# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2023

####################################################################### 
# 
# 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_M
_database_code_depnum_ccdc_archive 'CCDC 1479960'
_audit_update_record             
;
2020-01-15 deposited with the CCDC.	2023-06-13 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C25 H21 Ag F6 N5 Sb'
_chemical_formula_sum            'C25 H21 Ag F6 N5 Sb'
_chemical_formula_weight         735.09

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'
N N 0.0061 0.0033 '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'
Ag Ag -0.8971 1.1015 '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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

_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.
;

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                   16.9108(5)
_cell_length_b                   7.8655(2)
_cell_length_c                   19.3503(6)
_cell_angle_alpha                90
_cell_angle_beta                 90.6790(10)
_cell_angle_gamma                90
_cell_volume                     2573.64(13)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    36539
_cell_measurement_theta_min      1.590
_cell_measurement_theta_max      30.568

_exptl_crystal_description       prism
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.897
_exptl_crystal_F_000             1432
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.31
_exptl_absorpt_coefficient_mu    1.879
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.495
_exptl_absorpt_correction_T_max  0.559
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Breeze CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_reflns_number            36539
_diffrn_reflns_av_unetI/netI     0.0205
_diffrn_reflns_av_R_equivalents  0.0265
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_theta_min         1.590
_diffrn_reflns_theta_max         30.568
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measured_fraction_theta_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_point_group_measured_fraction_full 0.994
_reflns_number_total             7815
_reflns_number_gt                6994
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;

_computing_data_collection       'Bruker BREEZE'
_computing_cell_refinement       'Bruker BREEZE'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0704P)²+12.9333P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         7815
_refine_ls_number_parameters     345
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0448
_refine_ls_R_factor_gt           0.0398
_refine_ls_wR_factor_ref         0.1403
_refine_ls_wR_factor_gt          0.1363
_refine_ls_goodness_of_fit_ref   1.050
_refine_ls_restrained_S_all      1.050
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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
Ag1 Ag 0.64368(2) 1.47543(5) -0.04529(2) 0.03121(10) Uani 1 1 d . . . . .
Sb1 Sb -0.00546(2) 0.68772(4) 0.12269(2) 0.02576(8) Uani 1 1 d . . . . .
F1 F -0.0258(4) 0.5141(10) 0.1822(5) 0.151(4) Uani 1 1 d . . . . .
F2 F -0.0614(3) 0.5743(10) 0.0545(4) 0.115(2) Uani 1 1 d . . . . .
F3 F 0.0135(3) 0.8708(7) 0.0649(3) 0.096(2) Uani 1 1 d . . . . .
F4 F 0.0899(2) 0.5926(5) 0.0979(3) 0.0767(15) Uani 1 1 d . . . . .
F5 F -0.1001(2) 0.7883(6) 0.1492(2) 0.0661(12) Uani 1 1 d . . . . .
F6 F 0.0485(3) 0.8018(9) 0.1928(3) 0.101(2) Uani 1 1 d . . . . .
C03 C 0.8727(4) 0.1680(9) 0.0741(4) 0.0521(14) Uani 1 1 d . . . . .
H03A H 0.917113 0.092188 0.076288 0.078 Uiso 1 1 calc R U . . .
H03B H 0.878107 0.253061 0.109433 0.078 Uiso 1 1 calc R U . . .
H03C H 0.870587 0.221819 0.029611 0.078 Uiso 1 1 calc R U . . .
N4 N 0.7488(2) 1.6281(5) -0.0708(3) 0.0377(9) Uani 1 1 d . . . . .
C01 C 0.8047(3) 1.7021(6) -0.0796(3) 0.0346(9) Uani 1 1 d . . . . .
N5 N 0.7438(3) -0.0009(7) 0.0937(3) 0.0514(12) Uani 1 1 d . . . . .
C04 C 0.8004(3) 0.0727(7) 0.0847(3) 0.0398(10) Uani 1 1 d . . . . .
C05 C 0.8760(3) 1.7995(7) -0.0921(4) 0.0550(17) Uani 1 1 d . . . . .
H05A H 0.920287 1.744638 -0.070063 0.083 Uiso 1 1 calc R U . . .
H05B H 0.870071 1.912013 -0.073612 0.083 Uiso 1 1 calc R U . . .
H05C H 0.884821 1.806403 -0.140947 0.083 Uiso 1 1 calc R U . . .
N1 N 0.54905(18) 1.3049(4) 0.01356(17) 0.0207(6) Uani 1 1 d . . . . .
C7 C 0.7070(3) 1.3918(6) 0.2191(2) 0.0329(9) Uani 1 1 d . . . . .
H7A H 0.717356 1.376748 0.266005 0.039 Uiso 1 1 calc R U . . .
C8 C 0.5557(2) 1.2713(5) 0.08090(19) 0.0200(6) Uani 1 1 d . . . . .
N2 N 0.54332(19) 1.3873(4) -0.12184(18) 0.0250(6) Uani 1 1 d . . . . .
C10 C 0.4238(2) 1.1642(5) 0.0101(2) 0.0228(7) Uani 1 1 d . . . . .
H10A H 0.378864 1.133476 -0.015070 0.027 Uiso 1 1 calc R U . . .
C11 C 0.4854(2) 1.2524(4) -0.02155(19) 0.0198(6) Uani 1 1 d . . . . .
C12 C 0.3159(2) 0.9214(5) 0.0780(2) 0.0261(7) Uani 1 1 d . . . . .
H12A H 0.320043 0.915293 0.030178 0.031 Uiso 1 1 calc R U . . .
C13 C 0.6406(2) 1.3183(6) 0.1875(2) 0.0295(8) Uani 1 1 d . . . . .
H13A H 0.605652 1.253463 0.213360 0.035 Uiso 1 1 calc R U . . .
C14 C 0.3686(2) 1.0233(5) 0.1157(2) 0.0229(7) Uani 1 1 d . . . . .
N3 N 0.6761(2) 1.4353(5) 0.0789(2) 0.0278(7) Uani 1 1 d . . . . .
C16 C 0.4845(2) 1.2885(5) -0.0974(2) 0.0216(7) Uani 1 1 d . . . . .
C19 C 0.7571(3) 1.4874(6) 0.1785(3) 0.0335(9) Uani 1 1 d . . . . .
H19A H 0.801746 1.538585 0.197763 0.040 Uiso 1 1 calc R U . . .
C21 C 0.2573(3) 0.8290(6) 0.1112(3) 0.0335(9) Uani 1 1 d . . . . .
H21A H 0.222888 0.761014 0.085535 0.040 Uiso 1 1 calc R U . . .
C23 C 0.6271(2) 1.3429(5) 0.1173(2) 0.0217(6) Uani 1 1 d . . . . .
C24 C 0.4266(3) 1.2223(5) -0.1418(2) 0.0278(8) Uani 1 1 d . . . . .
H24A H 0.386225 1.154637 -0.124601 0.033 Uiso 1 1 calc R U . . .
C25 C 0.4308(2) 1.1229(5) 0.0803(2) 0.0209(6) Uani 1 1 d . . . . .
C29 C 0.4906(3) 1.3579(6) -0.2367(2) 0.0337(9) Uani 1 1 d . . . . .
H29A H 0.494250 1.382849 -0.283564 0.040 Uiso 1 1 calc R U . . .
C30 C 0.3607(3) 1.0305(6) 0.1873(2) 0.0330(9) Uani 1 1 d . . . . .
H30A H 0.395124 1.097435 0.213402 0.040 Uiso 1 1 calc R U . . .
C31 C 0.4988(2) 1.1765(5) 0.1160(2) 0.0222(7) Uani 1 1 d . . . . .
H31A H 0.506075 1.149384 0.162381 0.027 Uiso 1 1 calc R U . . .
C33 C 0.7395(2) 1.5058(6) 0.1088(3) 0.0325(9) Uani 1 1 d . . . . .
H33A H 0.773393 1.570038 0.081697 0.039 Uiso 1 1 calc R U . . .
C36 C 0.3019(3) 0.9387(7) 0.2200(3) 0.0414(11) Uani 1 1 d . . . . .
H36A H 0.297201 0.944570 0.267745 0.050 Uiso 1 1 calc R U . . .
C38 C 0.4297(3) 1.2583(6) -0.2118(2) 0.0319(8) Uani 1 1 d . . . . .
H38A H 0.391124 1.215981 -0.241803 0.038 Uiso 1 1 calc R U . . .
C40 C 0.5457(3) 1.4188(6) -0.1895(2) 0.0303(8) Uani 1 1 d . . . . .
H40A H 0.586775 1.485590 -0.205932 0.036 Uiso 1 1 calc R U . . .
C42 C 0.2502(3) 0.8380(7) 0.1817(3) 0.0405(11) Uani 1 1 d . . . . .
H42A H 0.210758 0.776752 0.203707 0.049 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
Ag1 N4 2.206(4) . ?
Ag1 N2 2.344(4) . ?
Ag1 N1 2.387(3) . ?
Ag1 N3 2.479(4) . ?
Sb1 F1 1.822(5) . ?
Sb1 F2 1.844(5) . ?
Sb1 F4 1.845(3) . ?
Sb1 F3 1.853(4) . ?
Sb1 F6 1.858(4) . ?
Sb1 F5 1.862(3) . ?
C03 C04 1.450(8) . ?
C03 H03A 0.9600 . ?
C03 H03B 0.9600 . ?
C03 H03C 0.9600 . ?
N4 C01 1.125(6) . ?
C01 C05 1.451(7) . ?
N5 C04 1.134(8) . ?
C05 H05A 0.9600 . ?
C05 H05B 0.9600 . ?
C05 H05C 0.9600 . ?
N1 C11 1.331(5) . ?
N1 C8 1.333(5) . ?
C7 C19 1.383(7) . ?
C7 C13 1.398(6) . ?
C7 H7A 0.9300 . ?
C8 C31 1.400(5) . ?
C8 C23 1.499(5) . ?
N2 C40 1.334(5) . ?
N2 C16 1.352(5) . ?
C10 C25 1.399(5) . ?
C10 C11 1.399(5) . ?
C10 H10A 0.9300 . ?
C11 C16 1.494(5) . ?
C12 C21 1.392(6) . ?
C12 C14 1.398(6) . ?
C12 H12A 0.9300 . ?
C13 C23 1.389(6) . ?
C13 H13A 0.9300 . ?
C14 C30 1.394(6) . ?
C14 C25 1.486(5) . ?
N3 C33 1.333(5) . ?
N3 C23 1.335(5) . ?
C16 C24 1.398(6) . ?
C19 C33 1.386(7) . ?
C19 H19A 0.9300 . ?
C21 C42 1.372(8) . ?
C21 H21A 0.9300 . ?
C24 C38 1.384(6) . ?
C24 H24A 0.9300 . ?
C25 C31 1.400(5) . ?
C29 C40 1.383(7) . ?
C29 C38 1.385(7) . ?
C29 H29A 0.9300 . ?
C30 C36 1.386(6) . ?
C30 H30A 0.9300 . ?
C31 H31A 0.9300 . ?
C33 H33A 0.9300 . ?
C36 C42 1.389(8) . ?
C36 H36A 0.9300 . ?
C38 H38A 0.9300 . ?
C40 H40A 0.9300 . ?
C42 H42A 0.9300 . ?

