#------------------------------------------------------------------------------
#$Date: 2024-02-04 13:48:15 +0200 (Sun, 04 Feb 2024) $
#$Revision: 289476 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/48/7714880.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_7714880
loop_
_publ_author_name
'Stanković, Mia'
'Kljun, Jakob'
'Stevanović, Nevena Lj'
'Lazic, Jelena'
'Skaro Bogojevic, Sanja'
'Vojnovic, Sandra'
'Zlatar, Matija'
'Nikodinovic-Runic, Jasmina'
'Turel, Iztok'
'Djuran, Miloš I'
'Glišić, Biljana Đ'
_publ_section_title
;
 Silver(I) complexes containing antifungal azoles: significant improvement
 of the anti-Candida potential of the azole drug after its
 coordination to the silver(I) ion.
;
_journal_issue                   5
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2218
_journal_page_last               2230
_journal_paper_doi               10.1039/d3dt03010e
_journal_volume                  53
_journal_year                    2024
_chemical_formula_moiety         'F6 Sb, C32 H28 Ag F6 N10 O2'
_chemical_formula_sum            'C32 H28 Ag F12 N10 O2 Sb'
_chemical_formula_weight         1042.26
_space_group_crystal_system      triclinic
_space_group_IT_number           1
_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             2023-10-16
_audit_creation_method
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_audit_update_record
;
2023-10-17 deposited with the CCDC.	2023-12-05 downloaded from the CCDC.
;
_cell_angle_alpha                100.272(3)
_cell_angle_beta                 99.905(3)
_cell_angle_gamma                97.173(4)
_cell_formula_units_Z            1
_cell_length_a                   6.4313(3)
_cell_length_b                   9.8300(5)
_cell_length_c                   15.7404(5)
_cell_measurement_reflns_used    6822
_cell_measurement_temperature    150.00(10)
_cell_measurement_theta_max      29.0560
_cell_measurement_theta_min      3.0360
_cell_volume                     952.06(7)
_computing_cell_refinement       'CrysAlisPro 1.171.40.68a (Rigaku OD, 2019)'
_computing_data_collection       'CrysAlisPro 1.171.40.68a (Rigaku OD, 2019)'
_computing_data_reduction        'CrysAlisPro 1.171.40.68a (Rigaku OD, 2019)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (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      150.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 10.4933
_diffrn_detector_type            Atlas
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -44.00  21.00   1.00   11.11    --  -11.01  77.00   0.00   65
  2  ω    -15.00  30.00   1.00   11.11    --  -11.01 -99.00-120.00   45
  3  ω    -85.00  13.00   1.00   11.11    --  -11.01 -37.00  60.00   98
  4  ω    -35.00  63.00   1.00   11.11    --  -11.01  37.00-120.00   98
  5  ω    -15.00  52.00   1.00   11.11    --   10.78 -99.00 120.00   67
  6  ω    -85.00  -2.00   1.00   11.11    --  -11.01 -37.00 -90.00   83
  7  ω    -85.00  13.00   1.00   11.11    --  -11.01 -37.00-180.00   98
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0214407000
_diffrn_orient_matrix_UB_12      0.0696073000
_diffrn_orient_matrix_UB_13      0.0090938000
_diffrn_orient_matrix_UB_21      0.1082076000
_diffrn_orient_matrix_UB_22      0.0259310000
_diffrn_orient_matrix_UB_23      0.0003651000
_diffrn_orient_matrix_UB_31      -0.0264049000
_diffrn_orient_matrix_UB_32      -0.0014678000
_diffrn_orient_matrix_UB_33      -0.0458364000
_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  0.0355
_diffrn_reflns_av_unetI/netI     0.0577
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.980
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            14307
_diffrn_reflns_point_group_measured_fraction_full 0.961
_diffrn_reflns_point_group_measured_fraction_max 0.913
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.482
_diffrn_reflns_theta_min         2.684
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    1.328
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.91551
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.40.68a (Rigaku Oxford Diffraction, 2019)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.818
_exptl_crystal_description       plate
_exptl_crystal_F_000             512
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.025
_refine_diff_density_max         0.353
_refine_diff_density_min         -0.545
_refine_diff_density_rms         0.066
_refine_ls_abs_structure_details
;
 Flack x determined using 3083 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.032(14)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.994
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     527
_refine_ls_number_reflns         7998
_refine_ls_number_restraints     57
_refine_ls_restrained_S_all      0.992
_refine_ls_R_factor_all          0.0361
_refine_ls_R_factor_gt           0.0306
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0077P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0540
_refine_ls_wR_factor_ref         0.0562
_reflns_Friedel_coverage         0.863
_reflns_Friedel_fraction_full    0.923
_reflns_Friedel_fraction_max     0.846
_reflns_number_gt                7295
_reflns_number_total             7998
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3dt03010e2.cif
_cod_data_source_block           moc429
_cod_depositor_comments
'Adding full bibliography for 7714878--7714880.cif.'
