# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2024

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_moc188
_database_code_depnum_ccdc_archive 'CCDC 2277941'
loop_
_audit_author_name
_audit_author_address
'Jakob Kljun' 'University of Ljubljana'
_audit_update_record             
;
2023-10-17 deposited with the CCDC.	2023-12-05 downloaded from the CCDC.
;
_audit_creation_date             2023-06-29
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'F6 Sb, C36 H30 Ag Cl6 N4 O2'
_chemical_formula_sum            'C36 H30 Ag Cl6 F6 N4 O2 Sb'
_chemical_formula_weight         1106.96
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C36 H30 Cl6 N4 O4 Ag1 Sb1 F6'
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'
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'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   15.8651(10)
_cell_length_b                   9.0452(4)
_cell_length_c                   16.4734(12)
_cell_angle_alpha                90
_cell_angle_beta                 118.245(9)
_cell_angle_gamma                90
_cell_volume                     2082.5(3)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    5006
_cell_measurement_temperature    150.00(10)
_cell_measurement_theta_max      29.2470
_cell_measurement_theta_min      3.3920
_shelx_estimated_absorpt_T_max   0.926
_shelx_estimated_absorpt_T_min   0.744
_exptl_absorpt_coefficient_mu    1.569
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.70738
_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_absorpt_special_details   ?
_exptl_crystal_colour            'clear colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   ?
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.765
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             1088
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0365
_diffrn_reflns_av_unetI/netI     0.0384
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.984
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            17804
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.984
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.483
_diffrn_reflns_theta_min         2.455
_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 1.000
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -64.00  35.00   1.00   82.33    --   10.78 -37.00 -60.00   99
  2  ω    -44.00  21.00   1.00   82.33    --  -11.09  77.00-150.00   65
  3  ω    -15.00  30.00   1.00   82.33    --  -11.09 -99.00 -30.00   45
  4  ω    -83.00  17.00   1.00   82.33    --  -11.09 -57.00-120.00  100
  5  ω     39.00  66.00   1.00   82.33    --   10.78 178.00-180.00   27
;
_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      -0.0298781000
_diffrn_orient_matrix_UB_12      -0.0045744000
_diffrn_orient_matrix_UB_13      -0.0483301000
_diffrn_orient_matrix_UB_21      0.0000321000
_diffrn_orient_matrix_UB_22      0.0782122000
_diffrn_orient_matrix_UB_23      -0.0031068000
_diffrn_orient_matrix_UB_31      0.0410188000
_diffrn_orient_matrix_UB_32      -0.0033880000
_diffrn_orient_matrix_UB_33      -0.0065926000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3125
_reflns_number_total             4711
_reflns_odcompleteness_completeness 99.91
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_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 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.974
_refine_diff_density_min         -0.777
_refine_diff_density_rms         0.098
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     256
_refine_ls_number_reflns         4711
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0757
_refine_ls_R_factor_gt           0.0434
_refine_ls_restrained_S_all      1.031
_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)+(0.0437P)²+4.2330P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0994
_refine_ls_wR_factor_ref         0.1125
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2.a Ternary CH refined with riding coordinates:
 C7(H7)
2.b Secondary CH2 refined with riding coordinates:
 C6(H6A,H6B), C17(H17A,H17B)
2.c Aromatic/amide H refined with riding coordinates:
 C10(H10), C5(H5), C13(H13), C4(H4), C2(H2), C12(H12), C23(H23), C19(H19),
 C22(H22), C20(H20)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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
Sb25 Sb 0.000000 1.000000 0.500000 0.03004(13) Uani 1 2 d S . P . .
Ag1 Ag 0.000000 0.500000 0.500000 0.04126(15) Uani 1 2 d S . P . .
Cl14 Cl 0.35253(8) 1.09100(14) 0.66288(9) 0.0461(3) Uani 1 1 d . . . . .
Cl15 Cl 0.70760(9) 1.24689(16) 0.91547(9) 0.0492(3) Uani 1 1 d . . . . .
Cl24 Cl 0.64093(12) 0.02762(17) 0.61928(12) 0.0670(4) Uani 1 1 d . . . . .
O16 O 0.4689(2) 0.6387(3) 0.6960(2) 0.0350(7) Uani 1 1 d . . . . .
N1 N 0.2852(2) 0.6220(4) 0.6863(2) 0.0276(8) Uani 1 1 d . . . . .
N3 N 0.1458(3) 0.5266(5) 0.5906(3) 0.0369(10) Uani 1 1 d . . . . .
C6 C 0.3573(3) 0.7312(5) 0.7411(3) 0.0301(9) Uani 1 1 d . . . . .
H6A H 0.397107 0.691723 0.803956 0.036 Uiso 1 1 calc R U . . .
H6B H 0.325160 0.821777 0.746273 0.036 Uiso 1 1 calc R U . . .
C8 C 0.4926(3) 0.8906(5) 0.7558(3) 0.0314(10) Uani 1 1 d . . . . .
C10 C 0.5331(3) 1.1498(5) 0.7922(3) 0.0354(10) Uani 1 1 d . . . . .
H10 H 0.515491 1.251153 0.781613 0.042 Uiso 1 1 calc R U . . .