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
N4 Ag1 N2 126.78(15) . . ?
N4 Ag1 N1 163.54(15) . . ?
N2 Ag1 N1 69.58(12) . . ?
N4 Ag1 N3 96.70(15) . . ?
N2 Ag1 N3 136.49(12) . . ?
N1 Ag1 N3 66.91(11) . . ?
F1 Sb1 F2 89.5(4) . . ?
F1 Sb1 F4 91.8(3) . . ?
F2 Sb1 F4 93.5(3) . . ?
F1 Sb1 F3 177.5(4) . . ?
F2 Sb1 F3 92.0(4) . . ?
F4 Sb1 F3 90.0(2) . . ?
F1 Sb1 F6 89.7(4) . . ?
F2 Sb1 F6 178.5(3) . . ?
F4 Sb1 F6 87.8(2) . . ?
F3 Sb1 F6 88.8(3) . . ?
F1 Sb1 F5 88.6(3) . . ?
F2 Sb1 F5 88.1(3) . . ?
F4 Sb1 F5 178.3(2) . . ?
F3 Sb1 F5 89.5(2) . . ?
F6 Sb1 F5 90.5(2) . . ?
C04 C03 H03A 109.5 . . ?
C04 C03 H03B 109.5 . . ?
H03A C03 H03B 109.5 . . ?
C04 C03 H03C 109.5 . . ?
H03A C03 H03C 109.5 . . ?
H03B C03 H03C 109.5 . . ?
C01 N4 Ag1 175.1(5) . . ?
N4 C01 C05 178.8(6) . . ?
N5 C04 C03 179.3(7) . . ?
C01 C05 H05A 109.5 . . ?
C01 C05 H05B 109.5 . . ?
H05A C05 H05B 109.5 . . ?
C01 C05 H05C 109.5 . . ?
H05A C05 H05C 109.5 . . ?
H05B C05 H05C 109.5 . . ?
C11 N1 C8 119.7(3) . . ?
C11 N1 Ag1 118.2(2) . . ?
C8 N1 Ag1 121.9(2) . . ?
C19 C7 C13 118.1(4) . . ?
C19 C7 H7A 120.9 . . ?
C13 C7 H7A 120.9 . . ?
N1 C8 C31 121.9(3) . . ?
N1 C8 C23 116.3(3) . . ?
C31 C8 C23 121.8(3) . . ?
C40 N2 C16 118.8(4) . . ?
C40 N2 Ag1 122.4(3) . . ?
C16 N2 Ag1 118.6(3) . . ?
C25 C10 C11 119.0(3) . . ?
C25 C10 H10A 120.5 . . ?
C11 C10 H10A 120.5 . . ?
N1 C11 C10 122.1(3) . . ?
N1 C11 C16 116.1(3) . . ?
C10 C11 C16 121.7(3) . . ?
C21 C12 C14 120.7(4) . . ?
C21 C12 H12A 119.6 . . ?
C14 C12 H12A 119.6 . . ?
C23 C13 C7 119.4(4) . . ?
C23 C13 H13A 120.3 . . ?
C7 C13 H13A 120.3 . . ?
C30 C14 C12 118.3(4) . . ?
C30 C14 C25 121.0(4) . . ?
C12 C14 C25 120.7(4) . . ?
C33 N3 C23 119.2(4) . . ?
C33 N3 Ag1 122.3(3) . . ?
C23 N3 Ag1 118.5(3) . . ?
N2 C16 C24 120.8(4) . . ?
N2 C16 C11 117.0(3) . . ?
C24 C16 C11 122.2(3) . . ?
C7 C19 C33 119.0(4) . . ?
C7 C19 H19A 120.5 . . ?
C33 C19 H19A 120.5 . . ?
C42 C21 C12 120.2(4) . . ?
C42 C21 H21A 119.9 . . ?
C12 C21 H21A 119.9 . . ?
N3 C23 C13 121.6(4) . . ?
N3 C23 C8 116.4(3) . . ?
C13 C23 C8 122.0(3) . . ?
C38 C24 C16 119.4(4) . . ?
C38 C24 H24A 120.3 . . ?
C16 C24 H24A 120.3 . . ?
C10 C25 C31 117.9(3) . . ?
C10 C25 C14 121.2(3) . . ?
C31 C25 C14 120.9(3) . . ?
C40 C29 C38 117.6(4) . . ?
C40 C29 H29A 121.2 . . ?
C38 C29 H29A 121.2 . . ?
C36 C30 C14 120.6(5) . . ?
C36 C30 H30A 119.7 . . ?
C14 C30 H30A 119.7 . . ?
C8 C31 C25 119.2(3) . . ?
C8 C31 H31A 120.4 . . ?
C25 C31 H31A 120.4 . . ?
N3 C33 C19 122.7(4) . . ?
N3 C33 H33A 118.7 . . ?
C19 C33 H33A 118.7 . . ?
C30 C36 C42 120.3(5) . . ?
C30 C36 H36A 119.9 . . ?
C42 C36 H36A 119.9 . . ?
C24 C38 C29 119.6(4) . . ?
C24 C38 H38A 120.2 . . ?
C29 C38 H38A 120.2 . . ?
N2 C40 C29 123.8(4) . . ?
N2 C40 H40A 118.1 . . ?
C29 C40 H40A 118.1 . . ?
C21 C42 C36 119.8(4) . . ?
C21 C42 H42A 120.1 . . ?
C36 C42 H42A 120.1 . . ?

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
C11 N1 C8 C31 2.2(5) . . . . ?
Ag1 N1 C8 C31 177.7(3) . . . . ?
C11 N1 C8 C23 -176.9(3) . . . . ?
Ag1 N1 C8 C23 -1.5(4) . . . . ?
C8 N1 C11 C10 1.0(5) . . . . ?
Ag1 N1 C11 C10 -174.5(3) . . . . ?
C8 N1 C11 C16 -177.3(3) . . . . ?
Ag1 N1 C11 C16 7.2(4) . . . . ?
C25 C10 C11 N1 -3.0(5) . . . . ?
C25 C10 C11 C16 175.2(3) . . . . ?
C19 C7 C13 C23 0.2(7) . . . . ?
C21 C12 C14 C30 -0.2(6) . . . . ?
C21 C12 C14 C25 -179.6(4) . . . . ?
C40 N2 C16 C24 -0.9(6) . . . . ?
Ag1 N2 C16 C24 -175.3(3) . . . . ?
C40 N2 C16 C11 178.3(3) . . . . ?
Ag1 N2 C16 C11 4.0(4) . . . . ?
N1 C11 C16 N2 -7.4(5) . . . . ?
C10 C11 C16 N2 174.3(3) . . . . ?
N1 C11 C16 C24 171.8(4) . . . . ?
C10 C11 C16 C24 -6.5(6) . . . . ?
C13 C7 C19 C33 -0.2(7) . . . . ?
C14 C12 C21 C42 0.5(7) . . . . ?
C33 N3 C23 C13 -0.1(6) . . . . ?
Ag1 N3 C23 C13 -178.5(3) . . . . ?
C33 N3 C23 C8 178.4(4) . . . . ?
Ag1 N3 C23 C8 -0.1(4) . . . . ?
C7 C13 C23 N3 0.0(6) . . . . ?
C7 C13 C23 C8 -178.4(4) . . . . ?
N1 C8 C23 N3 1.0(5) . . . . ?
C31 C8 C23 N3 -178.1(4) . . . . ?
N1 C8 C23 C13 179.4(4) . . . . ?
C31 C8 C23 C13 0.3(6) . . . . ?
N2 C16 C24 C38 0.2(6) . . . . ?
C11 C16 C24 C38 -179.0(4) . . . . ?
C11 C10 C25 C31 1.7(5) . . . . ?
C11 C10 C25 C14 -177.5(3) . . . . ?
C30 C14 C25 C10 -158.0(4) . . . . ?
C12 C14 C25 C10 21.3(5) . . . . ?
C30 C14 C25 C31 22.9(6) . . . . ?
C12 C14 C25 C31 -157.8(4) . . . . ?
C12 C14 C30 C36 0.0(7) . . . . ?
C25 C14 C30 C36 179.3(4) . . . . ?
N1 C8 C31 C25 -3.5(6) . . . . ?
C23 C8 C31 C25 175.6(3) . . . . ?
C10 C25 C31 C8 1.4(5) . . . . ?
C14 C25 C31 C8 -179.5(3) . . . . ?
C23 N3 C33 C19 0.0(7) . . . . ?
Ag1 N3 C33 C19 178.4(4) . . . . ?
C7 C19 C33 N3 0.2(8) . . . . ?
C14 C30 C36 C42 0.1(8) . . . . ?
C16 C24 C38 C29 0.6(7) . . . . ?
C40 C29 C38 C24 -0.7(7) . . . . ?
C16 N2 C40 C29 0.9(7) . . . . ?
Ag1 N2 C40 C29 175.0(4) . . . . ?
C38 C29 C40 N2 -0.1(7) . . . . ?
C12 C21 C42 C36 -0.4(8) . . . . ?
C30 C36 C42 C21 0.1(8) . . . . ?

_refine_diff_density_max         1.325
_refine_diff_density_min         -0.746
_refine_diff_density_rms         0.141



####################################################################### 
# 
# 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_D
_database_code_depnum_ccdc_archive 'CCDC 1978073'
_audit_update_record             
;
2020-01-15 deposited with the CCDC.	2023-06-13 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C24 H20 Ag F6 N4 O2 S Sb'
_chemical_formula_sum            'C24 H20 Ag F6 N4 O2 S Sb'
_chemical_formula_weight         772.12

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'
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'
Ag Ag -0.8971 1.1015 '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'
S S 0.1246 0.1234 '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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 2/c'
_space_group_name_Hall           '-C 2yc'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   18.4976(10)
_cell_length_b                   22.3233(11)
_cell_length_c                   13.8633(8)
_cell_angle_alpha                90
_cell_angle_beta                 106.210(6)
_cell_angle_gamma                90
_cell_volume                     5496.9(5)
_cell_formula_units_Z            8
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    13860
_cell_measurement_theta_min      3.060
_cell_measurement_theta_max      29.361

_exptl_crystal_description       prism
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.866
_exptl_crystal_F_000             3008
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.49
_exptl_crystal_size_mid          0.46
_exptl_crystal_size_min          0.35
_exptl_absorpt_coefficient_mu    1.841
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.55419
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'SuperNova (Mo) X-ray Source'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 10.3818
_diffrn_reflns_number            13860
_diffrn_reflns_av_unetI/netI     0.0231
_diffrn_reflns_av_R_equivalents  0.0185
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         3.060
_diffrn_reflns_theta_max         29.361
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.847
_diffrn_measured_fraction_theta_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.847
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.847
_diffrn_reflns_point_group_measured_fraction_full 0.995
_reflns_number_total             6397
_reflns_number_gt                4787
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;