_cod_original_cell_volume        952.05(7)
_cod_database_code               7714880
_shelx_shelxl_version_number     2018/3
_chemical_oxdiff_formula         'C16 F14 F9 N5 O1 Ag1 Sb1'
_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   0.968
_shelx_estimated_absorpt_t_min   0.879
_reflns_odcompleteness_completeness 99.92
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_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, All O(H) groups
2. Rigid body (RIGU) restrains
 C9A, C11A, N12A, C16A, F25A, C15A, N14A, C13A
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
3.a Ternary CH refined with riding coordinates:
 C10B(H10B), C9A(H9A)
3.b Secondary CH2 refined with riding coordinates:
 C6A(H6AA,H6AB), C6B(H6BA,H6BB)
3.c Aromatic/amide H refined with riding coordinates:
 C15B(H15B), C5A(H5A), C22A(H22A), C3B(H3B), C22B(H22B), C21B(H21B),
 C19A(H19A), C5B(H5B), C21A(H21A), C3A(H3A), C13B(H13B), C19B(H19B), C13A(H13A),
  C15A(H15A)
3.d Idealised Me refined as rotating group:
 C9B(H9BA,H9BB,H9BC), C10A(H10A,H10C,H10D)
3.e Idealised tetrahedral OH refined as rotating group:
 O8B(H8B), O8A(H8A)
;
_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 1.273
_oxdiff_exptl_absorpt_empirical_full_min 0.854
loop_
_space_group_symop_operation_xyz
'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
Sb1C Sb 0.96204(3) 0.90615(3) 0.13855(2) 0.02772(11) Uani 1 1 d . . . . .
Ag1 Ag 0.19461(5) 0.39943(4) 0.08732(2) 0.02856(12) Uani 1 1 d . . . . .
F6C F 1.2115(5) 0.8443(4) 0.1128(2) 0.0428(9) Uani 1 1 d . . . . .
N1B N 0.4924(8) 0.3126(6) 0.0638(3) 0.0256(11) Uani 1 1 d . . . . .
F7C F 0.8688(6) 0.8989(4) 0.01757(19) 0.0454(9) Uani 1 1 d . . . . .
O8B O 0.5487(6) -0.0343(5) -0.1260(3) 0.0233(9) Uani 1 1 d . . . . .
H8B H 0.561666 -0.103570 -0.102176 0.035 Uiso 1 1 calc R U . . .
N14A N 0.624(2) 1.3239(10) 0.3341(6) 0.120(4) Uani 1 1 d . . . . .
N2B N 0.5309(6) 0.1873(4) 0.0209(2) 0.0177(8) Uani 1 1 d . . . . .
F5C F 0.8314(6) 0.7194(4) 0.1222(3) 0.0606(11) Uani 1 1 d . . . . .
C16B C -0.0175(9) 0.6821(7) -0.1076(4) 0.0254(14) Uani 1 1 d . . . . .
F4C F 1.0607(6) 0.9152(5) 0.2580(2) 0.0525(11) Uani 1 1 d . . . . .
N14B N 0.1819(7) 0.5513(5) -0.0214(3) 0.0320(11) Uani 1 1 d . . . . .
N12B N 0.3542(7) 0.7445(5) -0.0685(3) 0.0251(9) Uani 1 1 d . . . . .
N12A N 0.7795(17) 1.1298(8) 0.3700(4) 0.090(3) Uani 1 1 d . . . . .
F24B F 0.0096(5) 0.1777(4) -0.1241(2) 0.0353(8) Uani 1 1 d . . . . .
C18B C 0.1691(9) 0.2089(6) -0.1682(3) 0.0268(12) Uani 1 1 d . . . . .
O8A O 0.7963(8) 0.8508(5) 0.3765(2) 0.0445(11) Uani 1 1 d . . . . .
H8A H 0.816891 0.921407 0.353935 0.067 Uiso 1 1 calc R U . . .
C15B C -0.0067(9) 0.5747(6) -0.0631(3) 0.0303(12) Uani 1 1 d . . . . .
H15B H -0.134499 0.515838 -0.061753 0.036 Uiso 1 1 calc R U . . .