C5 C 0.2995(3) 0.4738(5) 0.6787(3) 0.0330(10) Uani 1 1 d . . . . .
H5 H 0.358545 0.422054 0.709336 0.040 Uiso 1 1 calc R U . . .
C7 C 0.4222(3) 0.7710(5) 0.6983(3) 0.0320(10) Uani 1 1 d . . . . .
H7 H 0.382091 0.808031 0.634057 0.038 Uiso 1 1 calc R U . . .
F27 F 0.1295(3) 1.0286(6) 0.5666(3) 0.1157(18) Uani 1 1 d . . . . .
C13 C 0.5847(3) 0.8542(6) 0.8242(3) 0.0365(11) Uani 1 1 d . . . . .
H13 H 0.602689 0.753189 0.836274 0.044 Uiso 1 1 calc R U . . .
C4 C 0.2142(3) 0.4161(5) 0.6199(3) 0.0332(10) Uani 1 1 d . . . . .
H4 H 0.202620 0.315501 0.601302 0.040 Uiso 1 1 calc R U . . .
C2 C 0.1917(3) 0.6483(5) 0.6317(3) 0.0336(10) Uani 1 1 d . . . . .
H2 H 0.162461 0.742638 0.623741 0.040 Uiso 1 1 calc R U . . .
C18 C 0.5362(3) 0.4893(6) 0.6246(3) 0.0361(10) Uani 1 1 d . . . . .
C12 C 0.6500(3) 0.9628(6) 0.8746(3) 0.0388(12) Uani 1 1 d . . . . .
H12 H 0.712303 0.936731 0.921091 0.047 Uiso 1 1 calc R U . . .
C9 C 0.4686(3) 1.0394(5) 0.7433(3) 0.0334(10) Uani 1 1 d . . . . .
C11 C 0.6239(3) 1.1077(6) 0.8569(3) 0.0367(11) Uani 1 1 d . . . . .
F26 F -0.0153(4) 1.0814(7) 0.3922(3) 0.127(2) Uani 1 1 d . . . . .
C23 C 0.4723(3) 0.3747(6) 0.5798(3) 0.0391(12) Uani 1 1 d . . . . .
H23 H 0.405528 0.394169 0.550035 0.047 Uiso 1 1 calc R U . . .
C19 C 0.6334(3) 0.4562(6) 0.6681(3) 0.0401(12) Uani 1 1 d . . . . .
H19 H 0.678375 0.532597 0.699075 0.048 Uiso 1 1 calc R U . . .
C22 C 0.5035(3) 0.2352(6) 0.5776(3) 0.0428(12) Uani 1 1 d . . . . .
H22 H 0.458744 0.158866 0.546135 0.051 Uiso 1 1 calc R U . . .
C21 C 0.6015(3) 0.2045(6) 0.6218(3) 0.0403(12) Uani 1 1 d . . . . .
C17 C 0.5012(4) 0.6407(6) 0.6275(3) 0.0421(12) Uani 1 1 d . . . . .
H17A H 0.553294 0.713720 0.644314 0.050 Uiso 1 1 calc R U . . .
H17B H 0.447844 0.667774 0.566505 0.050 Uiso 1 1 calc R U . . .
C20 C 0.6657(3) 0.3164(6) 0.6673(4) 0.0444(12) Uani 1 1 d . . . . .
H20 H 0.732412 0.296275 0.698036 0.053 Uiso 1 1 calc R U . . .
F28 F 0.0172(5) 0.8183(6) 0.4641(4) 0.195(4) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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
Sb25 F27 1.832(3) . ?
Sb25 F27 1.832(3) 3_576 ?
Sb25 F26 1.829(4) 3_576 ?
Sb25 F26 1.829(4) . ?
Sb25 F28 1.810(4) 3_576 ?
Sb25 F28 1.810(4) . ?
Ag1 N3 2.089(4) 3_566 ?
Ag1 N3 2.089(4) . ?
Cl14 C9 1.748(4) . ?
Cl15 C11 1.751(5) . ?
Cl24 C21 1.726(6) . ?
O16 C7 1.418(5) . ?
O16 C17 1.443(5) . ?
N1 C6 1.456(5) . ?
N1 C5 1.376(5) . ?
N1 C2 1.343(5) . ?
N3 C4 1.383(6) . ?
N3 C2 1.318(6) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C6 C7 1.541(6) . ?
C8 C7 1.520(6) . ?
C8 C13 1.398(6) . ?
C8 C9 1.387(6) . ?
C10 H10 0.9500 . ?
C10 C9 1.383(6) . ?
C10 C11 1.380(6) . ?
C5 H5 0.9500 . ?
C5 C4 1.343(6) . ?
C7 H7 1.0000 . ?
C13 H13 0.9500 . ?
C13 C12 1.384(7) . ?
C4 H4 0.9500 . ?
C2 H2 0.9500 . ?
C18 C23 1.393(7) . ?
C18 C19 1.391(6) . ?
C18 C17 1.487(7) . ?
C12 H12 0.9500 . ?
C12 C11 1.363(7) . ?
C23 H23 0.9500 . ?
C23 C22 1.362(7) . ?
C19 H19 0.9500 . ?
C19 C20 1.367(7) . ?