_computing_data_collection       'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)'
_computing_cell_refinement       'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)'
_computing_data_reduction        'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Diamond 3.2 (2012)'
_computing_publication_material  'SHELXL2018 and PLATON (Spek, 2009)'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0726P)²+8.7836P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         6397
_refine_ls_number_parameters     353
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0602
_refine_ls_R_factor_gt           0.0438
_refine_ls_wR_factor_ref         0.1365
_refine_ls_wR_factor_gt          0.1240
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_restrained_S_all      1.036
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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
Ag1 Ag -0.13550(2) 0.51935(2) 0.02785(3) 0.06844(14) Uani 1 1 d . . . . .
Sb1 Sb 0.19077(2) 0.20133(2) 0.20374(3) 0.07736(15) Uani 1 1 d . . . . .
S1 S 0.45189(6) 0.40075(5) 0.46326(11) 0.0767(4) Uani 1 1 d . . . . .
F1 F 0.1285(4) 0.2652(3) 0.1912(5) 0.205(3) Uani 1 1 d . . . . .
F2 F 0.2597(2) 0.14139(19) 0.2179(5) 0.175(3) Uani 1 1 d . . . . .
F3 F 0.1215(3) 0.1547(3) 0.1214(6) 0.227(4) Uani 1 1 d . . . . .
F5 F 0.2665(4) 0.2472(2) 0.2819(5) 0.212(4) Uani 1 1 d . . . . .
O1 O 0.4589(2) 0.33816(16) 0.4486(4) 0.1226(18) Uani 1 1 d . . . . .
O2 O 0.50432(19) 0.44039(17) 0.4363(3) 0.0901(11) Uani 1 1 d . . . . .
N1 N -0.0612(2) 0.60950(16) 0.0839(3) 0.0631(9) Uani 1 1 d . . . . .
N2 N -0.00997(17) 0.49692(14) 0.1191(2) 0.0449(6) Uani 1 1 d . . . . .
N3 N -0.11478(19) 0.41499(17) 0.0344(3) 0.0587(8) Uani 1 1 d . . . . .
N4 N -0.2440(3) 0.5612(3) -0.0418(4) 0.0970(15) Uani 1 1 d . . . . .
C1 C -0.0872(3) 0.6647(2) 0.0620(4) 0.0786(14) Uani 1 1 d . . . . .
H1B H -0.137767 0.669342 0.027590 0.094 Uiso 1 1 calc R U . . .
C2 C -0.0443(3) 0.7152(2) 0.0868(4) 0.0812(14) Uani 1 1 d . . . . .
H2B H -0.064626 0.752948 0.067608 0.097 Uiso 1 1 calc R U . . .
C3 C 0.0291(3) 0.7087(2) 0.1406(4) 0.0737(13) Uani 1 1 d . . . . .
H3A H 0.059606 0.742160 0.160434 0.088 Uiso 1 1 calc R U . . .
C4 C 0.0577(2) 0.65203(18) 0.1652(3) 0.0587(10) Uani 1 1 d . . . . .
H4A H 0.107735 0.646853 0.201579 0.070 Uiso 1 1 calc R U . . .
C5 C 0.0117(2) 0.60320(17) 0.1355(3) 0.0510(8) Uani 1 1 d . . . . .
C6 C 0.0397(2) 0.54043(16) 0.1550(3) 0.0441(7) Uani 1 1 d . . . . .
C7 C 0.1134(2) 0.52751(16) 0.2084(3) 0.0468(8) Uani 1 1 d . . . . .
H7A H 0.146652 0.558471 0.234961 0.056 Uiso 1 1 calc R U . . .
C8 C 0.13770(19) 0.46817(15) 0.2222(2) 0.0418(7) Uani 1 1 d . . . . .
C9 C 0.0849(2) 0.42445(16) 0.1807(3) 0.0487(8) Uani 1 1 d . . . . .
H9A H 0.098952 0.384322 0.185939 0.058 Uiso 1 1 calc R U . . .
C10 C 0.0113(2) 0.44009(16) 0.1315(3) 0.0451(7) Uani 1 1 d . . . . .
C11 C -0.0480(2) 0.39419(18) 0.0910(3) 0.0521(8) Uani 1 1 d . . . . .
C12 C -0.0359(3) 0.3339(2) 0.1101(4) 0.0673(11) Uani 1 1 d . . . . .
H12A H 0.010499 0.320404 0.149495 0.081 Uiso 1 1 calc R U . . .
C13 C -0.0929(3) 0.2937(2) 0.0706(5) 0.0832(15) Uani 1 1 d . . . . .
H13A H -0.085713 0.252881 0.083340 0.100 Uiso 1 1 calc R U . . .
C14 C -0.1599(3) 0.3148(3) 0.0125(4) 0.0836(15) Uani 1 1 d . . . . .
H14A H -0.199363 0.288593 -0.015260 0.100 Uiso 1 1 calc R U . . .
C15 C -0.1685(3) 0.3747(2) -0.0044(4) 0.0735(13) Uani 1 1 d . . . . .
H15A H -0.214351 0.388430 -0.045277 0.088 Uiso 1 1 calc R U . . .
C16 C 0.2155(2) 0.45265(15) 0.2802(3) 0.0451(7) Uani 1 1 d . . . . .
C17 C 0.2352(2) 0.39397(17) 0.3063(4) 0.0634(11) Uani 1 1 d . . . . .
H17A H 0.199190 0.364005 0.286369 0.076 Uiso 1 1 calc R U . . .
C18 C 0.3068(3) 0.37892(18) 0.3611(4) 0.0692(12) Uani 1 1 d . . . . .
H18A H 0.319008 0.338976 0.376461 0.083 Uiso 1 1 calc R U . . .
C19 C 0.3597(2) 0.42190(17) 0.3929(3) 0.0586(10) Uani 1 1 d . . . . .
C20 C 0.3422(3) 0.48058(19) 0.3692(5) 0.0872(18) Uani 1 1 d . . . . .
H20A H 0.378476 0.510247 0.390720 0.105 Uiso 1 1 calc R U . . .
C21 C 0.2705(3) 0.49533(19) 0.3132(5) 0.0801(16) Uani 1 1 d . . . . .
H21A H 0.258907 0.535308 0.297184 0.096 Uiso 1 1 calc R U . . .
C23 C -0.2919(3) 0.5921(3) -0.0756(4) 0.0837(15) Uani 1 1 d . . . . .
C24 C -0.3533(4) 0.6328(4) -0.1200(6) 0.117(2) Uani 1 1 d . . . . .
H24A H -0.382382 0.639669 -0.073494 0.175 Uiso 1 1 calc R U . . .
H24B H -0.384946 0.615511 -0.180578 0.175 Uiso 1 1 calc R U . . .
H24C H -0.333357 0.670166 -0.135424 0.175 Uiso 1 1 calc R U . . .
C22 C 0.4548(4) 0.4145(3) 0.5883(5) 0.1018(19) Uani 1 1 d . . . . .
H22A H 0.450017 0.456749 0.598006 0.153 Uiso 1 1 calc R U . . .
H22B H 0.414072 0.393764 0.604115 0.153 Uiso 1 1 calc R U . . .
H22C H 0.501817 0.400577 0.631488 0.153 Uiso 1 1 calc R U . . .
F6 F 0.1732(4) 0.1756(4) 0.3168(6) 0.236(4) Uani 1 1 d . . . . .
F4 F 0.2116(5) 0.2278(5) 0.0893(6) 0.247(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
Ag1 N4 2.179(5) . ?
Ag1 N3 2.359(4) . ?
Ag1 N2 2.367(3) . ?
Ag1 N1 2.438(4) . ?
Sb1 F6 1.782(7) . ?
Sb1 F3 1.792(5) . ?
Sb1 F1 1.812(4) . ?
Sb1 F2 1.821(4) . ?
Sb1 F5 1.827(4) . ?
Sb1 F4 1.832(7) . ?
S1 O1 1.423(4) . ?
S1 O2 1.437(4) . ?
S1 C22 1.746(7) . ?
S1 C19 1.776(4) . ?
N1 C1 1.327(6) . ?
N1 C5 1.346(5) . ?
N2 C10 1.325(5) . ?
N2 C6 1.334(5) . ?
N3 C15 1.338(6) . ?
N3 C11 1.348(5) . ?
N4 C23 1.118(7) . ?
C1 C2 1.366(8) . ?
C1 H1B 0.9300 . ?
C2 C3 1.362(7) . ?
C2 H2B 0.9300 . ?
C3 C4 1.377(6) . ?
C3 H3A 0.9300 . ?
C4 C5 1.373(6) . ?
C4 H4A 0.9300 . ?
C5 C6 1.493(5) . ?
C6 C7 1.388(5) . ?
C7 C8 1.395(5) . ?
C7 H7A 0.9300 . ?
C8 C9 1.387(5) . ?
C8 C16 1.480(5) . ?
C9 C10 1.387(5) . ?
C9 H9A 0.9300 . ?
C10 C11 1.491(5) . ?
C11 C12 1.378(6) . ?
C12 C13 1.376(7) . ?
C12 H12A 0.9300 . ?
C13 C14 1.361(8) . ?
C13 H13A 0.9300 . ?
C14 C15 1.359(8) . ?
C14 H14A 0.9300 . ?
C15 H15A 0.9300 . ?
C16 C21 1.376(6) . ?
C16 C17 1.381(5) . ?
C17 C18 1.371(6) . ?
C17 H17A 0.9300 . ?
C18 C19 1.353(6) . ?
C18 H18A 0.9300 . ?
C19 C20 1.367(6) . ?
C20 C21 1.378(7) . ?
C20 H20A 0.9300 . ?
C21 H21A 0.9300 . ?
C23 C24 1.451(8) . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?

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
N4 Ag1 N3 124.08(18) . . ?
N4 Ag1 N2 166.39(17) . . ?
N3 Ag1 N2 69.25(11) . . ?
N4 Ag1 N1 98.88(18) . . ?
N3 Ag1 N1 137.04(11) . . ?
N2 Ag1 N1 67.84(11) . . ?
F6 Sb1 F3 95.7(5) . . ?
F6 Sb1 F1 94.0(4) . . ?
F3 Sb1 F1 94.2(3) . . ?
F6 Sb1 F2 87.9(4) . . ?
F3 Sb1 F2 89.8(3) . . ?
F1 Sb1 F2 175.3(3) . . ?
F6 Sb1 F5 87.5(4) . . ?
F3 Sb1 F5 175.5(4) . . ?
F1 Sb1 F5 88.7(3) . . ?
F2 Sb1 F5 87.2(2) . . ?
F6 Sb1 F4 178.4(4) . . ?
F3 Sb1 F4 85.5(4) . . ?
F1 Sb1 F4 86.8(4) . . ?
F2 Sb1 F4 91.2(4) . . ?
F5 Sb1 F4 91.2(4) . . ?
O1 S1 O2 118.2(3) . . ?
O1 S1 C22 109.6(3) . . ?
O2 S1 C22 108.3(3) . . ?
O1 S1 C19 107.1(2) . . ?
O2 S1 C19 107.9(2) . . ?
C22 S1 C19 104.9(3) . . ?
C1 N1 C5 117.6(4) . . ?
C1 N1 Ag1 123.9(3) . . ?
C5 N1 Ag1 118.4(3) . . ?
C10 N2 C6 120.0(3) . . ?
C10 N2 Ag1 118.9(2) . . ?
C6 N2 Ag1 121.1(2) . . ?
C15 N3 C11 117.4(4) . . ?
C15 N3 Ag1 123.7(3) . . ?
C11 N3 Ag1 118.4(3) . . ?
C23 N4 Ag1 167.1(6) . . ?
N1 C1 C2 124.2(5) . . ?
N1 C1 H1B 117.9 . . ?
C2 C1 H1B 117.9 . . ?
C3 C2 C1 118.0(4) . . ?
C3 C2 H2B 121.0 . . ?
C1 C2 H2B 121.0 . . ?
C2 C3 C4 119.3(5) . . ?
C2 C3 H3A 120.4 . . ?
C4 C3 H3A 120.4 . . ?
C5 C4 C3 119.5(4) . . ?
C5 C4 H4A 120.2 . . ?
C3 C4 H4A 120.2 . . ?
N1 C5 C4 121.4(4) . . ?
N1 C5 C6 116.1(4) . . ?
C4 C5 C6 122.4(3) . . ?
N2 C6 C7 121.3(3) . . ?
N2 C6 C5 116.6(3) . . ?
C7 C6 C5 122.1(3) . . ?
C6 C7 C8 120.1(3) . . ?
C6 C7 H7A 120.0 . . ?
C8 C7 H7A 120.0 . . ?
C9 C8 C7 116.7(3) . . ?
C9 C8 C16 121.7(3) . . ?
C7 C8 C16 121.6(3) . . ?
C10 C9 C8 120.5(3) . . ?
C10 C9 H9A 119.7 . . ?
C8 C9 H9A 119.7 . . ?
N2 C10 C9 121.3(3) . . ?
N2 C10 C11 116.7(3) . . ?
C9 C10 C11 122.0(3) . . ?
N3 C11 C12 121.4(4) . . ?
N3 C11 C10 116.1(4) . . ?
C12 C11 C10 122.5(4) . . ?
C13 C12 C11 119.7(5) . . ?
C13 C12 H12A 120.1 . . ?
C11 C12 H12A 120.1 . . ?
C14 C13 C12 118.7(5) . . ?
C14 C13 H13A 120.7 . . ?
C12 C13 H13A 120.7 . . ?
C15 C14 C13 119.1(5) . . ?
C15 C14 H14A 120.5 . . ?
C13 C14 H14A 120.5 . . ?
N3 C15 C14 123.7(5) . . ?
N3 C15 H15A 118.2 . . ?
C14 C15 H15A 118.2 . . ?
C21 C16 C17 116.9(4) . . ?
C21 C16 C8 122.3(3) . . ?
C17 C16 C8 120.7(3) . . ?
C18 C17 C16 121.4(4) . . ?
C18 C17 H17A 119.3 . . ?
C16 C17 H17A 119.3 . . ?
C19 C18 C17 120.3(4) . . ?
C19 C18 H18A 119.8 . . ?
C17 C18 H18A 119.8 . . ?
C18 C19 C20 120.0(4) . . ?
C18 C19 S1 119.1(3) . . ?
C20 C19 S1 120.8(3) . . ?
C19 C20 C21 119.3(4) . . ?
C19 C20 H20A 120.3 . . ?
C21 C20 H20A 120.3 . . ?
C16 C21 C20 121.9(4) . . ?
C16 C21 H21A 119.0 . . ?
C20 C21 H21A 119.0 . . ?
N4 C23 C24 179.1(8) . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
S1 C22 H22A 109.5 . . ?
S1 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
S1 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?

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
C5 N1 C1 C2 1.3(8) . . . . ?
Ag1 N1 C1 C2 -174.9(4) . . . . ?
N1 C1 C2 C3 -2.5(9) . . . . ?
C1 C2 C3 C4 1.8(8) . . . . ?
C2 C3 C4 C5 -0.3(7) . . . . ?
C1 N1 C5 C4 0.4(6) . . . . ?
Ag1 N1 C5 C4 176.9(3) . . . . ?
C1 N1 C5 C6 -177.5(4) . . . . ?
Ag1 N1 C5 C6 -1.0(4) . . . . ?
C3 C4 C5 N1 -0.9(6) . . . . ?
C3 C4 C5 C6 176.9(4) . . . . ?
C10 N2 C6 C7 -2.0(5) . . . . ?
Ag1 N2 C6 C7 -179.9(2) . . . . ?
C10 N2 C6 C5 178.5(3) . . . . ?
Ag1 N2 C6 C5 0.6(4) . . . . ?
N1 C5 C6 N2 0.3(5) . . . . ?
C4 C5 C6 N2 -177.6(3) . . . . ?
N1 C5 C6 C7 -179.2(3) . . . . ?
C4 C5 C6 C7 2.9(5) . . . . ?
N2 C6 C7 C8 2.4(5) . . . . ?
C5 C6 C7 C8 -178.1(3) . . . . ?
C6 C7 C8 C9 -0.2(5) . . . . ?
C6 C7 C8 C16 -178.9(3) . . . . ?
C7 C8 C9 C10 -2.3(5) . . . . ?
C16 C8 C9 C10 176.4(3) . . . . ?
C6 N2 C10 C9 -0.6(5) . . . . ?
Ag1 N2 C10 C9 177.3(3) . . . . ?
C6 N2 C10 C11 178.7(3) . . . . ?
Ag1 N2 C10 C11 -3.3(4) . . . . ?
C8 C9 C10 N2 2.8(5) . . . . ?
C8 C9 C10 C11 -176.5(3) . . . . ?
C15 N3 C11 C12 -1.4(6) . . . . ?
Ag1 N3 C11 C12 170.4(3) . . . . ?
C15 N3 C11 C10 178.8(4) . . . . ?
Ag1 N3 C11 C10 -9.4(4) . . . . ?
N2 C10 C11 N3 8.4(5) . . . . ?
C9 C10 C11 N3 -172.3(3) . . . . ?
N2 C10 C11 C12 -171.4(4) . . . . ?
C9 C10 C11 C12 7.9(6) . . . . ?
N3 C11 C12 C13 0.2(7) . . . . ?
C10 C11 C12 C13 180.0(4) . . . . ?
C11 C12 C13 C14 0.6(8) . . . . ?
C12 C13 C14 C15 -0.1(9) . . . . ?
C11 N3 C15 C14 1.9(7) . . . . ?
Ag1 N3 C15 C14 -169.4(4) . . . . ?
C13 C14 C15 N3 -1.2(8) . . . . ?
C9 C8 C16 C21 173.3(4) . . . . ?
C7 C8 C16 C21 -8.0(6) . . . . ?
C9 C8 C16 C17 -8.7(5) . . . . ?
C7 C8 C16 C17 169.9(4) . . . . ?
C21 C16 C17 C18 -1.1(7) . . . . ?
C8 C16 C17 C18 -179.2(4) . . . . ?
C16 C17 C18 C19 1.5(8) . . . . ?
C17 C18 C19 C20 -1.0(8) . . . . ?
C17 C18 C19 S1 -179.7(4) . . . . ?
O1 S1 C19 C18 16.7(5) . . . . ?
O2 S1 C19 C18 145.0(4) . . . . ?
C22 S1 C19 C18 -99.7(5) . . . . ?
O1 S1 C19 C20 -162.0(5) . . . . ?
O2 S1 C19 C20 -33.7(5) . . . . ?
C22 S1 C19 C20 81.6(5) . . . . ?
C18 C19 C20 C21 0.3(9) . . . . ?
S1 C19 C20 C21 178.9(5) . . . . ?
C17 C16 C21 C20 0.4(8) . . . . ?
C8 C16 C21 C20 178.4(5) . . . . ?
C19 C20 C21 C16 0.1(10) . . . . ?