C5A C 0.3780(9) 0.6732(6) 0.2520(3) 0.0328(13) Uani 1 1 d . . . . .
H5A H 0.454000 0.726851 0.219265 0.039 Uiso 1 1 calc R U . . .
F25B F -0.2090(5) 0.7021(4) -0.1490(2) 0.0331(8) Uani 1 1 d . . . . .
C10B C 0.1601(8) 0.8938(6) -0.1537(3) 0.0248(11) Uani 1 1 d . . . . .
H10B H 0.025701 0.932911 -0.147907 0.030 Uiso 1 1 calc R U . . .
C7A C 0.6662(10) 0.8769(6) 0.4395(3) 0.0336(13) Uani 1 1 d . . . . .
C22A C 0.8535(10) 0.6822(6) 0.4877(4) 0.0350(14) Uani 1 1 d . . . . .
H22A H 0.937899 0.691647 0.444543 0.042 Uiso 1 1 calc R U . . .
C6A C 0.4309(10) 0.8558(6) 0.3902(4) 0.0377(15) Uani 1 1 d . . . . .
H6AA H 0.338190 0.871087 0.434018 0.045 Uiso 1 1 calc R U . . .
H6AB H 0.415332 0.927043 0.353375 0.045 Uiso 1 1 calc R U . . .
N4A N 0.2774(8) 0.5445(5) 0.2220(3) 0.0369(12) Uani 1 1 d . . . . .
C20B C 0.3046(11) 0.3457(7) -0.2583(4) 0.0460(17) Uani 1 1 d . . . . .
N4B N -0.1571(6) 0.3206(4) 0.0642(3) 0.0250(9) Uani 1 1 d . . . . .
C9B C 0.1543(11) 0.8380(7) -0.2524(3) 0.0428(16) Uani 1 1 d . . . . .
H9BA H 0.141011 0.914358 -0.284387 0.064 Uiso 1 1 calc R U . . .
H9BB H 0.031600 0.763078 -0.276218 0.064 Uiso 1 1 calc R U . . .
H9BC H 0.286594 0.801224 -0.259133 0.064 Uiso 1 1 calc R U . . .
C11A C 0.6846(17) 1.1348(9) 0.4395(5) 0.056(2) Uani 1 1 d . . . . .
C18A C 0.5828(10) 0.7492(7) 0.5614(3) 0.0363(14) Uani 1 1 d . . . . .
N1A N 0.3588(8) 0.7184(5) 0.3350(3) 0.0318(11) Uani 1 1 d . . . . .
F25A F 0.4626(9) 1.2441(5) 0.5271(3) 0.0870(15) Uani 1 1 d . . . . .
F3C F 0.7083(7) 0.9651(6) 0.1594(3) 0.0591(14) Uani 1 1 d . . . . .
F23A F 0.8006(7) 0.4767(5) 0.6538(3) 0.0641(15) Uani 1 1 d . . . . .
C3B C 0.7403(8) 0.1949(6) 0.0236(3) 0.0248(11) Uani 1 1 d . . . . .
H3B H 0.806668 0.119924 -0.000373 0.030 Uiso 1 1 calc R U . . .
C22B C 0.4922(12) 0.1712(9) -0.2118(5) 0.0373(19) Uani 1 1 d . . . . .
H22B H 0.611440 0.122996 -0.211528 0.045 Uiso 1 1 calc R U . . .
C21B C 0.4779(12) 0.2773(10) -0.2585(5) 0.046(2) Uani 1 1 d . . . . .
H21B H 0.585404 0.302136 -0.290013 0.055 Uiso 1 1 calc R U . . .
F23B F 0.2878(7) 0.4501(5) -0.3045(3) 0.0704(13) Uani 1 1 d . . . . .
C17B C 0.3366(9) 0.1328(6) -0.1650(4) 0.0232(12) Uani 1 1 d . . . . .
F2C F 1.0889(6) 1.0922(4) 0.1509(2) 0.0455(9) Uani 1 1 d . . . . .
C9A C 0.7291(13) 1.0267(9) 0.4957(4) 0.045(2) Uani 1 1 d . . . . .
H9A H 0.637674 1.035888 0.541141 0.054 Uiso 1 1 calc R U . . .
C6B C 0.3598(7) 0.0683(5) -0.0160(3) 0.0195(10) Uani 1 1 d . . . . .
H6BA H 0.220842 0.097261 -0.008720 0.023 Uiso 1 1 calc R U . . .
H6BB H 0.381790 -0.007643 0.016599 0.023 Uiso 1 1 calc R U . . .