C22 H22 0.9500 . ?
C22 C21 1.397(7) . ?
C21 C20 1.379(7) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C20 H20 0.9500 . ?

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
F27 Sb25 F27 180.00(14) . 3_576 ?
F26 Sb25 F27 96.9(2) . . ?
F26 Sb25 F27 83.1(2) . 3_576 ?
F26 Sb25 F27 96.9(2) 3_576 3_576 ?
F26 Sb25 F27 83.1(2) 3_576 . ?
F26 Sb25 F26 180.0 . 3_576 ?
F28 Sb25 F27 91.4(3) . . ?
F28 Sb25 F27 88.6(3) 3_576 . ?
F28 Sb25 F27 91.4(3) 3_576 3_576 ?
F28 Sb25 F27 88.6(3) . 3_576 ?
F28 Sb25 F26 91.1(3) . . ?
F28 Sb25 F26 91.1(3) 3_576 3_576 ?
F28 Sb25 F26 88.9(3) 3_576 . ?
F28 Sb25 F26 88.9(3) . 3_576 ?
F28 Sb25 F28 180.0 . 3_576 ?
N3 Ag1 N3 180.0 . 3_566 ?
C7 O16 C17 113.2(3) . . ?
C5 N1 C6 127.0(4) . . ?
C2 N1 C6 126.1(4) . . ?
C2 N1 C5 106.9(4) . . ?
C4 N3 Ag1 125.9(3) . . ?
C2 N3 Ag1 128.3(3) . . ?
C2 N3 C4 105.8(4) . . ?
N1 C6 H6A 109.2 . . ?
N1 C6 H6B 109.2 . . ?
N1 C6 C7 112.0(4) . . ?
H6A C6 H6B 107.9 . . ?
C7 C6 H6A 109.2 . . ?
C7 C6 H6B 109.2 . . ?
C13 C8 C7 120.9(4) . . ?
C9 C8 C7 122.0(4) . . ?
C9 C8 C13 117.1(4) . . ?
C9 C10 H10 121.2 . . ?
C11 C10 H10 121.2 . . ?
C11 C10 C9 117.7(5) . . ?
N1 C5 H5 126.6 . . ?
C4 C5 N1 106.9(4) . . ?
C4 C5 H5 126.6 . . ?
O16 C7 C6 106.6(4) . . ?
O16 C7 C8 112.3(3) . . ?
O16 C7 H7 109.5 . . ?
C6 C7 H7 109.5 . . ?
C8 C7 C6 109.5(4) . . ?
C8 C7 H7 109.5 . . ?
C8 C13 H13 119.4 . . ?
C12 C13 C8 121.1(5) . . ?
C12 C13 H13 119.4 . . ?
N3 C4 H4 125.4 . . ?
C5 C4 N3 109.2(4) . . ?
C5 C4 H4 125.4 . . ?
N1 C2 H2 124.4 . . ?
N3 C2 N1 111.3(4) . . ?
N3 C2 H2 124.4 . . ?
C23 C18 C17 120.9(4) . . ?
C19 C18 C23 117.6(5) . . ?
C19 C18 C17 121.4(5) . . ?
C13 C12 H12 120.4 . . ?
C11 C12 C13 119.3(4) . . ?
C11 C12 H12 120.4 . . ?
C8 C9 Cl14 119.2(3) . . ?
C10 C9 Cl14 118.2(4) . . ?
C10 C9 C8 122.6(4) . . ?
C10 C11 Cl15 118.0(4) . . ?
C12 C11 Cl15 120.0(4) . . ?
C12 C11 C10 122.1(4) . . ?
C18 C23 H23 119.3 . . ?
C22 C23 C18 121.4(4) . . ?
C22 C23 H23 119.3 . . ?
C18 C19 H19 119.2 . . ?
C20 C19 C18 121.6(5) . . ?
C20 C19 H19 119.2 . . ?
C23 C22 H22 120.0 . . ?
C23 C22 C21 120.0(5) . . ?
C21 C22 H22 120.0 . . ?
C22 C21 Cl24 119.9(4) . . ?
C20 C21 Cl24 120.7(4) . . ?
C20 C21 C22 119.4(5) . . ?
O16 C17 C18 106.8(4) . . ?
O16 C17 H17A 110.4 . . ?
O16 C17 H17B 110.4 . . ?
C18 C17 H17A 110.4 . . ?
C18 C17 H17B 110.4 . . ?
H17A C17 H17B 108.6 . . ?
C19 C20 C21 120.0(5) . . ?
C19 C20 H20 120.0 . . ?
C21 C20 H20 120.0 . . ?

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 N3 C4 C5 -179.1(3) . . . . ?
Ag1 N3 C2 N1 179.1(3) . . . . ?
Cl24 C21 C20 C19 179.5(4) . . . . ?
N1 C6 C7 O16 -61.1(4) . . . . ?
N1 C6 C7 C8 177.2(4) . . . . ?
N1 C5 C4 N3 -0.4(5) . . . . ?
C6 N1 C5 C4 -178.8(4) . . . . ?
C6 N1 C2 N3 179.2(4) . . . . ?
C8 C13 C12 C11 -0.2(7) . . . . ?