_refine_diff_density_max         1.244
_refine_diff_density_min         -1.054
_refine_diff_density_rms         0.077



####################################################################### 
# 
# 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_D_CCDC1
_database_code_depnum_ccdc_archive 'CCDC 1978075'
_audit_update_record             
;
2020-01-15 deposited with the CCDC.	2023-06-13 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C23 H17 Ag Cl F6 N4 Sb'
_chemical_formula_sum            'C23 H17 Ag Cl F6 N4 Sb'
_chemical_formula_weight         728.48

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'
N N 0.0061 0.0033 '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'
Cl Cl 0.1484 0.1585 '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'
Sb Sb -0.5866 1.5461 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   7.8110(3)
_cell_length_b                   20.7327(7)
_cell_length_c                   15.6722(5)
_cell_angle_alpha                90
_cell_angle_beta                 99.079(3)
_cell_angle_gamma                90
_cell_volume                     2506.21(15)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    15200
_cell_measurement_theta_min      2.928
_cell_measurement_theta_max      27.500

_exptl_crystal_description       prism
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.931
_exptl_crystal_F_000             1408
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.46
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.18
_exptl_absorpt_coefficient_mu    2.030
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.51867
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'SuperNova (Mo) X-ray Source'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 10.3818
_diffrn_reflns_number            15200
_diffrn_reflns_av_unetI/netI     0.0292
_diffrn_reflns_av_R_equivalents  0.0260
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         2.928
_diffrn_reflns_theta_max         27.500
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.982
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.982
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             5653
_reflns_number_gt                4254
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;

_computing_data_collection       'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_cell_refinement       'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Diamond 3.2 (2012)'
_computing_publication_material  'SHELXL2018 and PLATON (Spek, 2009)'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0484P)²+0.3448P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         5653
_refine_ls_number_parameters     326
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0529
_refine_ls_R_factor_gt           0.0351
_refine_ls_wR_factor_ref         0.0981
_refine_ls_wR_factor_gt          0.0874
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_restrained_S_all      1.049
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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
Ag1 Ag 0.51034(4) 0.49338(2) 0.34117(2) 0.07056(12) Uani 1 1 d . . . . .
Sb1 Sb 0.05708(3) 0.33049(2) 0.85484(2) 0.06141(11) Uani 1 1 d . . . . .
Cl1 Cl 1.40322(15) 0.61031(6) 0.94812(8) 0.0956(4) Uani 1 1 d . . . . .
F1 F -0.0623(5) 0.40588(15) 0.8671(2) 0.1369(12) Uani 1 1 d . . . . .
F2 F 0.2645(4) 0.37389(15) 0.8847(2) 0.1191(10) Uani 1 1 d . . . . .
F3 F 0.1798(3) 0.25471(12) 0.8449(2) 0.1025(9) Uani 1 1 d . . . . .
F4 F -0.1485(3) 0.28545(17) 0.8253(2) 0.1259(11) Uani 1 1 d . . . . .
F5 F 0.0567(5) 0.31158(18) 0.97167(19) 0.1296(12) Uani 1 1 d . . . . .
F6 F 0.0566(4) 0.35102(15) 0.74028(16) 0.1024(9) Uani 1 1 d . . . . .
N1 N 0.5686(3) 0.60662(16) 0.35200(18) 0.0607(7) Uani 1 1 d . . . . .
N2 N 0.7113(3) 0.51743(12) 0.46539(15) 0.0445(6) Uani 1 1 d . . . . .
N3 N 0.5895(3) 0.39793(14) 0.42607(17) 0.0537(7) Uani 1 1 d . . . . .
N4 N 0.3410(5) 0.4661(2) 0.2229(2) 0.0975(13) Uani 1 1 d . . . . .
C1 C 0.4949(5) 0.6498(2) 0.2938(3) 0.0752(11) Uani 1 1 d . . . . .
H1A H 0.414586 0.635260 0.247666 0.090 Uiso 1 1 calc R U . . .
C2 C 0.5321(6) 0.7141(2) 0.2991(3) 0.0780(12) Uani 1 1 d . . . . .
H2A H 0.476442 0.742602 0.257982 0.094 Uiso 1 1 calc R U . . .
C3 C 0.6516(6) 0.7358(2) 0.3651(3) 0.0789(12) Uani 1 1 d . . . . .
H3A H 0.681082 0.779302 0.369410 0.095 Uiso 1 1 calc R U . . .
C4 C 0.7283(5) 0.69226(18) 0.4258(2) 0.0649(9) Uani 1 1 d . . . . .
H4A H 0.809926 0.706192 0.471839 0.078 Uiso 1 1 calc R U . . .
C5 C 0.6837(4) 0.62807(16) 0.4181(2) 0.0491(7) Uani 1 1 d . . . . .
C6 C 0.7579(4) 0.57844(15) 0.48345(19) 0.0449(7) Uani 1 1 d . . . . .
C7 C 0.8687(4) 0.59477(15) 0.55861(19) 0.0454(7) Uani 1 1 d . . . . .
H7A H 0.902684 0.637422 0.568821 0.055 Uiso 1 1 calc R U . . .
C8 C 0.9287(3) 0.54726(15) 0.61857(19) 0.0433(6) Uani 1 1 d . . . . .
C9 C 0.8735(4) 0.48433(15) 0.6000(2) 0.0464(7) Uani 1 1 d . . . . .
H9A H 0.907217 0.451387 0.639389 0.056 Uiso 1 1 calc R U . . .
C10 C 0.7669(4) 0.47104(15) 0.52170(19) 0.0432(6) Uani 1 1 d . . . . .
C11 C 0.7114(4) 0.40373(15) 0.4956(2) 0.0462(7) Uani 1 1 d . . . . .
C12 C 0.7818(5) 0.35007(17) 0.5394(2) 0.0583(8) Uani 1 1 d . . . . .
H12A H 0.866706 0.354486 0.587755 0.070 Uiso 1 1 calc R U . . .
C13 C 0.7252(5) 0.28965(18) 0.5108(2) 0.0652(9) Uani 1 1 d . . . . .
H13A H 0.773836 0.252998 0.539061 0.078 Uiso 1 1 calc R U . . .
C14 C 0.5982(5) 0.28385(19) 0.4411(3) 0.0670(10) Uani 1 1 d . . . . .
H14A H 0.555897 0.243632 0.421773 0.080 Uiso 1 1 calc R U . . .
C15 C 0.5354(5) 0.33875(19) 0.4010(3) 0.0636(9) Uani 1 1 d . . . . .
H15A H 0.449274 0.335027 0.352939 0.076 Uiso 1 1 calc R U . . .
C16 C 1.0481(4) 0.56300(15) 0.6996(2) 0.0477(7) Uani 1 1 d . . . . .
C17 C 1.1459(4) 0.51558(16) 0.7471(2) 0.0506(7) Uani 1 1 d . . . . .
H17A H 1.137595 0.473231 0.727256 0.061 Uiso 1 1 calc R U . . .
C18 C 1.2554(4) 0.52958(17) 0.8229(2) 0.0557(8) Uani 1 1 d . . . . .
H18A H 1.319847 0.497112 0.853923 0.067 Uiso 1 1 calc R U . . .
C19 C 1.2677(5) 0.59220(19) 0.8519(2) 0.0650(9) Uani 1 1 d . . . . .
C20 C 1.1755(6) 0.6401(2) 0.8052(3) 0.0877(14) Uani 1 1 d . . . . .
H20A H 1.187647 0.682665 0.823970 0.105 Uiso 1 1 calc R U . . .
C21 C 1.0656(6) 0.62542(19) 0.7309(3) 0.0791(12) Uani 1 1 d . . . . .
H21A H 1.001135 0.658198 0.700627 0.095 Uiso 1 1 calc R U . . .
C22 C 0.2616(5) 0.4602(3) 0.1584(3) 0.0797(12) Uani 1 1 d . . . . .
C23 C 0.1585(6) 0.4537(3) 0.0739(3) 0.116(2) Uani 1 1 d . . . . .
H23A H 0.141566 0.408822 0.060108 0.174 Uiso 1 1 calc R U . . .
H23B H 0.217214 0.474018 0.031689 0.174 Uiso 1 1 calc R U . . .
H23C H 0.047963 0.474033 0.073761 0.174 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
Ag1 N4 2.176(4) . ?
Ag1 N2 2.353(2) . ?
Ag1 N1 2.393(3) . ?
Ag1 N3 2.410(3) . ?
Sb1 F6 1.845(3) . ?
Sb1 F1 1.846(3) . ?
Sb1 F2 1.848(3) . ?
Sb1 F4 1.852(3) . ?
Sb1 F3 1.860(2) . ?
Sb1 F5 1.873(3) . ?
Cl1 C19 1.741(3) . ?
N1 C5 1.336(4) . ?
N1 C1 1.342(5) . ?
N2 C10 1.331(4) . ?
N2 C6 1.334(4) . ?
N3 C11 1.334(4) . ?
N3 C15 1.337(4) . ?
N4 C22 1.106(5) . ?
C1 C2 1.363(6) . ?
C1 H1A 0.9300 . ?
C2 C3 1.357(6) . ?
C2 H2A 0.9300 . ?
C3 C4 1.378(5) . ?
C3 H3A 0.9300 . ?
C4 C5 1.376(5) . ?
C4 H4A 0.9300 . ?
C5 C6 1.502(4) . ?
C6 C7 1.389(4) . ?
C7 C8 1.391(4) . ?
C7 H7A 0.9300 . ?
C8 C9 1.390(4) . ?
C8 C16 1.489(4) . ?
C9 C10 1.398(4) . ?
C9 H9A 0.9300 . ?
C10 C11 1.499(4) . ?
C11 C12 1.375(5) . ?
C12 C13 1.379(5) . ?
C12 H12A 0.9300 . ?
C13 C14 1.360(5) . ?
C13 H13A 0.9300 . ?
C14 C15 1.355(5) . ?
C14 H14A 0.9300 . ?
C15 H15A 0.9300 . ?
C16 C21 1.383(5) . ?
C16 C17 1.387(4) . ?
C17 C18 1.382(4) . ?
C17 H17A 0.9300 . ?
C18 C19 1.374(5) . ?
C18 H18A 0.9300 . ?
C19 C20 1.369(5) . ?
C20 C21 1.367(5) . ?
C20 H20A 0.9300 . ?
C21 H21A 0.9300 . ?
C22 C23 1.444(5) . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?