N2A N 0.2390(11) 0.6168(7) 0.3622(4) 0.0482(17) Uani 1 1 d . . . . .
C19A C 0.6100(13) 0.6523(11) 0.6143(6) 0.0431(18) Uani 1 1 d . . . . .
H19A H 0.526317 0.642351 0.657677 0.052 Uiso 1 1 calc R U . . .
C5B C 0.6862(9) 0.3885(6) 0.0893(4) 0.0288(12) Uani 1 1 d . . . . .
H5B H 0.712531 0.481978 0.122148 0.035 Uiso 1 1 calc R U . . .
C20A C 0.7651(11) 0.5710(7) 0.6008(4) 0.0435(16) Uani 1 1 d . . . . .
C21A C 0.8886(10) 0.5833(7) 0.5394(4) 0.0433(15) Uani 1 1 d . . . . .
H21A H 0.995404 0.526018 0.532194 0.052 Uiso 1 1 calc R U . . .
C3A C 0.1949(11) 0.5162(8) 0.2917(4) 0.0546(19) Uani 1 1 d . . . . .
H3A H 0.110379 0.428784 0.289702 0.066 Uiso 1 1 calc R U . . .
F24A F 0.4309(7) 0.8308(5) 0.5759(3) 0.0499(12) Uani 1 1 d . . . . .
C16A C 0.5550(16) 1.2354(8) 0.4574(5) 0.072(2) Uani 1 1 d . . . . .
C7B C 0.3535(8) 0.0127(6) -0.1150(3) 0.0222(11) Uani 1 1 d . . . . .
C17A C 0.6985(9) 0.7679(6) 0.4972(3) 0.0311(13) Uani 1 1 d . . . . .
C13B C 0.3514(9) 0.6372(6) -0.0276(3) 0.0284(12) Uani 1 1 d . . . . .
H13B H 0.486189 0.620446 0.000367 0.034 Uiso 1 1 calc R U . . .
C19B C 0.1466(9) 0.3143(6) -0.2145(3) 0.0338(13) Uani 1 1 d . . . . .
H19B H 0.027042 0.362232 -0.215789 0.041 Uiso 1 1 calc R U . . .
C11B C 0.1654(8) 0.7721(5) -0.1079(3) 0.0220(11) Uani 1 1 d . . . . .
C10A C 0.9602(12) 1.0585(8) 0.5436(4) 0.064(2) Uani 1 1 d . . . . .
H10A H 0.984804 0.994530 0.584078 0.097 Uiso 1 1 calc R U . . .
H10C H 0.991956 1.155377 0.576986 0.097 Uiso 1 1 calc R U . . .
H10D H 1.053668 1.046308 0.500667 0.097 Uiso 1 1 calc R U . . .
C13A C 0.741(3) 1.2258(11) 0.3195(6) 0.121(5) Uani 1 1 d . . . . .
H13A H 0.804769 1.221374 0.269142 0.145 Uiso 1 1 calc R U . . .
C15A C 0.530(2) 1.3314(9) 0.4040(6) 0.102(4) Uani 1 1 d . . . . .
H15A H 0.447205 1.402945 0.416824 0.122 Uiso 1 1 calc R U . . .
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'
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'
O O 0.0106 0.0060 '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_
_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
F6C Sb1C F7C 88.46(14) . . ?
F6C Sb1C F5C 89.56(18) . . ?
F6C Sb1C F2C 90.46(17) . . ?
F5C Sb1C F7C 89.18(17) . . ?
F4C Sb1C F6C 90.53(15) . . ?
F4C Sb1C F7C 178.64(19) . . ?
F4C Sb1C F5C 91.72(18) . . ?
F4C Sb1C F2C 90.17(17) . . ?
F3C Sb1C F6C 177.6(2) . . ?
F3C Sb1C F7C 89.30(18) . . ?
F3C Sb1C F5C 89.7(2) . . ?
F3C Sb1C F4C 91.72(18) . . ?
F3C Sb1C F2C 90.2(2) . . ?
F2C Sb1C F7C 88.94(16) . . ?
F2C Sb1C F5C 178.12(17) . . ?
N1B Ag1 N14B 97.93(17) . . ?
N1B Ag1 N4A 107.23(19) . . ?
N4A Ag1 N14B 106.32(17) . . ?
N4B Ag1 N1B 137.48(17) . . ?
N4B Ag1 N14B 97.78(15) . . ?
N4B Ag1 N4A 105.76(17) . . ?
N2B N1B Ag1 134.3(4) . . ?
C5B N1B Ag1 122.7(4) . . ?