C5 N1 C6 C7 73.3(5) . . . . ?
C5 N1 C2 N3 0.4(5) . . . . ?
C7 O16 C17 C18 -172.5(4) . . . . ?
C7 C8 C13 C12 177.8(4) . . . . ?
C7 C8 C9 Cl14 3.0(6) . . . . ?
C7 C8 C9 C10 -177.1(4) . . . . ?
C13 C8 C7 O16 -22.9(6) . . . . ?
C13 C8 C7 C6 95.3(5) . . . . ?
C13 C8 C9 Cl14 -176.7(3) . . . . ?
C13 C8 C9 C10 3.2(7) . . . . ?
C13 C12 C11 Cl15 -176.4(4) . . . . ?
C13 C12 C11 C10 2.2(7) . . . . ?
C4 N3 C2 N1 -0.7(5) . . . . ?
C2 N1 C6 C7 -105.3(5) . . . . ?
C2 N1 C5 C4 0.0(5) . . . . ?
C2 N3 C4 C5 0.7(5) . . . . ?
C18 C23 C22 C21 0.6(7) . . . . ?
C18 C19 C20 C21 0.7(8) . . . . ?
C9 C8 C7 O16 157.4(4) . . . . ?
C9 C8 C7 C6 -84.4(5) . . . . ?
C9 C8 C13 C12 -2.4(7) . . . . ?
C9 C10 C11 Cl15 177.2(3) . . . . ?
C9 C10 C11 C12 -1.5(7) . . . . ?
C11 C10 C9 Cl14 178.6(3) . . . . ?
C11 C10 C9 C8 -1.3(7) . . . . ?
C23 C18 C19 C20 0.0(7) . . . . ?
C23 C18 C17 O16 77.2(5) . . . . ?
C23 C22 C21 Cl24 179.8(4) . . . . ?
C23 C22 C21 C20 0.0(7) . . . . ?
C19 C18 C23 C22 -0.6(7) . . . . ?
C19 C18 C17 O16 -101.3(5) . . . . ?
C22 C21 C20 C19 -0.7(8) . . . . ?
C17 O16 C7 C6 156.7(4) . . . . ?
C17 O16 C7 C8 -83.4(5) . . . . ?
C17 C18 C23 C22 -179.2(4) . . . . ?
C17 C18 C19 C20 178.5(5) . . . . ?

_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 1.382
_oxdiff_exptl_absorpt_empirical_full_min 0.685
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_moc423
_database_code_depnum_ccdc_archive 'CCDC 2277942'
loop_
_audit_author_name
_audit_author_address
'Jakob Kljun' 'University of Ljubljana'
_audit_update_record             
;
2023-10-17 deposited with the CCDC.	2023-12-05 downloaded from the CCDC.
;
_audit_creation_date             2023-10-17
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C44 H34 Ag Cl2 N4, F6 Sb'
_chemical_formula_sum            'C44 H34 Ag Cl2 F6 N4 Sb'
_chemical_formula_weight         1033.27
_chemical_absolute_configuration ?
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C44 H34 Cl2 N4 Ag1 Sb1 F6'
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'

_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.
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           43
_space_group_name_H-M_alt        'F d d 2'
_space_group_name_Hall           'F 2 -2d'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z'
'-x+1/4, y+1/4, z+1/4'
'x+1/4, -y+1/4, z+1/4'
'x, y+1/2, z+1/2'
'-x, -y+1/2, z+1/2'
'-x+1/4, y+3/4, z+3/4'
'x+1/4, -y+3/4, z+3/4'
'x+1/2, y, z+1/2'
'-x+1/2, -y, z+1/2'
'-x+3/4, y+1/4, z+3/4'
'x+3/4, -y+1/4, z+3/4'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1/2, z'
'-x+3/4, y+3/4, z+1/4'
'x+3/4, -y+3/4, z+1/4'

_cell_length_a                   31.1679(12)
_cell_length_b                   30.6135(11)
_cell_length_c                   8.4228(5)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     8036.7(6)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    5226
_cell_measurement_temperature    150.00(10)
_cell_measurement_theta_max      29.2940
_cell_measurement_theta_min      3.1570
_shelx_estimated_absorpt_T_max   0.876
_shelx_estimated_absorpt_T_min   0.822
_exptl_absorpt_coefficient_mu    1.359
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.83047
_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_absorpt_special_details   ?