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
N4 Ag1 N2 175.25(13) . . ?
N4 Ag1 N1 113.52(15) . . ?
N2 Ag1 N1 68.82(9) . . ?
N4 Ag1 N3 108.99(14) . . ?
N2 Ag1 N3 68.76(9) . . ?
N1 Ag1 N3 137.49(9) . . ?
F6 Sb1 F1 89.02(15) . . ?
F6 Sb1 F2 90.06(14) . . ?
F1 Sb1 F2 89.90(16) . . ?
F6 Sb1 F4 90.29(15) . . ?
F1 Sb1 F4 91.18(17) . . ?
F2 Sb1 F4 178.87(15) . . ?
F6 Sb1 F3 92.00(14) . . ?
F1 Sb1 F3 178.78(15) . . ?
F2 Sb1 F3 89.41(13) . . ?
F4 Sb1 F3 89.50(14) . . ?
F6 Sb1 F5 178.73(15) . . ?
F1 Sb1 F5 89.80(16) . . ?
F2 Sb1 F5 89.48(16) . . ?
F4 Sb1 F5 90.20(17) . . ?
F3 Sb1 F5 89.18(15) . . ?
C5 N1 C1 118.0(3) . . ?
C5 N1 Ag1 118.6(2) . . ?
C1 N1 Ag1 123.4(3) . . ?
C10 N2 C6 119.7(3) . . ?
C10 N2 Ag1 120.0(2) . . ?
C6 N2 Ag1 120.0(2) . . ?
C11 N3 C15 118.3(3) . . ?
C11 N3 Ag1 117.7(2) . . ?
C15 N3 Ag1 123.3(2) . . ?
C22 N4 Ag1 170.2(5) . . ?
N1 C1 C2 123.2(4) . . ?
N1 C1 H1A 118.4 . . ?
C2 C1 H1A 118.4 . . ?
C3 C2 C1 119.0(4) . . ?
C3 C2 H2A 120.5 . . ?
C1 C2 H2A 120.5 . . ?
C2 C3 C4 118.7(4) . . ?
C2 C3 H3A 120.6 . . ?
C4 C3 H3A 120.6 . . ?
C5 C4 C3 119.8(4) . . ?
C5 C4 H4A 120.1 . . ?
C3 C4 H4A 120.1 . . ?
N1 C5 C4 121.3(3) . . ?
N1 C5 C6 116.1(3) . . ?
C4 C5 C6 122.5(3) . . ?
N2 C6 C7 121.6(3) . . ?
N2 C6 C5 116.2(3) . . ?
C7 C6 C5 122.2(3) . . ?
C6 C7 C8 119.9(3) . . ?
C6 C7 H7A 120.0 . . ?
C8 C7 H7A 120.0 . . ?
C9 C8 C7 117.6(3) . . ?
C9 C8 C16 121.1(3) . . ?
C7 C8 C16 121.4(3) . . ?
C8 C9 C10 119.4(3) . . ?
C8 C9 H9A 120.3 . . ?
C10 C9 H9A 120.3 . . ?
N2 C10 C9 121.8(3) . . ?
N2 C10 C11 116.2(3) . . ?
C9 C10 C11 122.0(3) . . ?
N3 C11 C12 120.8(3) . . ?
N3 C11 C10 116.4(3) . . ?
C12 C11 C10 122.8(3) . . ?
C11 C12 C13 119.4(3) . . ?
C11 C12 H12A 120.3 . . ?
C13 C12 H12A 120.3 . . ?
C14 C13 C12 119.8(4) . . ?
C14 C13 H13A 120.1 . . ?
C12 C13 H13A 120.1 . . ?
C15 C14 C13 117.6(4) . . ?
C15 C14 H14A 121.2 . . ?
C13 C14 H14A 121.2 . . ?
N3 C15 C14 124.1(3) . . ?
N3 C15 H15A 118.0 . . ?
C14 C15 H15A 118.0 . . ?
C21 C16 C17 117.3(3) . . ?
C21 C16 C8 121.4(3) . . ?
C17 C16 C8 121.3(3) . . ?
C18 C17 C16 121.8(3) . . ?
C18 C17 H17A 119.1 . . ?
C16 C17 H17A 119.1 . . ?
C19 C18 C17 119.0(3) . . ?
C19 C18 H18A 120.5 . . ?
C17 C18 H18A 120.5 . . ?
C20 C19 C18 120.4(3) . . ?
C20 C19 Cl1 120.2(3) . . ?
C18 C19 Cl1 119.4(3) . . ?
C21 C20 C19 120.0(4) . . ?
C21 C20 H20A 120.0 . . ?
C19 C20 H20A 120.0 . . ?
C20 C21 C16 121.6(4) . . ?
C20 C21 H21A 119.2 . . ?
C16 C21 H21A 119.2 . . ?
N4 C22 C23 178.9(6) . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?

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
C5 N1 C1 C2 0.1(6) . . . . ?
Ag1 N1 C1 C2 -178.2(3) . . . . ?
N1 C1 C2 C3 1.3(7) . . . . ?
C1 C2 C3 C4 -1.5(7) . . . . ?
C2 C3 C4 C5 0.4(6) . . . . ?
C1 N1 C5 C4 -1.2(5) . . . . ?
Ag1 N1 C5 C4 177.2(3) . . . . ?
C1 N1 C5 C6 177.8(3) . . . . ?
Ag1 N1 C5 C6 -3.9(4) . . . . ?
C3 C4 C5 N1 1.0(5) . . . . ?
C3 C4 C5 C6 -177.9(3) . . . . ?
C10 N2 C6 C7 2.3(4) . . . . ?
Ag1 N2 C6 C7 176.4(2) . . . . ?
C10 N2 C6 C5 -177.6(2) . . . . ?
Ag1 N2 C6 C5 -3.6(3) . . . . ?
N1 C5 C6 N2 4.9(4) . . . . ?
C4 C5 C6 N2 -176.2(3) . . . . ?
N1 C5 C6 C7 -175.1(3) . . . . ?
C4 C5 C6 C7 3.9(5) . . . . ?
N2 C6 C7 C8 -2.3(4) . . . . ?
C5 C6 C7 C8 177.6(3) . . . . ?
C6 C7 C8 C9 -0.1(4) . . . . ?
C6 C7 C8 C16 179.7(3) . . . . ?
C7 C8 C9 C10 2.3(4) . . . . ?
C16 C8 C9 C10 -177.5(3) . . . . ?
C6 N2 C10 C9 0.0(4) . . . . ?
Ag1 N2 C10 C9 -174.0(2) . . . . ?
C6 N2 C10 C11 -178.8(3) . . . . ?
Ag1 N2 C10 C11 7.2(3) . . . . ?
C8 C9 C10 N2 -2.4(4) . . . . ?
C8 C9 C10 C11 176.4(3) . . . . ?
C15 N3 C11 C12 1.1(5) . . . . ?
Ag1 N3 C11 C12 -170.0(2) . . . . ?
C15 N3 C11 C10 -179.5(3) . . . . ?
Ag1 N3 C11 C10 9.4(3) . . . . ?
N2 C10 C11 N3 -10.9(4) . . . . ?
C9 C10 C11 N3 170.2(3) . . . . ?
N2 C10 C11 C12 168.5(3) . . . . ?
C9 C10 C11 C12 -10.4(5) . . . . ?
N3 C11 C12 C13 0.0(5) . . . . ?
C10 C11 C12 C13 -179.3(3) . . . . ?
C11 C12 C13 C14 -1.5(6) . . . . ?
C12 C13 C14 C15 1.8(6) . . . . ?
C11 N3 C15 C14 -0.8(6) . . . . ?
Ag1 N3 C15 C14 169.8(3) . . . . ?
C13 C14 C15 N3 -0.6(6) . . . . ?
C9 C8 C16 C21 -161.5(4) . . . . ?
C7 C8 C16 C21 18.6(5) . . . . ?
C9 C8 C16 C17 18.2(5) . . . . ?
C7 C8 C16 C17 -161.6(3) . . . . ?
C21 C16 C17 C18 0.6(5) . . . . ?
C8 C16 C17 C18 -179.1(3) . . . . ?
C16 C17 C18 C19 -0.1(5) . . . . ?
C17 C18 C19 C20 -1.4(6) . . . . ?
C17 C18 C19 Cl1 179.2(3) . . . . ?
C18 C19 C20 C21 2.4(7) . . . . ?
Cl1 C19 C20 C21 -178.2(4) . . . . ?
C19 C20 C21 C16 -1.9(8) . . . . ?
C17 C16 C21 C20 0.4(7) . . . . ?
C8 C16 C21 C20 -179.8(4) . . . . ?

_refine_diff_density_max         0.316
_refine_diff_density_min         -0.797
_refine_diff_density_rms         0.084



####################################################################### 
# 
# 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_D_CCDC2
_database_code_depnum_ccdc_archive 'CCDC 1978077'
_audit_update_record             
;
2020-01-15 deposited with the CCDC.	2023-06-13 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C23 H17 Ag F6 I N4 Sb'
_chemical_formula_sum            'C23 H17 Ag F6 I N4 Sb'
_chemical_formula_weight         819.93

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'
N N 0.0061 0.0033 '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'
Ag Ag -0.8971 1.1015 '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'
I I -0.4742 1.8119 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   8.0272(16)
_cell_length_b                   20.981(4)
_cell_length_c                   15.281(3)
_cell_angle_alpha                90
_cell_angle_beta                 98.44(3)
_cell_angle_gamma                90
_cell_volume                     2545.8(9)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    17692
_cell_measurement_theta_min      3.322
_cell_measurement_theta_max      28.797

_exptl_crystal_description       prism
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.139
_exptl_crystal_F_000             1552
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.46
_exptl_crystal_size_mid          0.41
_exptl_crystal_size_min          0.33
_exptl_absorpt_coefficient_mu    3.107
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.73033
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.46 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'SuperNova (Mo) X-ray Source'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 10.3818
_diffrn_reflns_number            17692
_diffrn_reflns_av_unetI/netI     0.0380
_diffrn_reflns_av_R_equivalents  0.0303
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         3.322
_diffrn_reflns_theta_max         28.797
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.891
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.891
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.891
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             5914
_reflns_number_gt                4084
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;

_computing_data_collection       'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_cell_refinement       'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Diamond 3.2 (2012)'
_computing_publication_material  'SHELXL2018 and PLATON (Spek, 2009)'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0358P)²+1.0531P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         5914
_refine_ls_number_parameters     326
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0617
_refine_ls_R_factor_gt           0.0354
_refine_ls_wR_factor_ref         0.0896
_refine_ls_wR_factor_gt          0.0744
_refine_ls_goodness_of_fit_ref   1.014
_refine_ls_restrained_S_all      1.014
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

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
Ag1 Ag 1.50917(5) 0.50127(2) 1.33985(2) 0.06553(13) Uani 1 1 d . . . . .
I1 I 2.42629(4) 0.39238(2) 1.97252(2) 0.06453(12) Uani 1 1 d . . . . .
Sb1 Sb 0.05330(4) 0.67178(2) 0.84881(2) 0.05437(11) Uani 1 1 d . . . . .
F1 F -0.0602(6) 0.59661(19) 0.8605(3) 0.1362(17) Uani 1 1 d . . . . .
F2 F 0.2558(5) 0.62936(19) 0.8749(3) 0.1164(14) Uani 1 1 d . . . . .
F3 F 0.0553(6) 0.6879(2) 0.9696(2) 0.1270(15) Uani 1 1 d . . . . .
F4 F -0.1474(4) 0.7150(2) 0.8226(3) 0.1267(16) Uani 1 1 d . . . . .
F5 F 0.0529(5) 0.65255(19) 0.7316(2) 0.1010(11) Uani 1 1 d . . . . .
F6 F 0.1706(4) 0.74695(15) 0.8401(3) 0.1023(12) Uani 1 1 d . . . . .
N1 N 1.5661(5) 0.38946(19) 1.3539(2) 0.0576(10) Uani 1 1 d . . . . .
N2 N 1.7114(4) 0.47991(16) 1.4639(2) 0.0401(8) Uani 1 1 d . . . . .
N3 N 1.5870(4) 0.59717(17) 1.4226(2) 0.0495(9) Uani 1 1 d . . . . .
N4 N 1.3406(5) 0.5286(3) 1.2227(3) 0.0889(16) Uani 1 1 d . . . . .
C1 C 1.4919(7) 0.3461(3) 1.2976(3) 0.0722(15) Uani 1 1 d . . . . .
H1A H 1.410836 0.359791 1.251604 0.087 Uiso 1 1 calc R U . . .
C2 C 1.5287(7) 0.2831(3) 1.3039(4) 0.0738(16) Uani 1 1 d . . . . .
H2A H 1.470929 0.254101 1.264488 0.089 Uiso 1 1 calc R U . . .
C3 C 1.6514(7) 0.2629(3) 1.3688(4) 0.0751(16) Uani 1 1 d . . . . .
H3A H 1.682538 0.220212 1.373055 0.090 Uiso 1 1 calc R U . . .
C4 C 1.7287(7) 0.3068(2) 1.4278(3) 0.0607(13) Uani 1 1 d . . . . .
H4A H 1.811800 0.293898 1.473258 0.073 Uiso 1 1 calc R U . . .
C5 C 1.6835(5) 0.3695(2) 1.4199(3) 0.0449(10) Uani 1 1 d . . . . .
C6 C 1.7570(5) 0.41992(19) 1.4839(3) 0.0392(9) Uani 1 1 d . . . . .
C7 C 1.8688(5) 0.40498(19) 1.5591(3) 0.0413(9) Uani 1 1 d . . . . .
H7A H 1.903013 0.363010 1.569915 0.050 Uiso 1 1 calc R U . . .
C8 C 1.9299(5) 0.45295(19) 1.6185(3) 0.0389(9) Uani 1 1 d . . . . .
C9 C 1.8736(5) 0.51505(19) 1.5974(3) 0.0418(9) Uani 1 1 d . . . . .
H9A H 1.908037 0.548382 1.635924 0.050 Uiso 1 1 calc R U . . .
C10 C 1.7669(5) 0.52708(19) 1.5195(2) 0.0386(9) Uani 1 1 d . . . . .
C11 C 1.7105(5) 0.59289(19) 1.4918(3) 0.0400(9) Uani 1 1 d . . . . .
C12 C 1.7810(6) 0.6466(2) 1.5338(3) 0.0524(11) Uani 1 1 d . . . . .
H12A H 1.866029 0.642976 1.581956 0.063 Uiso 1 1 calc R U . . .
C13 C 1.7237(7) 0.7060(2) 1.5035(3) 0.0614(13) Uani 1 1 d . . . . .
H13A H 1.771947 0.742796 1.530022 0.074 Uiso 1 1 calc R U . . .
C14 C 1.5958(6) 0.7099(2) 1.4346(3) 0.0612(13) Uani 1 1 d . . . . .
H14A H 1.552247 0.749238 1.414813 0.073 Uiso 1 1 calc R U . . .
C15 C 1.5332(6) 0.6551(2) 1.3952(3) 0.0585(12) Uani 1 1 d . . . . .
H15A H 1.448703 0.658078 1.346776 0.070 Uiso 1 1 calc R U . . .
C16 C 2.0485(5) 0.43838(19) 1.6995(3) 0.0405(9) Uani 1 1 d . . . . .
C17 C 2.1477(5) 0.48633(19) 1.7442(3) 0.0423(9) Uani 1 1 d . . . . .
H17A H 2.140547 0.527655 1.721990 0.051 Uiso 1 1 calc R U . . .
C18 C 2.2564(5) 0.4733(2) 1.8210(3) 0.0442(10) Uani 1 1 d . . . . .
H18A H 2.322196 0.505583 1.849952 0.053 Uiso 1 1 calc R U . . .
C19 C 2.2665(5) 0.4123(2) 1.8544(3) 0.0485(11) Uani 1 1 d . . . . .
C20 C 2.1736(6) 0.3639(2) 1.8106(3) 0.0685(15) Uani 1 1 d . . . . .
H20A H 2.183960 0.322390 1.832218 0.082 Uiso 1 1 calc R U . . .
C21 C 2.0642(6) 0.3775(2) 1.7338(3) 0.0626(14) Uani 1 1 d . . . . .
H21A H 1.999956 0.344773 1.704901 0.075 Uiso 1 1 calc R U . . .
C22 C 1.2529(6) 0.5361(3) 1.1599(3) 0.0662(14) Uani 1 1 d . . . . .
C23 C 1.1402(6) 0.5444(3) 1.0778(4) 0.089(2) Uani 1 1 d . . . . .
H23A H 1.181557 0.520572 1.031804 0.133 Uiso 1 1 calc R U . . .
H23B H 1.134198 0.588717 1.062284 0.133 Uiso 1 1 calc R U . . .
H23C H 1.030018 0.529271 1.084790 0.133 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
Ag1 N4 2.158(4) . ?
Ag1 N2 2.350(3) . ?
Ag1 N1 2.394(4) . ?
Ag1 N3 2.410(4) . ?
I1 C19 2.097(4) . ?
Sb1 F5 1.836(3) . ?
Sb1 F4 1.841(3) . ?
Sb1 F1 1.843(4) . ?
Sb1 F2 1.845(3) . ?
Sb1 F6 1.852(3) . ?
Sb1 F3 1.874(4) . ?
N1 C1 1.331(6) . ?
N1 C5 1.342(5) . ?
N2 C6 1.334(5) . ?
N2 C10 1.338(5) . ?
N3 C15 1.336(5) . ?
N3 C11 1.341(5) . ?
N4 C22 1.114(6) . ?
C1 C2 1.356(8) . ?
C1 H1A 0.9300 . ?
C2 C3 1.358(7) . ?
C2 H2A 0.9300 . ?
C3 C4 1.373(6) . ?
C3 H3A 0.9300 . ?
C4 C5 1.365(6) . ?
C4 H4A 0.9300 . ?
C5 C6 1.501(5) . ?
C6 C7 1.386(5) . ?
C7 C8 1.396(5) . ?
C7 H7A 0.9300 . ?
C8 C9 1.401(5) . ?
C8 C16 1.478(5) . ?
C9 C10 1.384(5) . ?
C9 H9A 0.9300 . ?
C10 C11 1.495(5) . ?
C11 C12 1.377(6) . ?
C12 C13 1.385(6) . ?
C12 H12A 0.9300 . ?
C13 C14 1.361(7) . ?
C13 H13A 0.9300 . ?
C14 C15 1.359(7) . ?
C14 H14A 0.9300 . ?
C15 H15A 0.9300 . ?
C16 C21 1.381(6) . ?
C16 C17 1.398(5) . ?
C17 C18 1.383(5) . ?
C17 H17A 0.9300 . ?
C18 C19 1.376(6) . ?
C18 H18A 0.9300 . ?
C19 C20 1.375(6) . ?
C20 C21 1.388(6) . ?
C20 H20A 0.9300 . ?
C21 H21A 0.9300 . ?
C22 C23 1.446(7) . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?