C5B N1B N2B 102.9(5) . . ?
C7B O8B H8B 109.5 . . ?
C13A N14A C15A 118.3(9) . . ?
N1B N2B C6B 121.9(4) . . ?
C3B N2B N1B 108.9(4) . . ?
C3B N2B C6B 129.1(4) . . ?
C15B C16B C11B 120.5(5) . . ?
F25B C16B C15B 119.4(6) . . ?
F25B C16B C11B 120.0(5) . . ?
C15B N14B Ag1 120.4(4) . . ?
C13B N14B Ag1 122.5(4) . . ?
C13B N14B C15B 115.4(5) . . ?
C13B N12B C11B 117.9(5) . . ?
C11A N12A C13A 116.6(10) . . ?
F24B C18B C17B 119.1(5) . . ?
F24B C18B C19B 116.1(5) . . ?
C19B C18B C17B 124.9(5) . . ?
C7A O8A H8A 109.5 . . ?
C16B C15B H15B 119.5 . . ?
N14B C15B C16B 121.0(5) . . ?
N14B C15B H15B 119.5 . . ?
N4A C5A H5A 124.7 . . ?
N4A C5A N1A 110.6(5) . . ?
N1A C5A H5A 124.7 . . ?
C9B C10B H10B 108.6 . . ?
C9B C10B C7B 110.1(4) . 1_565 ?
C7B C10B H10B 108.6 1_565 . ?
C11B C10B H10B 108.6 . . ?
C11B C10B C9B 107.9(4) . . ?
C11B C10B C7B 113.1(4) . 1_565 ?
O8A C7A C6A 108.4(4) . . ?
O8A C7A C9A 112.0(5) . . ?
O8A C7A C17A 105.4(5) . . ?
C9A C7A C6A 109.5(5) . . ?
C17A C7A C6A 110.8(5) . . ?
C17A C7A C9A 110.7(4) . . ?
C21A C22A H22A 118.9 . . ?
C21A C22A C17A 122.2(6) . . ?
C17A C22A H22A 118.9 . . ?
C7A C6A H6AA 108.9 . . ?
C7A C6A H6AB 108.9 . . ?
H6AA C6A H6AB 107.7 . . ?
N1A C6A C7A 113.3(5) . . ?
N1A C6A H6AA 108.9 . . ?
N1A C6A H6AB 108.9 . . ?
C5A N4A Ag1 134.2(4) . . ?
C5A N4A C3A 102.1(5) . . ?
C3A N4A Ag1 123.1(4) . . ?
F23B C20B C21B 119.0(6) . . ?
C19B C20B C21B 123.2(6) . . ?
C19B C20B F23B 117.8(6) . . ?
C3B N4B Ag1 127.8(3) 1_455 . ?
C3B N4B C5B 103.5(4) 1_455 1_455 ?
C5B N4B Ag1 128.7(4) 1_455 . ?
C10B C9B H9BA 109.5 . . ?
C10B C9B H9BB 109.5 . . ?
C10B C9B H9BC 109.5 . . ?
H9BA C9B H9BB 109.5 . . ?
H9BA C9B H9BC 109.5 . . ?
H9BB C9B H9BC 109.5 . . ?
N12A C11A C9A 116.1(9) . . ?
N12A C11A C16A 120.3(8) . . ?
C16A C11A C9A 123.6(8) . . ?
F24A C18A C19A 116.0(6) . . ?
F24A C18A C17A 119.5(5) . . ?
C17A C18A C19A 124.5(7) . . ?
C5A N1A C6A 128.8(5) . . ?
C5A N1A N2A 109.9(5) . . ?
N2A N1A C6A 121.1(5) . . ?
N2B C3B H3B 124.6 . . ?
N4B C3B N2B 110.8(4) 1_655 . ?
N4B C3B H3B 124.6 1_655 . ?
C21B C22B H22B 119.1 . . ?
C21B C22B C17B 121.9(7) . . ?
C17B C22B H22B 119.1 . . ?
C20B C21B C22B 118.4(7) . . ?
C20B C21B H21B 120.8 . . ?
C22B C21B H21B 120.8 . . ?
C18B C17B C22B 115.4(6) . . ?
C18B C17B C7B 123.6(5) . . ?
C22B C17B C7B 121.0(6) . . ?
C7A C9A H9A 107.7 . . ?
C11A C9A C7A 110.8(5) . . ?
C11A C9A H9A 107.7 . . ?
C10A C9A C7A 113.1(7) . . ?
C10A C9A C11A 109.7(7) . . ?
C10A C9A H9A 107.7 . . ?