_exptl_crystal_colour            'clear colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.708
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             4096
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0170
_diffrn_reflns_av_unetI/netI     0.0175
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.982
_diffrn_reflns_limit_h_max       40
_diffrn_reflns_limit_h_min       -38
_diffrn_reflns_limit_k_max       38
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -8
_diffrn_reflns_number            9529
_diffrn_reflns_point_group_measured_fraction_full 0.864
_diffrn_reflns_point_group_measured_fraction_max 0.821
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.475
_diffrn_reflns_theta_min         2.592
_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 0.982
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -14.00  85.00   0.50   35.88    --   10.78  37.00 -90.00  198
  2  ω    -15.00  25.00   0.50   35.88    --  -11.09 -99.00  30.00   80
  3  ω    -21.00  20.00   0.50   35.88    --  -11.09  77.00   0.00   82
;
_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      -0.0030312000
_diffrn_orient_matrix_UB_12      0.0118258000
_diffrn_orient_matrix_UB_13      0.0715550000
_diffrn_orient_matrix_UB_21      -0.0113174000
_diffrn_orient_matrix_UB_22      0.0163761000
_diffrn_orient_matrix_UB_23      -0.0423547000
_diffrn_orient_matrix_UB_31      -0.0195103000
_diffrn_orient_matrix_UB_32      -0.0113351000
_diffrn_orient_matrix_UB_33      0.0134659000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Mo) X-ray Source'
_reflns_Friedel_coverage         0.566
_reflns_Friedel_fraction_full    0.706
_reflns_Friedel_fraction_max     0.637
_reflns_number_gt                3474
_reflns_number_total             3778
_reflns_odcompleteness_completeness 99.83
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_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 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.305
_refine_diff_density_min         -0.612
_refine_diff_density_rms         0.060
_refine_ls_abs_structure_details 
;
 Flack x determined using 1134 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.00(2)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.093
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     273
_refine_ls_number_reflns         3778
_refine_ls_number_restraints     3
_refine_ls_R_factor_all          0.0286
_refine_ls_R_factor_gt           0.0252
_refine_ls_restrained_S_all      1.128
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0247P)²+16.5476P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0566
_refine_ls_wR_factor_ref         0.0582
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2. Restrained distances
 C14-Cl14
 1.79 with sigma of 0.02
 Cl14-C14
 1.9 with sigma of 0.02
3. Others
 Sof(Cl14)=Sof(H8)=1-FVAR(1)
 Sof(Cl8)=Sof(H14)=FVAR(1)
4.a Aromatic/amide H refined with riding coordinates:
 C8(H8), C2(H2), C14(H14), C18(H18), C10(H10), C12(H12), C17(H17), C15(H15),
 C16(H16), C9(H9), C23(H23), C24(H24), C5(H5), C11(H11), C4(H4), C22(H22),
 C20(H20), C21(H21)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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
Cl8 Cl 0.35591(4) 0.39637(3) 0.60164(18) 0.0300(3) Uani 0.917(3) 1 d . . P A 1
Cl14 Cl 0.3696(3) 0.2749(4) 0.1259(16) 0.032(4) Uani 0.083(3) 1 d D . P A 2
Sb25 Sb 0.500000 0.500000 0.98889(4) 0.02750(10) Uani 1 2 d S T P . .
Ag1 Ag 0.500000 0.500000 0.48589(6) 0.02346(10) Uani 1 2 d S T P . .
F27 F 0.51272(10) 0.55966(8) 0.9896(6) 0.0597(7) Uani 1 1 d . . . . .
F28 F 0.54167(10) 0.49147(10) 1.1459(4) 0.0526(8) Uani 1 1 d . . . . .
C6 C 0.41074(10) 0.34543(10) 0.3449(5) 0.0190(7) Uani 1 1 d . . . . .
F26 F 0.54055(11) 0.48992(11) 0.8313(4) 0.0619(9) Uani 1 1 d . . . . .
C8 C 0.36547(11) 0.33978(11) 0.6004(5) 0.0245(8) Uani 1 1 d . . . . .
H8 H 0.361322 0.370503 0.596647 0.029 Uiso 0.083(3) 1 calc R U P A 2
C2 C 0.44989(10) 0.41875(10) 0.3885(5) 0.0201(7) Uani 1 1 d . . . . .
H2 H 0.439560 0.433316 0.296499 0.024 Uiso 1 1 calc R U . . .
C14 C 0.41999(13) 0.28913(12) 0.1280(6) 0.0321(9) Uani 1 1 d D . . . .
H14 H 0.389593 0.288275 0.120303 0.039 Uiso 0.917(3) 1 calc R U P A 1
C18 C 0.48359(11) 0.31778(10) 0.2442(6) 0.0244(7) Uani 1 1 d . . . . .
H18 H 0.497397 0.336908 0.316838 0.029 Uiso 1 1 calc R U . . .
C10 C 0.35472(11) 0.27181(12) 0.7355(6) 0.0331(9) Uani 1 1 d . . . . .
H10 H 0.343688 0.255690 0.822770 0.040 Uiso 1 1 calc R U . . .
N1 N 0.43912(9) 0.37750(8) 0.4300(4) 0.0177(6) Uani 1 1 d . . . . .
N3 N 0.47646(8) 0.43602(8) 0.4917(5) 0.0224(6) Uani 1 1 d . . . . .
C19 C 0.37917(10) 0.36964(10) 0.2339(5) 0.0212(7) Uani 1 1 d . . . . .
C12 C 0.39367(10) 0.27441(10) 0.4896(6) 0.0255(7) Uani 1 1 d . . . . .
H12 H 0.409172 0.259342 0.409442 0.031 Uiso 1 1 calc R U . . .
C7 C 0.38846(10) 0.31952(10) 0.4768(5) 0.0203(7) Uani 1 1 d . . . . .
C17 C 0.50816(13) 0.29137(14) 0.1450(6) 0.0353(10) Uani 1 1 d . . . . .
H17 H 0.538585 0.292095 0.151516 0.042 Uiso 1 1 calc R U . . .