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
N4 Ag1 N2 174.08(17) . . ?
N4 Ag1 N1 115.03(18) . . ?
N2 Ag1 N1 68.95(12) . . ?
N4 Ag1 N3 107.25(18) . . ?
N2 Ag1 N3 68.95(12) . . ?
N1 Ag1 N3 137.72(12) . . ?
F5 Sb1 F4 91.14(19) . . ?
F5 Sb1 F1 88.64(19) . . ?
F4 Sb1 F1 90.8(2) . . ?
F5 Sb1 F2 88.85(18) . . ?
F4 Sb1 F2 179.3(2) . . ?
F1 Sb1 F2 89.9(2) . . ?
F5 Sb1 F6 92.57(17) . . ?
F4 Sb1 F6 90.14(18) . . ?
F1 Sb1 F6 178.5(2) . . ?
F2 Sb1 F6 89.15(18) . . ?
F5 Sb1 F3 177.68(18) . . ?
F4 Sb1 F3 90.3(2) . . ?
F1 Sb1 F3 89.6(2) . . ?
F2 Sb1 F3 89.7(2) . . ?
F6 Sb1 F3 89.21(19) . . ?
C1 N1 C5 118.1(4) . . ?
C1 N1 Ag1 123.4(4) . . ?
C5 N1 Ag1 118.5(3) . . ?
C6 N2 C10 119.9(3) . . ?
C6 N2 Ag1 119.9(2) . . ?
C10 N2 Ag1 119.8(3) . . ?
C15 N3 C11 118.4(4) . . ?
C15 N3 Ag1 123.2(3) . . ?
C11 N3 Ag1 117.5(3) . . ?
C22 N4 Ag1 172.6(6) . . ?
N1 C1 C2 123.3(5) . . ?
N1 C1 H1A 118.4 . . ?
C2 C1 H1A 118.4 . . ?
C1 C2 C3 118.8(5) . . ?
C1 C2 H2A 120.6 . . ?
C3 C2 H2A 120.6 . . ?
C2 C3 C4 118.7(5) . . ?
C2 C3 H3A 120.6 . . ?
C4 C3 H3A 120.6 . . ?
C5 C4 C3 120.0(5) . . ?
C5 C4 H4A 120.0 . . ?
C3 C4 H4A 120.0 . . ?
N1 C5 C4 121.0(4) . . ?
N1 C5 C6 115.8(4) . . ?
C4 C5 C6 123.2(4) . . ?
N2 C6 C7 121.7(4) . . ?
N2 C6 C5 116.6(3) . . ?
C7 C6 C5 121.7(4) . . ?
C6 C7 C8 120.0(4) . . ?
C6 C7 H7A 120.0 . . ?
C8 C7 H7A 120.0 . . ?
C7 C8 C9 116.7(4) . . ?
C7 C8 C16 121.2(4) . . ?
C9 C8 C16 122.1(3) . . ?
C10 C9 C8 120.4(4) . . ?
C10 C9 H9A 119.8 . . ?
C8 C9 H9A 119.8 . . ?
N2 C10 C9 121.2(4) . . ?
N2 C10 C11 116.4(3) . . ?
C9 C10 C11 122.4(4) . . ?
N3 C11 C12 121.2(4) . . ?
N3 C11 C10 116.3(4) . . ?
C12 C11 C10 122.5(4) . . ?
C11 C12 C13 119.1(4) . . ?
C11 C12 H12A 120.4 . . ?
C13 C12 H12A 120.4 . . ?
C14 C13 C12 119.3(4) . . ?
C14 C13 H13A 120.4 . . ?
C12 C13 H13A 120.4 . . ?
C15 C14 C13 118.7(4) . . ?
C15 C14 H14A 120.7 . . ?
C13 C14 H14A 120.7 . . ?
N3 C15 C14 123.3(4) . . ?
N3 C15 H15A 118.4 . . ?
C14 C15 H15A 118.4 . . ?
C21 C16 C17 117.8(4) . . ?
C21 C16 C8 121.4(4) . . ?
C17 C16 C8 120.8(4) . . ?
C18 C17 C16 121.1(4) . . ?
C18 C17 H17A 119.5 . . ?
C16 C17 H17A 119.5 . . ?
C19 C18 C17 119.6(4) . . ?
C19 C18 H18A 120.2 . . ?
C17 C18 H18A 120.2 . . ?
C20 C19 C18 120.6(4) . . ?
C20 C19 I1 119.4(3) . . ?
C18 C19 I1 120.0(3) . . ?
C19 C20 C21 119.3(4) . . ?
C19 C20 H20A 120.3 . . ?
C21 C20 H20A 120.3 . . ?
C16 C21 C20 121.5(4) . . ?
C16 C21 H21A 119.2 . . ?
C20 C21 H21A 119.2 . . ?
N4 C22 C23 178.7(7) . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?

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
C5 N1 C1 C2 0.3(8) . . . . ?
Ag1 N1 C1 C2 177.6(4) . . . . ?
N1 C1 C2 C3 -2.5(9) . . . . ?
C1 C2 C3 C4 2.7(9) . . . . ?
C2 C3 C4 C5 -1.0(8) . . . . ?
C1 N1 C5 C4 1.6(7) . . . . ?
Ag1 N1 C5 C4 -175.9(3) . . . . ?
C1 N1 C5 C6 -177.2(4) . . . . ?
Ag1 N1 C5 C6 5.3(5) . . . . ?
C3 C4 C5 N1 -1.2(7) . . . . ?
C3 C4 C5 C6 177.5(5) . . . . ?
C10 N2 C6 C7 -3.6(6) . . . . ?
Ag1 N2 C6 C7 -176.4(3) . . . . ?
C10 N2 C6 C5 177.5(3) . . . . ?
Ag1 N2 C6 C5 4.7(5) . . . . ?
N1 C5 C6 N2 -6.6(6) . . . . ?
C4 C5 C6 N2 174.6(4) . . . . ?
N1 C5 C6 C7 174.5(4) . . . . ?
C4 C5 C6 C7 -4.3(7) . . . . ?
N2 C6 C7 C8 3.3(6) . . . . ?
C5 C6 C7 C8 -177.8(4) . . . . ?
C6 C7 C8 C9 -0.5(6) . . . . ?
C6 C7 C8 C16 179.7(4) . . . . ?
C7 C8 C9 C10 -2.0(6) . . . . ?
C16 C8 C9 C10 177.8(4) . . . . ?
C6 N2 C10 C9 1.0(6) . . . . ?
Ag1 N2 C10 C9 173.8(3) . . . . ?
C6 N2 C10 C11 179.7(3) . . . . ?
Ag1 N2 C10 C11 -7.5(5) . . . . ?
C8 C9 C10 N2 1.9(6) . . . . ?
C8 C9 C10 C11 -176.8(4) . . . . ?
C15 N3 C11 C12 0.0(6) . . . . ?
Ag1 N3 C11 C12 169.6(3) . . . . ?
C15 N3 C11 C10 -179.6(4) . . . . ?
Ag1 N3 C11 C10 -10.0(5) . . . . ?
N2 C10 C11 N3 11.6(5) . . . . ?
C9 C10 C11 N3 -169.7(4) . . . . ?
N2 C10 C11 C12 -168.0(4) . . . . ?
C9 C10 C11 C12 10.8(6) . . . . ?
N3 C11 C12 C13 -0.5(7) . . . . ?
C10 C11 C12 C13 179.1(4) . . . . ?
C11 C12 C13 C14 1.9(7) . . . . ?
C12 C13 C14 C15 -2.7(8) . . . . ?
C11 N3 C15 C14 -0.9(7) . . . . ?
Ag1 N3 C15 C14 -169.9(4) . . . . ?
C13 C14 C15 N3 2.3(8) . . . . ?
C7 C8 C16 C21 -20.1(7) . . . . ?
C9 C8 C16 C21 160.1(4) . . . . ?
C7 C8 C16 C17 160.5(4) . . . . ?
C9 C8 C16 C17 -19.3(6) . . . . ?
C21 C16 C17 C18 -0.8(6) . . . . ?
C8 C16 C17 C18 178.6(4) . . . . ?
C16 C17 C18 C19 -0.4(7) . . . . ?
C17 C18 C19 C20 2.0(7) . . . . ?
C17 C18 C19 I1 -178.5(3) . . . . ?
C18 C19 C20 C21 -2.4(8) . . . . ?
I1 C19 C20 C21 178.1(4) . . . . ?
C17 C16 C21 C20 0.4(8) . . . . ?
C8 C16 C21 C20 -179.0(5) . . . . ?
C19 C20 C21 C16 1.1(9) . . . . ?