N2B C6B H6BA 109.3 . . ?
N2B C6B H6BB 109.3 . . ?
N2B C6B C7B 111.5(4) . . ?
H6BA C6B H6BB 108.0 . . ?
C7B C6B H6BA 109.3 . . ?
C7B C6B H6BB 109.3 . . ?
C3A N2A N1A 101.4(5) . . ?
C18A C19A H19A 121.9 . . ?
C20A C19A C18A 116.3(7) . . ?
C20A C19A H19A 121.9 . . ?
N1B C5B N4B 113.9(5) . 1_655 ?
N1B C5B H5B 123.1 . . ?
N4B C5B H5B 123.1 1_655 . ?
F23A C20A C19A 117.8(6) . . ?
C21A C20A F23A 118.9(6) . . ?
C21A C20A C19A 123.2(6) . . ?
C22A C21A H21A 121.0 . . ?
C20A C21A C22A 118.0(6) . . ?
C20A C21A H21A 121.0 . . ?
N4A C3A H3A 122.0 . . ?
N2A C3A N4A 115.9(6) . . ?
N2A C3A H3A 122.0 . . ?
F25A C16A C11A 121.3(7) . . ?
F25A C16A C15A 119.6(9) . . ?
C15A C16A C11A 119.1(10) . . ?
O8B C7B C10B 111.2(5) . 1_545 ?
O8B C7B C17B 105.9(4) . . ?
O8B C7B C6B 109.9(4) . . ?
C17B C7B C10B 109.9(4) . 1_545 ?
C17B C7B C6B 109.6(5) . . ?
C6B C7B C10B 110.1(4) . 1_545 ?
C22A C17A C7A 120.6(5) . . ?
C18A C17A C7A 123.5(5) . . ?
C18A C17A C22A 115.9(5) . . ?
N14B C13B N12B 127.3(5) . . ?
N14B C13B H13B 116.4 . . ?
N12B C13B H13B 116.4 . . ?
C18B C19B H19B 121.8 . . ?
C20B C19B C18B 116.3(5) . . ?
C20B C19B H19B 121.8 . . ?
C16B C11B C10B 122.3(5) . . ?
N12B C11B C16B 117.8(5) . . ?
N12B C11B C10B 119.9(5) . . ?
C9A C10A H10A 109.5 . . ?
C9A C10A H10C 109.5 . . ?
C9A C10A H10D 109.5 . . ?
H10A C10A H10C 109.5 . . ?
H10A C10A H10D 109.5 . . ?
H10C C10A H10D 109.5 . . ?
N14A C13A N12A 125.7(10) . . ?
N14A C13A H13A 117.1 . . ?
N12A C13A H13A 117.1 . . ?
N14A C15A C16A 120.0(11) . . ?
N14A C15A H15A 120.0 . . ?
C16A C15A H15A 120.0 . . ?
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
Sb1C F6C 1.867(3) . ?
Sb1C F7C 1.881(3) . ?
Sb1C F5C 1.874(4) . ?
Sb1C F4C 1.861(3) . ?
Sb1C F3C 1.860(4) . ?
Sb1C F2C 1.869(3) . ?
Ag1 N1B 2.252(5) . ?
Ag1 N14B 2.461(5) . ?
Ag1 N4A 2.270(5) . ?
Ag1 N4B 2.242(4) . ?
N1B N2B 1.368(6) . ?
N1B C5B 1.327(8) . ?
O8B H8B 0.8400 . ?
O8B C7B 1.418(6) . ?
N14A C13A 1.309(15) . ?
N14A C15A 1.336(14) . ?
N2B C3B 1.332(6) . ?
N2B C6B 1.461(6) . ?
C16B C15B 1.369(8) . ?
C16B F25B 1.345(6) . ?
C16B C11B 1.382(8) . ?
N14B C15B 1.344(7) . ?
N14B C13B 1.321(7) . ?
N12B C13B 1.330(7) . ?
N12B C11B 1.348(6) . ?
N12A C11A 1.337(12) . ?
N12A C13A 1.357(12) . ?
F24B C18B 1.367(6) . ?
C18B C17B 1.385(8) . ?
C18B C19B 1.377(8) . ?
O8A H8A 0.8400 . ?
O8A C7A 1.414(7) . ?
C15B H15B 0.9500 . ?
C5A H5A 0.9500 . ?
C5A N4A 1.312(7) . ?
C5A N1A 1.333(7) . ?
C10B H10B 1.0000 . ?
C10B C9B 1.545(7) . ?
C10B C7B 1.551(7) 1_565 ?