C15 C 0.44439(15) 0.26306(13) 0.0291(6) 0.0384(11) Uani 1 1 d . . . . .
H15 H 0.430780 0.244238 -0.045131 0.046 Uiso 1 1 calc R U . . .
C16 C 0.48848(16) 0.26444(14) 0.0383(6) 0.0393(11) Uani 1 1 d . . . . .
H16 H 0.505262 0.246575 -0.029916 0.047 Uiso 1 1 calc R U . . .
C13 C 0.43912(10) 0.31644(10) 0.2380(5) 0.0221(7) Uani 1 1 d . . . . .
C9 C 0.34869(11) 0.31664(12) 0.7270(6) 0.0299(8) Uani 1 1 d . . . . .
H9 H 0.333107 0.331375 0.807747 0.036 Uiso 1 1 calc R U . . .
C23 C 0.36774(14) 0.41676(12) 0.0073(5) 0.0340(9) Uani 1 1 d . . . . .
H23 H 0.379090 0.434212 -0.075977 0.041 Uiso 1 1 calc R U . . .
C24 C 0.39515(12) 0.39385(12) 0.1070(5) 0.0253(8) Uani 1 1 d . . . . .
H24 H 0.425205 0.394676 0.088332 0.030 Uiso 1 1 calc R U . . .
C5 C 0.46111(12) 0.36836(11) 0.5680(5) 0.0246(8) Uani 1 1 d . . . . .
H5 H 0.460499 0.341727 0.625844 0.030 Uiso 1 1 calc R U . . .
C11 C 0.37688(13) 0.25086(11) 0.6160(6) 0.0305(10) Uani 1 1 d . . . . .
H11 H 0.380686 0.220094 0.620205 0.037 Uiso 1 1 calc R U . . .
C4 C 0.48377(12) 0.40468(11) 0.6052(5) 0.0253(8) Uani 1 1 d . . . . .
H4 H 0.501812 0.407966 0.695302 0.030 Uiso 1 1 calc R U . . .
C22 C 0.32401(14) 0.41412(13) 0.0295(5) 0.0370(11) Uani 1 1 d . . . . .
H22 H 0.305215 0.430095 -0.037682 0.044 Uiso 1 1 calc R U . . .
C20 C 0.33494(11) 0.36605(11) 0.2514(6) 0.0256(8) Uani 1 1 d . . . . .
H20 H 0.323380 0.348307 0.333417 0.031 Uiso 1 1 calc R U . . .
C21 C 0.30750(13) 0.38838(12) 0.1488(6) 0.0317(9) Uani 1 1 d . . . . .
H21 H 0.277315 0.385827 0.161337 0.038 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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
Cl8 C8 1.758(3) . ?
Cl14 C14 1.628(10) . ?
Sb25 F27 1.869(2) . ?
Sb25 F27 1.869(2) 2_665 ?
Sb25 F28 1.872(3) 2_665 ?
Sb25 F28 1.872(3) . ?
Sb25 F26 1.858(3) 2_665 ?
Sb25 F26 1.858(3) . ?
Ag1 N3 2.092(2) . ?
Ag1 N3 2.092(2) 2_665 ?
C6 N1 1.504(4) . ?
C6 C19 1.546(5) . ?
C6 C7 1.532(5) . ?
C6 C13 1.543(5) . ?
C8 H8 0.9500 . ?
C8 C7 1.407(5) . ?
C8 C9 1.383(6) . ?
C2 H2 0.9500 . ?
C2 N1 1.353(4) . ?
C2 N3 1.312(5) . ?
C14 H14 0.9500 . ?
C14 C15 1.382(6) . ?
C14 C13 1.383(5) . ?
C18 H18 0.9500 . ?
C18 C17 1.392(6) . ?
C18 C13 1.387(5) . ?
C10 H10 0.9500 . ?
C10 C9 1.387(5) . ?
C10 C11 1.379(7) . ?
N1 C5 1.378(5) . ?
N3 C4 1.373(5) . ?
C19 C24 1.393(6) . ?
C19 C20 1.391(4) . ?
C12 H12 0.9500 . ?
C12 C7 1.395(4) . ?
C12 C11 1.388(6) . ?
C17 H17 0.9500 . ?
C17 C16 1.365(7) . ?
C15 H15 0.9500 . ?
C15 C16 1.377(6) . ?
C16 H16 0.9500 . ?
C9 H9 0.9500 . ?
C23 H23 0.9500 . ?
C23 C24 1.388(5) . ?
C23 C22 1.378(6) . ?
C24 H24 0.9500 . ?
C5 H5 0.9500 . ?
C5 C4 1.354(5) . ?
C11 H11 0.9500 . ?
C4 H4 0.9500 . ?
C22 H22 0.9500 . ?
C22 C21 1.377(6) . ?
C20 H20 0.9500 . ?
C20 C21 1.395(6) . ?
C21 H21 0.9500 . ?

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
F27 Sb25 F27 179.6(3) . 2_665 ?
F27 Sb25 F28 89.26(15) . . ?
F27 Sb25 F28 90.49(16) 2_665 . ?
F27 Sb25 F28 89.26(15) 2_665 2_665 ?