_refine_diff_density_max         0.489
_refine_diff_density_min         -0.599
_refine_diff_density_rms         0.090



####################################################################### 
# 
# 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_M_CCDC1
_database_code_depnum_ccdc_archive 'CCDC 1978074'
_audit_update_record             
;
2020-01-15 deposited with the CCDC.	2023-06-13 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C24 H20 Ag F6 N4 Sb'
_chemical_formula_sum            'C24 H20 Ag F6 N4 Sb'
_chemical_formula_weight         708.06

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'
N N 0.0061 0.0033 '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'
Ag Ag -0.8971 1.1015 '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'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   7.3381(15)
_cell_length_b                   12.389(3)
_cell_length_c                   14.819(3)
_cell_angle_alpha                101.01(3)
_cell_angle_beta                 91.44(3)
_cell_angle_gamma                103.32(3)
_cell_volume                     1283.5(5)
_cell_formula_units_Z            2
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    12108
_cell_measurement_theta_min      2.860
_cell_measurement_theta_max      29.470

_exptl_crystal_description       prism
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.832
_exptl_crystal_F_000             688
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.46
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.31
_exptl_absorpt_coefficient_mu    1.879
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.60324
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'SuperNova (Mo) X-ray Source'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 10.3818
_diffrn_reflns_number            12108
_diffrn_reflns_av_unetI/netI     0.0606
_diffrn_reflns_av_R_equivalents  0.0454
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         2.860
_diffrn_reflns_theta_max         29.470
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.844
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.844
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.844
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             6022
_reflns_number_gt                3839
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;

_computing_data_collection       'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_cell_refinement       'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Diamond 3.2 (2012)'
_computing_publication_material  'SHELXL2018 and PLATON (Spek, 2009)'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0675P)²+0.0654P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_extinction_coef       0.0479(19)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         6022
_refine_ls_number_parameters     327
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0797
_refine_ls_R_factor_gt           0.0484
_refine_ls_wR_factor_ref         0.1485
_refine_ls_wR_factor_gt          0.1171
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_restrained_S_all      1.039
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

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
Ag1 Ag 0.76008(6) 0.55622(3) 0.14838(2) 0.0671(2) Uani 1 1 d . . . . .
Sb1 Sb 0.21634(6) 0.04097(3) 0.28328(2) 0.0751(2) Uani 1 1 d . . . . .
F1 F 0.4450(7) 0.0813(6) 0.2348(4) 0.167(2) Uani 1 1 d . . . . .
F2 F 0.2069(8) 0.1915(4) 0.3003(4) 0.1486(19) Uani 1 1 d . . . . .
F3 F 0.3253(10) 0.0664(5) 0.3995(3) 0.171(3) Uani 1 1 d . . . . .
F4 F 0.2265(12) -0.1080(4) 0.2626(4) 0.184(3) Uani 1 1 d . . . . .
F5 F 0.1058(7) 0.0165(4) 0.1644(3) 0.1238(15) Uani 1 1 d . . . . .
F6 F -0.0150(9) 0.0082(7) 0.3263(5) 0.220(3) Uani 1 1 d . . . . .
N1 N 0.8097(5) 0.3748(3) 0.0943(3) 0.0525(9) Uani 1 1 d . . . . .
N2 N 0.7428(4) 0.5111(3) -0.0151(2) 0.0414(7) Uani 1 1 d . . . . .
N3 N 0.6817(5) 0.7054(3) 0.0797(3) 0.0555(9) Uani 1 1 d . . . . .
N4 N 0.8166(7) 0.6440(5) 0.2938(3) 0.0877(15) Uani 1 1 d . . . . .
C1 C 0.8407(7) 0.3070(5) 0.1508(3) 0.0648(13) Uani 1 1 d . . . . .
H1A H 0.836237 0.332438 0.213723 0.078 Uiso 1 1 calc R U . . .
C2 C 0.8782(7) 0.2039(5) 0.1224(4) 0.0659(13) Uani 1 1 d . . . . .
H2A H 0.896428 0.159982 0.164600 0.079 Uiso 1 1 calc R U . . .
C3 C 0.8884(6) 0.1671(4) 0.0312(4) 0.0606(12) Uani 1 1 d . . . . .
H3A H 0.917050 0.097801 0.009572 0.073 Uiso 1 1 calc R U . . .
C4 C 0.8555(5) 0.2340(4) -0.0301(3) 0.0497(10) Uani 1 1 d . . . . .
H4A H 0.860431 0.209597 -0.093174 0.060 Uiso 1 1 calc R U . . .
C5 C 0.8154(5) 0.3371(3) 0.0040(3) 0.0429(9) Uani 1 1 d . . . . .
C6 C 0.7738(5) 0.4126(3) -0.0570(3) 0.0399(9) Uani 1 1 d . . . . .
C7 C 0.7659(5) 0.3826(4) -0.1535(3) 0.0452(9) Uani 1 1 d . . . . .
H7A H 0.793269 0.314937 -0.181619 0.054 Uiso 1 1 calc R U . . .
C8 C 0.7173(5) 0.4535(4) -0.2069(3) 0.0472(10) Uani 1 1 d . . . . .
C9 C 0.6784(6) 0.5539(4) -0.1593(3) 0.0502(10) Uani 1 1 d . . . . .
H9A H 0.640655 0.602598 -0.192430 0.060 Uiso 1 1 calc R U . . .
C10 C 0.6950(5) 0.5819(3) -0.0648(3) 0.0422(9) Uani 1 1 d . . . . .
C11 C 0.6683(5) 0.6907(3) -0.0112(3) 0.0454(10) Uani 1 1 d . . . . .
C12 C 0.6390(6) 0.7758(4) -0.0556(4) 0.0576(11) Uani 1 1 d . . . . .
H12A H 0.632811 0.764859 -0.119553 0.069 Uiso 1 1 calc R U . . .
C13 C 0.6195(7) 0.8760(4) -0.0029(4) 0.0672(14) Uani 1 1 d . . . . .
H13A H 0.596687 0.933210 -0.030731 0.081 Uiso 1 1 calc R U . . .
C14 C 0.6341(7) 0.8904(4) 0.0908(5) 0.0728(16) Uani 1 1 d . . . . .
H14A H 0.624018 0.958246 0.127653 0.087 Uiso 1 1 calc R U . . .
C15 C 0.6632(7) 0.8050(4) 0.1295(4) 0.0666(14) Uani 1 1 d . . . . .
H15A H 0.670947 0.815292 0.193390 0.080 Uiso 1 1 calc R U . . .
C16 C 0.7089(6) 0.4253(4) -0.3085(3) 0.0544(11) Uani 1 1 d . . . . .
C17 C 0.7509(8) 0.5106(5) -0.3590(4) 0.0768(16) Uani 1 1 d . . . . .
H17A H 0.782403 0.586066 -0.328629 0.092 Uiso 1 1 calc R U . . .
C18 C 0.7460(10) 0.4840(6) -0.4531(4) 0.098(2) Uani 1 1 d . . . . .
H18A H 0.775241 0.542707 -0.485039 0.117 Uiso 1 1 calc R U . . .
C19 C 0.6999(9) 0.3746(6) -0.5025(4) 0.0865(19) Uani 1 1 d . . . . .
C20 C 0.6565(8) 0.2898(6) -0.4522(4) 0.0784(17) Uani 1 1 d . . . . .
H20A H 0.622842 0.214499 -0.483041 0.094 Uiso 1 1 calc R U . . .
C21 C 0.6622(7) 0.3149(5) -0.3562(3) 0.0660(13) Uani 1 1 d . . . . .
H21A H 0.634130 0.256244 -0.324097 0.079 Uiso 1 1 calc R U . . .
C22 C 0.6993(14) 0.3458(9) -0.6057(4) 0.139(4) Uani 1 1 d . . . . .
H22A H 0.663242 0.265063 -0.626446 0.209 Uiso 1 1 calc R U . . .
H22B H 0.611502 0.379476 -0.632617 0.209 Uiso 1 1 calc R U . . .
H22C H 0.822660 0.374511 -0.624138 0.209 Uiso 1 1 calc R U . . .
C23 C 0.8466(8) 0.7073(6) 0.3584(4) 0.0789(16) Uani 1 1 d . . . . .
C24 C 0.8816(13) 0.7870(7) 0.4473(5) 0.119(3) Uani 1 1 d . . . . .
H24A H 0.885306 0.861945 0.437632 0.178 Uiso 1 1 calc R U . . .
H24B H 0.999554 0.786037 0.476159 0.178 Uiso 1 1 calc R U . . .
H24C H 0.782748 0.765366 0.486210 0.178 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
Ag1 N4 2.202(5) . ?
Ag1 N1 2.351(4) . ?
Ag1 N2 2.372(3) . ?
Ag1 N3 2.442(4) . ?
Sb1 F6 1.813(6) . ?
Sb1 F3 1.820(4) . ?
Sb1 F4 1.831(5) . ?
Sb1 F1 1.842(5) . ?
Sb1 F2 1.851(4) . ?
Sb1 F5 1.861(4) . ?
N1 C5 1.336(5) . ?
N1 C1 1.343(6) . ?
N2 C6 1.332(5) . ?
N2 C10 1.346(5) . ?
N3 C11 1.322(6) . ?
N3 C15 1.348(6) . ?
N4 C23 1.097(7) . ?
C1 C2 1.359(8) . ?
C1 H1A 0.9300 . ?
C2 C3 1.352(7) . ?
C2 H2A 0.9300 . ?
C3 C4 1.393(6) . ?
C3 H3A 0.9300 . ?
C4 C5 1.381(6) . ?
C4 H4A 0.9300 . ?
C5 C6 1.491(6) . ?
C6 C7 1.402(6) . ?
C7 C8 1.387(6) . ?
C7 H7A 0.9300 . ?
C8 C9 1.402(6) . ?
C8 C16 1.475(6) . ?
C9 C10 1.373(6) . ?
C9 H9A 0.9300 . ?
C10 C11 1.485(6) . ?
C11 C12 1.398(6) . ?
C12 C13 1.374(7) . ?
C12 H12A 0.9300 . ?
C13 C14 1.364(8) . ?
C13 H13A 0.9300 . ?
C14 C15 1.350(8) . ?
C14 H14A 0.9300 . ?
C15 H15A 0.9300 . ?
C16 C21 1.375(7) . ?
C16 C17 1.391(7) . ?
C17 C18 1.367(8) . ?
C17 H17A 0.9300 . ?
C18 C19 1.373(9) . ?
C18 H18A 0.9300 . ?
C19 C20 1.385(9) . ?
C19 C22 1.503(8) . ?
C20 C21 1.393(7) . ?
C20 H20A 0.9300 . ?
C21 H21A 0.9300 . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C23 C24 1.465(9) . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?

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
N4 Ag1 N1 122.95(19) . . ?
N4 Ag1 N2 164.25(18) . . ?
N1 Ag1 N2 68.70(12) . . ?
N4 Ag1 N3 100.29(19) . . ?
N1 Ag1 N3 136.39(13) . . ?
N2 Ag1 N3 67.76(12) . . ?
F6 Sb1 F3 90.6(4) . . ?
F6 Sb1 F4 91.7(4) . . ?
F3 Sb1 F4 91.5(3) . . ?
F6 Sb1 F1 175.7(4) . . ?
F3 Sb1 F1 92.3(3) . . ?
F4 Sb1 F1 91.4(3) . . ?
F6 Sb1 F2 89.2(4) . . ?
F3 Sb1 F2 90.1(3) . . ?
F4 Sb1 F2 178.2(3) . . ?
F1 Sb1 F2 87.6(3) . . ?
F6 Sb1 F5 89.6(3) . . ?
F3 Sb1 F5 179.5(3) . . ?
F4 Sb1 F5 89.0(2) . . ?
F1 Sb1 F5 87.5(3) . . ?
F2 Sb1 F5 89.5(2) . . ?
C5 N1 C1 117.1(4) . . ?
C5 N1 Ag1 119.9(3) . . ?
C1 N1 Ag1 122.9(3) . . ?
C6 N2 C10 120.4(3) . . ?
C6 N2 Ag1 119.1(3) . . ?
C10 N2 Ag1 120.5(3) . . ?
C11 N3 C15 118.2(5) . . ?
C11 N3 Ag1 118.2(3) . . ?
C15 N3 Ag1 123.5(4) . . ?
C23 N4 Ag1 165.1(6) . . ?
N1 C1 C2 124.7(5) . . ?
N1 C1 H1A 117.7 . . ?
C2 C1 H1A 117.7 . . ?
C3 C2 C1 118.2(5) . . ?
C3 C2 H2A 120.9 . . ?
C1 C2 H2A 120.9 . . ?
C2 C3 C4 119.2(5) . . ?
C2 C3 H3A 120.4 . . ?
C4 C3 H3A 120.4 . . ?
C5 C4 C3 119.2(4) . . ?
C5 C4 H4A 120.4 . . ?
C3 C4 H4A 120.4 . . ?
N1 C5 C4 121.6(4) . . ?
N1 C5 C6 115.8(4) . . ?
C4 C5 C6 122.6(4) . . ?
N2 C6 C7 121.0(4) . . ?
N2 C6 C5 116.4(3) . . ?
C7 C6 C5 122.6(4) . . ?
C8 C7 C6 120.2(4) . . ?
C8 C7 H7A 119.9 . . ?
C6 C7 H7A 119.9 . . ?
C7 C8 C9 116.5(4) . . ?
C7 C8 C16 121.7(4) . . ?
C9 C8 C16 121.8(4) . . ?
C10 C9 C8 121.4(4) . . ?
C10 C9 H9A 119.3 . . ?
C8 C9 H9A 119.3 . . ?
N2 C10 C9 120.5(4) . . ?
N2 C10 C11 116.0(4) . . ?
C9 C10 C11 123.5(4) . . ?
N3 C11 C12 121.6(4) . . ?
N3 C11 C10 117.4(4) . . ?
C12 C11 C10 120.9(4) . . ?
C13 C12 C11 118.7(5) . . ?
C13 C12 H12A 120.7 . . ?
C11 C12 H12A 120.7 . . ?
C14 C13 C12 119.2(5) . . ?
C14 C13 H13A 120.4 . . ?
C12 C13 H13A 120.4 . . ?
C15 C14 C13 119.2(5) . . ?
C15 C14 H14A 120.4 . . ?
C13 C14 H14A 120.4 . . ?
N3 C15 C14 123.1(5) . . ?
N3 C15 H15A 118.4 . . ?
C14 C15 H15A 118.4 . . ?
C21 C16 C17 117.9(5) . . ?
C21 C16 C8 121.6(4) . . ?
C17 C16 C8 120.5(4) . . ?
C18 C17 C16 120.3(6) . . ?
C18 C17 H17A 119.8 . . ?
C16 C17 H17A 119.8 . . ?
C17 C18 C19 123.0(6) . . ?
C17 C18 H18A 118.5 . . ?
C19 C18 H18A 118.5 . . ?
C18 C19 C20 116.6(5) . . ?
C18 C19 C22 122.8(6) . . ?
C20 C19 C22 120.6(7) . . ?
C19 C20 C21 121.4(6) . . ?
C19 C20 H20A 119.3 . . ?
C21 C20 H20A 119.3 . . ?
C16 C21 C20 120.8(5) . . ?
C16 C21 H21A 119.6 . . ?
C20 C21 H21A 119.6 . . ?
C19 C22 H22A 109.5 . . ?
C19 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C19 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
N4 C23 C24 176.9(8) . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?