C10B C11B 1.503(7) . ?
C7A C6A 1.547(8) . ?
C7A C9A 1.542(10) . ?
C7A C17A 1.535(7) . ?
C22A H22A 0.9500 . ?
C22A C21A 1.389(8) . ?
C22A C17A 1.393(8) . ?
C6A H6AA 0.9900 . ?
C6A H6AB 0.9900 . ?
C6A N1A 1.443(7) . ?
N4A C3A 1.355(8) . ?
C20B C21B 1.372(10) . ?
C20B F23B 1.364(7) . ?
C20B C19B 1.357(9) . ?
N4B C3B 1.319(6) 1_455 ?
N4B C5B 1.352(7) 1_455 ?
C9B H9BA 0.9800 . ?
C9B H9BB 0.9800 . ?
C9B H9BC 0.9800 . ?
C11A C9A 1.523(12) . ?
C11A C16A 1.392(13) . ?
C18A C19A 1.381(11) . ?
C18A F24A 1.363(7) . ?
C18A C17A 1.379(8) . ?
N1A N2A 1.360(8) . ?
F25A C16A 1.330(10) . ?
F23A C20A 1.368(7) . ?
C3B H3B 0.9500 . ?
C22B H22B 0.9500 . ?
C22B C21B 1.383(11) . ?
C22B C17B 1.394(9) . ?
C21B H21B 0.9500 . ?
C17B C7B 1.536(8) . ?
C9A H9A 1.0000 . ?
C9A C10A 1.513(10) . ?
C6B H6BA 0.9900 . ?
C6B H6BB 0.9900 . ?
C6B C7B 1.547(6) . ?
N2A C3A 1.311(8) . ?
C19A H19A 0.9500 . ?
C19A C20A 1.375(12) . ?
C5B H5B 0.9500 . ?
C20A C21A 1.364(9) . ?
C21A H21A 0.9500 . ?
C3A H3A 0.9500 . ?
C16A C15A 1.378(11) . ?
C13B H13B 0.9500 . ?
C19B H19B 0.9500 . ?
C10A H10A 0.9800 . ?
C10A H10C 0.9800 . ?
C10A H10D 0.9800 . ?
C13A H13A 0.9500 . ?
C15A H15A 0.9500 . ?
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 N1B N2B C3B 176.9(4) . . . . ?
Ag1 N1B N2B C6B -5.7(7) . . . . ?
Ag1 N1B C5B N4B -176.0(4) . . . 1_655 ?
Ag1 N14B C15B C16B 164.7(4) . . . . ?
Ag1 N14B C13B N12B -163.5(4) . . . . ?
Ag1 N4A C3A N2A -172.7(5) . . . . ?
N1B N2B C3B N4B -1.7(6) . . . 1_655 ?
N1B N2B C6B C7B 125.4(5) . . . . ?
N2B N1B C5B N4B 1.1(6) . . . 1_655 ?
N2B C6B C7B O8B 61.3(6) . . . . ?
N2B C6B C7B C10B -175.8(4) . . . 1_545 ?
N2B C6B C7B C17B -54.7(5) . . . . ?
N12A C11A C9A C7A -56.8(11) . . . . ?
N12A C11A C9A C10A 68.7(9) . . . . ?
N12A C11A C16A F25A -178.6(8) . . . . ?
N12A C11A C16A C15A -1.6(13) . . . . ?
F24B C18B C17B C22B 179.9(5) . . . . ?
F24B C18B C17B C7B 0.7(8) . . . . ?
F24B C18B C19B C20B 179.9(5) . . . . ?
C18B C17B C7B O8B -178.5(5) . . . . ?
C18B C17B C7B C10B 61.3(7) . . . 1_545 ?
C18B C17B C7B C6B -60.0(7) . . . . ?
O8A C7A C6A N1A 56.9(6) . . . . ?
O8A C7A C9A C11A 66.1(8) . . . . ?
O8A C7A C9A C10A -57.5(7) . . . . ?
O8A C7A C17A C22A 7.7(7) . . . . ?
O8A C7A C17A C18A -173.4(5) . . . . ?
C15B C16B C11B N12B 4.5(8) . . . . ?
C15B C16B C11B C10B -178.2(5) . . . . ?
C15B N14B C13B N12B 1.5(8) . . . . ?
C5A N4A C3A N2A -0.7(8) . . . . ?
C5A N1A N2A C3A 0.1(7) . . . . ?
F25B C16B C15B N14B 179.7(5) . . . . ?
F25B C16B C11B N12B -177.5(4) . . . . ?
