl3A 173(3) . . . . ?
C28A C27A C26A C25A 6(5) . . . . ?
C26A C25A C24A C21A 43(4) . . . . ?
C26A C25A C24A C31A -137(3) . . . . ?
C26A C25A C30A Cl7A -180(2) . . . . ?
C26A C25A C30A C29A 5(4) . . . . ?
C26A C27A C28A Cl2A 179(3) . . . . ?
C26A C27A C28A C29A -5(5) . . . . ?
Cl19 C14A C15A C16A 178(3) . . . . ?
N1A C5A C4A Cl18 -171(4) . . . . ?
N1A C5A C4A C3A -3(8) . . . . ?
N1A C1A C2A Cl8A 178(3) . . . . ?
N1A C1A C2A C3A -6(6) . . . . ?
C7A C6A C13A C14A -42(4) . . . . ?
C7A C6A C13A C18A 138(3) . . . . ?
C5A N1A C1A C2A 7(5) . . . . ?
C1A N1A C5A C4A -2(6) . . . . ?
C3A C6A C13A C14A 125(3) . . . . ?
C3A C6A C13A C18A -56(4) . . . . ?
C2A C3A C6A C7A -57(4) . . . . ?
C2A C3A C6A C13A 137(3) . . . . ?
C2A C3A C4A Cl18 171(4) . . . . ?
C2A C3A C4A C5A 4(7) . . . . ?
C6A C7A C12A Cl20 10(4) . . . . ?
C6A C7A C12A C11A 180(3) . . . . ?
C6A C7A C8A Cl17 -12(5) . . . . ?
C6A C7A C8A C9A 178(4) . . . . ?
C6A C3A C2A Cl8A -1(5) . . . . ?
C6A C3A C2A C1A -177(3) . . . . ?
C6A C3A C4A Cl18 -12(7) . . . . ?
C6A C3A C4A C5A -179(4) . . . . ?
C6A C13A C14A Cl19 3(4) . . . . ?
C6A C13A C14A C15A -176(3) . . . . ?
C6A C13A C18A Cl9A -6(5) . . . . ?
C6A C13A C18A C17A 176(4) . . . . ?
C4A C3A C2A Cl8A 176(4) . . . . ?
C4A C3A C2A C1A 0(6) . . . . ?
C4A C3A C6A C7A 127(4) . . . . ?
C4A C3A C6A C13A -40(5) . . . . ?
C13A C14A C15A C16A -3(5) . . . . ?
C14A C13A C18A Cl9A 174(3) . . . . ?
C14A C13A C18A C17A -4(6) . . . . ?
C14A C15A C16A Cl1B 179(3) . . . . ?
C14A C15A C16A C17A 1(5) . . . . ?
C12A C7A C6A C3A 136(3) . . . . ?
C12A C7A C6A C13A -58(4) . . . . ?
C12A C7A C8A Cl17 -176(3) . . . . ?
C12A C7A C8A C9A 14(6) . . . . ?
C12A C11A C10A Cl1C 179(3) . . . . ?
C12A C11A C10A C9A -6(6) . . . . ?
C18A C13A C14A Cl19 -177(3) . . . . ?
C18A C13A C14A C15A 4(5) . . . . ?
C18A C17A C16A Cl1B -178(3) . . . . ?
C18A C17A C16A C15A -1(6) . . . . ?
C8A C7A C6A C3A -28(5) . . . . ?
C8A C7A C6A C13A 138(3) . . . . ?
C8A C7A C12A Cl20 175(3) . . . . ?
C8A C7A C12A C11A -15(5) . . . . ?
C8A C9A C10A Cl1C 179(3) . . . . ?
C8A C9A C10A C11A 4(6) . . . . ?
C10A C9A C8A Cl17 -179(3) . . . . ?
C10A C9A C8A C7A -8(6) . . . . ?
C10A C11A C12A Cl20 -177(3) . . . . ?
C10A C11A C12A C7A 12(5) . . . . ?
C16A C17A C18A Cl9A -175(3) . . . . ?
C16A C17A C18A C13A 2(7) . . . . ?
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
7.8143 10.1412 -17.1789 0.0780 -0.9898 -0.1194
-7.5606 -10.2288 17.4123 -0.0782 0.9920 0.0995
14.4312 -8.3605 -8.3411 0.7593 -0.4649 -0.4554
-14.8374 8.3122 7.4860 -0.7366 0.4509 0.5041
-10.0000 -8.0000 -5.0000 0.4266 0.3141 0.8474
11.0000 6.0000 6.0000 -0.3516 -0.2640 -0.9014
4.0000 -19.0000 13.0000 0.5637 0.7388 -0.2970
-3.0000 20.0000 -13.0000 -0.6016 -0.7904 0.2234