F27 Sb25 F28 90.49(16) . 2_665 ?
F28 Sb25 F28 90.1(2) 2_665 . ?
F26 Sb25 F27 89.10(16) 2_665 . ?
F26 Sb25 F27 89.09(16) . 2_665 ?
F26 Sb25 F27 91.16(17) 2_665 2_665 ?
F26 Sb25 F27 91.16(17) . . ?
F26 Sb25 F28 178.24(17) . 2_665 ?
F26 Sb25 F28 90.54(13) . . ?
F26 Sb25 F28 90.54(13) 2_665 2_665 ?
F26 Sb25 F28 178.24(17) 2_665 . ?
F26 Sb25 F26 88.9(2) . 2_665 ?
N3 Ag1 N3 177.3(2) 2_665 . ?
N1 C6 C19 110.5(2) . . ?
N1 C6 C7 105.0(3) . . ?
N1 C6 C13 108.5(3) . . ?
C7 C6 C19 113.5(3) . . ?
C7 C6 C13 112.7(3) . . ?
C13 C6 C19 106.7(3) . . ?
C7 C8 Cl8 121.7(3) . . ?
C7 C8 H8 118.8 . . ?
C9 C8 Cl8 115.8(3) . . ?
C9 C8 H8 118.8 . . ?
C9 C8 C7 122.5(3) . . ?
N1 C2 H2 124.4 . . ?
N3 C2 H2 124.4 . . ?
N3 C2 N1 111.2(3) . . ?
C15 C14 Cl14 111.7(5) . . ?
C15 C14 H14 119.5 . . ?
C15 C14 C13 121.0(4) . . ?
C13 C14 Cl14 125.7(5) . . ?
C13 C14 H14 119.5 . . ?
C17 C18 H18 119.7 . . ?
C13 C18 H18 119.7 . . ?
C13 C18 C17 120.6(4) . . ?
C9 C10 H10 120.3 . . ?
C11 C10 H10 120.3 . . ?
C11 C10 C9 119.4(4) . . ?
C2 N1 C6 129.2(3) . . ?
C2 N1 C5 106.5(3) . . ?
C5 N1 C6 124.2(3) . . ?
C2 N3 Ag1 125.7(3) . . ?
C2 N3 C4 106.5(3) . . ?
C4 N3 Ag1 127.7(3) . . ?
C24 C19 C6 119.4(3) . . ?
C20 C19 C6 121.9(3) . . ?
C20 C19 C24 118.5(3) . . ?
C7 C12 H12 119.0 . . ?
C11 C12 H12 119.0 . . ?
C11 C12 C7 122.0(4) . . ?
C8 C7 C6 122.6(3) . . ?
C12 C7 C6 121.1(3) . . ?
C12 C7 C8 116.0(4) . . ?
C18 C17 H17 120.1 . . ?
C16 C17 C18 119.9(4) . . ?
C16 C17 H17 120.1 . . ?
C14 C15 H15 120.1 . . ?
C16 C15 C14 119.8(4) . . ?
C16 C15 H15 120.1 . . ?
C17 C16 C15 120.3(4) . . ?
C17 C16 H16 119.9 . . ?
C15 C16 H16 119.9 . . ?
C14 C13 C6 119.4(3) . . ?
C14 C13 C18 118.3(4) . . ?
C18 C13 C6 122.3(3) . . ?
C8 C9 C10 119.7(4) . . ?
C8 C9 H9 120.2 . . ?
C10 C9 H9 120.2 . . ?
C24 C23 H23 120.1 . . ?
C22 C23 H23 120.1 . . ?
C22 C23 C24 119.8(4) . . ?
C19 C24 H24 119.6 . . ?
C23 C24 C19 120.9(4) . . ?
C23 C24 H24 119.6 . . ?
N1 C5 H5 126.6 . . ?
C4 C5 N1 106.7(3) . . ?
C4 C5 H5 126.6 . . ?
C10 C11 C12 120.5(3) . . ?
C10 C11 H11 119.8 . . ?
C12 C11 H11 119.8 . . ?
N3 C4 H4 125.5 . . ?
C5 C4 N3 109.0(3) . . ?
C5 C4 H4 125.5 . . ?
C23 C22 H22 119.9 . . ?
C21 C22 C23 120.1(4) . . ?
C21 C22 H22 119.9 . . ?
C19 C20 H20 119.9 . . ?
C19 C20 C21 120.2(4) . . ?
C21 C20 H20 119.9 . . ?
C22 C21 C20 120.2(4) . . ?
C22 C21 H21 119.9 . . ?
C20 C21 H21 119.9 . . ?

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
Cl8 C8 C7 C6 6.6(5) . . . . ?
Cl8 C8 C7 C12 -179.7(3) . . . . ?
Cl8 C8 C9 C10 180.0(3) . . . . ?
Cl14 C14 C15 C16 -167.4(6) . . . . ?
Cl14 C14 C13 C6 -16.0(8) . . . . ?
Cl14 C14 C13 C18 166.2(6) . . . . ?
Ag1 N3 C4 C5 177.3(3) . . . . ?
C6 N1 C5 C4 178.4(3) . . . . ?
C6 C19 C24 C23 -178.5(3) . . . . ?