F25B C16B C11B C10B -0.2(8) . . . . ?
C7A C6A N1A C5A -85.8(7) . . . . ?
C7A C6A N1A N2A 100.1(7) . . . . ?
C6A C7A C9A C11A -54.2(8) . . . . ?
C6A C7A C9A C10A -177.8(6) . . . . ?
C6A C7A C17A C22A 124.8(6) . . . . ?
C6A C7A C17A C18A -56.3(7) . . . . ?
C6A N1A N2A C3A 175.2(5) . . . . ?
N4A C5A N1A C6A -175.1(5) . . . . ?
N4A C5A N1A N2A -0.5(7) . . . . ?
C9B C10B C11B C16B -82.4(6) . . . . ?
C9B C10B C11B N12B 94.9(5) . . . . ?
C11A N12A C13A N14A 1.6(19) . . . . ?
C11A C16A C15A N14A 2.6(14) . . . . ?
C18A C19A C20A F23A 178.1(7) . . . . ?
C18A C19A C20A C21A 0.4(12) . . . . ?
N1A C5A N4A Ag1 171.3(4) . . . . ?
N1A C5A N4A C3A 0.7(7) . . . . ?
N1A N2A C3A N4A 0.4(8) . . . . ?
F25A C16A C15A N14A 179.6(9) . . . . ?
F23A C20A C21A C22A -178.4(5) . . . . ?
C3B N2B C6B C7B -57.8(6) . . . . ?
C22B C17B C7B O8B 2.3(7) . . . . ?
C22B C17B C7B C10B -118.0(6) . . . 1_545 ?
C22B C17B C7B C6B 120.8(6) . . . . ?
C21B C20B C19B C18B 0.8(10) . . . . ?
C21B C22B C17B C18B -0.5(10) . . . . ?
C21B C22B C17B C7B 178.8(7) . . . . ?
F23B C20B C21B C22B -179.7(7) . . . . ?
F23B C20B C19B C18B -179.7(5) . . . . ?
C17B C18B C19B C20B -1.4(9) . . . . ?
C17B C22B C21B C20B -0.1(12) . . . . ?
C9A C7A C6A N1A 179.3(5) . . . . ?
C9A C7A C17A C22A -113.6(6) . . . . ?
C9A C7A C17A C18A 65.4(7) . . . . ?
C9A C11A C16A F25A 0.9(13) . . . . ?
C9A C11A C16A C15A 177.9(8) . . . . ?
C6B N2B C3B N4B -178.8(4) . . . 1_655 ?
C19A C18A C17A C7A -179.6(7) . . . . ?
C19A C18A C17A C22A -0.7(10) . . . . ?
C19A C20A C21A C22A -0.7(10) . . . . ?
C5B N1B N2B C3B 0.4(6) . . . . ?
C5B N1B N2B C6B 177.8(4) . . . . ?
C21A C22A C17A C7A 179.4(5) . . . . ?
C21A C22A C17A C18A 0.4(8) . . . . ?
F24A C18A C19A C20A -179.1(6) . . . . ?
F24A C18A C17A C7A -0.2(8) . . . . ?
F24A C18A C17A C22A 178.8(5) . . . . ?
C16A C11A C9A C7A 123.6(8) . . . . ?
C16A C11A C9A C10A -110.9(10) . . . . ?
C7B C10B C11B C16B 155.6(5) 1_565 . . . ?
C7B C10B C11B N12B -27.1(6) 1_565 . . . ?
C17A C7A C6A N1A -58.3(6) . . . . ?
C17A C7A C9A C11A -176.6(7) . . . . ?
C17A C7A C9A C10A 59.8(7) . . . . ?
C17A C22A C21A C20A 0.3(9) . . . . ?
C17A C18A C19A C20A 0.3(12) . . . . ?
C13B N14B C15B C16B -0.7(8) . . . . ?
C13B N12B C11B C16B -3.7(7) . . . . ?
C13B N12B C11B C10B 178.9(4) . . . . ?
C19B C18B C17B C22B 1.2(9) . . . . ?
C19B C18B C17B C7B -178.0(5) . . . . ?
C19B C20B C21B C22B -0.1(12) . . . . ?
C11B C16B C15B N14B -2.3(9) . . . . ?
C11B N12B C13B N14B 0.7(8) . . . . ?
C13A N14A C15A C16A -1.4(18) . . . . ?
C13A N12A C11A C9A -179.9(9) . . . . ?
C13A N12A C11A C16A -0.4(14) . . . . ?
C15A N14A C13A N12A -1(2) . . . . ?