C6 C19 C20 C21 -180.0(3) . . . . ?
C2 N1 C5 C4 0.8(4) . . . . ?
C2 N3 C4 C5 0.0(4) . . . . ?
C14 C15 C16 C17 0.2(7) . . . . ?
C18 C17 C16 C15 -0.4(7) . . . . ?
N1 C6 C19 C24 63.6(4) . . . . ?
N1 C6 C19 C20 -120.2(4) . . . . ?
N1 C6 C7 C8 53.8(4) . . . . ?
N1 C6 C7 C12 -119.5(3) . . . . ?
N1 C6 C13 C14 -169.5(3) . . . . ?
N1 C6 C13 C18 8.2(5) . . . . ?
N1 C2 N3 Ag1 -176.8(2) . . . . ?
N1 C2 N3 C4 0.5(4) . . . . ?
N1 C5 C4 N3 -0.5(4) . . . . ?
N3 C2 N1 C6 -178.2(3) . . . . ?
N3 C2 N1 C5 -0.9(4) . . . . ?
C19 C6 N1 C2 -23.3(5) . . . . ?
C19 C6 N1 C5 159.8(3) . . . . ?
C19 C6 C7 C8 -66.9(4) . . . . ?
C19 C6 C7 C12 119.8(3) . . . . ?
C19 C6 C13 C14 -50.5(4) . . . . ?
C19 C6 C13 C18 127.3(4) . . . . ?
C19 C20 C21 C22 0.1(6) . . . . ?
C7 C6 N1 C2 -145.9(3) . . . . ?
C7 C6 N1 C5 37.1(4) . . . . ?
C7 C6 C19 C24 -178.8(3) . . . . ?
C7 C6 C19 C20 -2.6(5) . . . . ?
C7 C6 C13 C14 74.7(5) . . . . ?
C7 C6 C13 C18 -107.5(4) . . . . ?
C7 C8 C9 C10 0.6(6) . . . . ?
C7 C12 C11 C10 -0.9(6) . . . . ?
C17 C18 C13 C6 -179.5(4) . . . . ?
C17 C18 C13 C14 -1.7(6) . . . . ?
C15 C14 C13 C6 179.3(4) . . . . ?
C15 C14 C13 C18 1.4(6) . . . . ?
C13 C6 N1 C2 93.4(4) . . . . ?
C13 C6 N1 C5 -83.5(4) . . . . ?
C13 C6 C19 C24 -54.1(4) . . . . ?
C13 C6 C19 C20 122.1(3) . . . . ?
C13 C6 C7 C8 171.7(3) . . . . ?
C13 C6 C7 C12 -1.7(5) . . . . ?
C13 C14 C15 C16 -0.7(7) . . . . ?
C13 C18 C17 C16 1.2(6) . . . . ?
C9 C8 C7 C6 -174.0(3) . . . . ?
C9 C8 C7 C12 -0.4(5) . . . . ?
C9 C10 C11 C12 1.1(6) . . . . ?
C23 C22 C21 C20 2.2(6) . . . . ?
C24 C19 C20 C21 -3.7(5) . . . . ?
C24 C23 C22 C21 -0.9(6) . . . . ?
C11 C10 C9 C8 -0.9(6) . . . . ?
C11 C12 C7 C6 174.3(3) . . . . ?
C11 C12 C7 C8 0.5(5) . . . . ?
C22 C23 C24 C19 -2.9(6) . . . . ?
C20 C19 C24 C23 5.1(6) . . . . ?

_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 1.140
_oxdiff_exptl_absorpt_empirical_full_min 0.856
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_moc429
_database_code_depnum_ccdc_archive 'CCDC 2277943'
loop_
_audit_author_name
_audit_author_address
'Jakob Kljun' 'University of Ljubljana'
_audit_update_record             
;
2023-10-17 deposited with the CCDC.	2023-12-05 downloaded from the CCDC.
;
_audit_creation_date             2023-10-16
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_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
_chemical_absolute_configuration ?
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C16 F14 F9 N5 O1 Ag1 Sb1'
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'

_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.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           1
_space_group_name_H-M_alt        'P 1'
_space_group_name_Hall           'P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'

_cell_length_a                   6.4313(3)
_cell_length_b                   9.8300(5)
_cell_length_c                   15.7404(5)
_cell_angle_alpha                100.272(3)
_cell_angle_beta                 99.905(3)
_cell_angle_gamma                97.173(4)
_cell_volume                     952.05(7)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    6822
_cell_measurement_temperature    150.00(10)
_cell_measurement_theta_max      29.0560
_cell_measurement_theta_min      3.0360
_shelx_estimated_absorpt_T_max   0.968
_shelx_estimated_absorpt_T_min   0.879
_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_absorpt_special_details   ?
_exptl_crystal_colour            'clear colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.818
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_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
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_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_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_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Mo) X-ray Source'
_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_odcompleteness_completeness 99.92
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_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)'
_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_coef       .
_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_R_factor_all          0.0361
_refine_ls_R_factor_gt           0.0306
_refine_ls_restrained_S_all      0.992
_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
_refine_special_details          ?
_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)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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 . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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_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_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) . . . . ?

_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