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
C5 N1 C1 C2 0.4(7) . . . . ?
Ag1 N1 C1 C2 -176.9(4) . . . . ?
N1 C1 C2 C3 1.2(8) . . . . ?
C1 C2 C3 C4 -1.7(7) . . . . ?
C2 C3 C4 C5 0.8(6) . . . . ?
C1 N1 C5 C4 -1.3(6) . . . . ?
Ag1 N1 C5 C4 176.0(3) . . . . ?
C1 N1 C5 C6 178.0(4) . . . . ?
Ag1 N1 C5 C6 -4.7(4) . . . . ?
C3 C4 C5 N1 0.8(6) . . . . ?
C3 C4 C5 C6 -178.4(3) . . . . ?
C10 N2 C6 C7 2.9(5) . . . . ?
Ag1 N2 C6 C7 -179.7(3) . . . . ?
C10 N2 C6 C5 -176.7(3) . . . . ?
Ag1 N2 C6 C5 0.7(4) . . . . ?
N1 C5 C6 N2 2.6(5) . . . . ?
C4 C5 C6 N2 -178.2(3) . . . . ?
N1 C5 C6 C7 -177.0(3) . . . . ?
C4 C5 C6 C7 2.3(5) . . . . ?
N2 C6 C7 C8 -2.8(5) . . . . ?
C5 C6 C7 C8 176.7(3) . . . . ?
C6 C7 C8 C9 0.1(5) . . . . ?
C6 C7 C8 C16 179.5(4) . . . . ?
C7 C8 C9 C10 2.4(6) . . . . ?
C16 C8 C9 C10 -177.0(4) . . . . ?
C6 N2 C10 C9 -0.3(5) . . . . ?
Ag1 N2 C10 C9 -177.7(3) . . . . ?
C6 N2 C10 C11 -178.5(3) . . . . ?
Ag1 N2 C10 C11 4.1(4) . . . . ?
C8 C9 C10 N2 -2.4(6) . . . . ?
C8 C9 C10 C11 175.7(3) . . . . ?
C15 N3 C11 C12 1.0(6) . . . . ?
Ag1 N3 C11 C12 -174.8(3) . . . . ?
C15 N3 C11 C10 178.1(4) . . . . ?
Ag1 N3 C11 C10 2.3(4) . . . . ?
N2 C10 C11 N3 -4.2(5) . . . . ?
C9 C10 C11 N3 177.6(4) . . . . ?
N2 C10 C11 C12 172.9(3) . . . . ?
C9 C10 C11 C12 -5.3(6) . . . . ?
N3 C11 C12 C13 -1.5(6) . . . . ?
C10 C11 C12 C13 -178.5(4) . . . . ?
C11 C12 C13 C14 1.7(7) . . . . ?
C12 C13 C14 C15 -1.4(7) . . . . ?
C11 N3 C15 C14 -0.8(7) . . . . ?
Ag1 N3 C15 C14 174.8(4) . . . . ?
C13 C14 C15 N3 1.0(8) . . . . ?
C7 C8 C16 C21 30.6(6) . . . . ?
C9 C8 C16 C21 -150.1(4) . . . . ?
C7 C8 C16 C17 -148.5(5) . . . . ?
C9 C8 C16 C17 30.8(7) . . . . ?
C21 C16 C17 C18 -0.3(9) . . . . ?
C8 C16 C17 C18 178.9(6) . . . . ?
C16 C17 C18 C19 0.3(11) . . . . ?
C17 C18 C19 C20 0.3(11) . . . . ?
C17 C18 C19 C22 -178.5(8) . . . . ?
C18 C19 C20 C21 -0.9(10) . . . . ?
C22 C19 C20 C21 177.9(7) . . . . ?
C17 C16 C21 C20 -0.3(8) . . . . ?
C8 C16 C21 C20 -179.4(5) . . . . ?
C19 C20 C21 C16 0.9(9) . . . . ?

_refine_diff_density_max         0.644
_refine_diff_density_min         -1.126
_refine_diff_density_rms         0.115



####################################################################### 
# 
# 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_D_CCDC3
_database_code_depnum_ccdc_archive 'CCDC 1978076'
_audit_update_record             
;
2020-01-15 deposited with the CCDC.	2023-06-13 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C23 H17 Ag Br F6 N4 Sb'
_chemical_formula_sum            'C23 H17 Ag Br F6 N4 Sb'
_chemical_formula_weight         772.93

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'
N N 0.0061 0.0033 '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'
Br Br -0.2901 2.4595 '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'
Sb Sb -0.5866 1.5461 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   7.8974(16)
_cell_length_b                   20.779(4)
_cell_length_c                   15.506(3)
_cell_angle_alpha                90
_cell_angle_beta                 98.91(3)
_cell_angle_gamma                90
_cell_volume                     2513.8(9)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    16870
_cell_measurement_theta_min      2.834
_cell_measurement_theta_max      29.618

_exptl_crystal_description       prism
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.042
_exptl_crystal_F_000             1480
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.49
_exptl_crystal_size_mid          0.38
_exptl_crystal_size_min          0.25
_exptl_absorpt_coefficient_mu    3.507
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.14811
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.46 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'SuperNova (Mo) X-ray Source'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 10.3818
_diffrn_reflns_number            16870
_diffrn_reflns_av_unetI/netI     0.0468
_diffrn_reflns_av_R_equivalents  0.0397
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         2.834
_diffrn_reflns_theta_max         29.618
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.856
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.856
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.856
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             6049
_reflns_number_gt                4241
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;

_computing_data_collection       'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_cell_refinement       'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Diamond 3.2 (2012)'
_computing_publication_material  'SHELXL2018 and PLATON (Spek, 2009)'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0530P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_extinction_coef       0.0174(5)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         6049
_refine_ls_number_parameters     327
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0667
_refine_ls_R_factor_gt           0.0398
_refine_ls_wR_factor_ref         0.1078
_refine_ls_wR_factor_gt          0.0939
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_restrained_S_all      1.027
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

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
Ag1 Ag 0.00967(5) 0.50448(2) 0.84069(2) 0.06673(15) Uani 1 1 d . . . . .
Sb1 Sb 0.44375(4) 0.32923(2) 0.64775(2) 0.05654(13) Uani 1 1 d . . . . .
Br1 Br 0.91584(7) 0.39185(3) 1.46027(3) 0.07898(19) Uani 1 1 d . . . . .
F1 F 0.5610(6) 0.40472(17) 0.6364(3) 0.1315(14) Uani 1 1 d . . . . .
F2 F 0.4447(6) 0.3116(2) 0.5290(2) 0.1239(13) Uani 1 1 d . . . . .
F3 F 0.3241(4) 0.25356(13) 0.6571(2) 0.0989(10) Uani 1 1 d . . . . .
F4 F 0.4419(5) 0.34952(16) 0.76372(17) 0.0985(10) Uani 1 1 d . . . . .
F5 F 0.6469(4) 0.28478(19) 0.6776(3) 0.1260(13) Uani 1 1 d . . . . .
F6 F 0.2379(4) 0.37195(17) 0.6174(2) 0.1118(11) Uani 1 1 d . . . . .
N1 N 0.0674(4) 0.39157(18) 0.8533(2) 0.0577(8) Uani 1 1 d . . . . .
N2 N 0.2121(4) 0.48139(14) 0.96497(17) 0.0423(7) Uani 1 1 d . . . . .
N3 N 0.0889(4) 0.60018(15) 0.9248(2) 0.0512(8) Uani 1 1 d . . . . .
N4 N -0.1602(5) 0.5317(3) 0.7227(3) 0.0937(15) Uani 1 1 d . . . . .
C1 C -0.0069(6) 0.3483(2) 0.7954(3) 0.0704(12) Uani 1 1 d . . . . .
H1A H -0.087751 0.362641 0.749315 0.085 Uiso 1 1 calc R U . . .
C2 C 0.0302(7) 0.2848(2) 0.8008(3) 0.0752(13) Uani 1 1 d . . . . .
H2A H -0.025574 0.256059 0.759902 0.090 Uiso 1 1 calc R U . . .
C3 C 0.1513(7) 0.2634(2) 0.8674(3) 0.0755(13) Uani 1 1 d . . . . .
H3A H 0.181065 0.220058 0.872069 0.091 Uiso 1 1 calc R U . . .
C4 C 0.2287(6) 0.3078(2) 0.9279(3) 0.0634(11) Uani 1 1 d . . . . .
H4A H 0.311014 0.294478 0.973934 0.076 Uiso 1 1 calc R U . . .
C5 C 0.1831(5) 0.37108(18) 0.9194(2) 0.0455(8) Uani 1 1 d . . . . .
C6 C 0.2590(4) 0.42098(17) 0.9839(2) 0.0405(7) Uani 1 1 d . . . . .
C7 C 0.3686(4) 0.40553(17) 1.0596(2) 0.0424(8) Uani 1 1 d . . . . .
H7A H 0.401063 0.362941 1.070735 0.051 Uiso 1 1 calc R U . . .
C8 C 0.4305(4) 0.45306(16) 1.1190(2) 0.0397(7) Uani 1 1 d . . . . .
C9 C 0.3746(4) 0.51598(17) 1.0992(2) 0.0412(8) Uani 1 1 d . . . . .
H9A H 0.409275 0.549227 1.138058 0.049 Uiso 1 1 calc R U . . .
C10 C 0.2674(4) 0.52871(16) 1.0212(2) 0.0394(7) Uani 1 1 d . . . . .
C11 C 0.2122(4) 0.59513(17) 0.9942(2) 0.0417(8) Uani 1 1 d . . . . .
C12 C 0.2834(5) 0.64910(19) 1.0372(3) 0.0545(9) Uani 1 1 d . . . . .
H12A H 0.369262 0.645205 1.085248 0.065 Uiso 1 1 calc R U . . .
C13 C 0.2254(6) 0.7085(2) 1.0080(3) 0.0640(11) Uani 1 1 d . . . . .
H13A H 0.273602 0.745300 1.035907 0.077 Uiso 1 1 calc R U . . .
C14 C 0.0974(6) 0.7143(2) 0.9384(3) 0.0626(11) Uani 1 1 d . . . . .
H14A H 0.055659 0.754457 0.918885 0.075 Uiso 1 1 calc R U . . .
C15 C 0.0333(6) 0.6593(2) 0.8986(3) 0.0612(11) Uani 1 1 d . . . . .
H15A H -0.053457 0.662629 0.850840 0.073 Uiso 1 1 calc R U . . .
C16 C 0.5504(4) 0.43848(17) 1.2005(2) 0.0439(8) Uani 1 1 d . . . . .
C17 C 0.6487(5) 0.48556(18) 1.2465(2) 0.0458(8) Uani 1 1 d . . . . .
H17A H 0.641201 0.527546 1.225471 0.055 Uiso 1 1 calc R U . . .
C18 C 0.7582(5) 0.47234(19) 1.3231(2) 0.0511(9) Uani 1 1 d . . . . .
H18A H 0.822895 0.504966 1.353202 0.061 Uiso 1 1 calc R U . . .
C19 C 0.7698(5) 0.4104(2) 1.3538(3) 0.0555(9) Uani 1 1 d . . . . .
C20 C 0.6753(7) 0.3622(2) 1.3094(3) 0.0787(14) Uani 1 1 d . . . . .
H20A H 0.684519 0.320207 1.330174 0.094 Uiso 1 1 calc R U . . .
C21 C 0.5659(6) 0.3766(2) 1.2333(3) 0.0686(12) Uani 1 1 d . . . . .
H21A H 0.501285 0.343864 1.203476 0.082 Uiso 1 1 calc R U . . .
C22 C -0.2434(6) 0.5386(3) 0.6579(3) 0.0734(13) Uani 1 1 d . . . . .
C23 C -0.3501(7) 0.5461(3) 0.5760(3) 0.0993(19) Uani 1 1 d . . . . .
H23A H -0.361404 0.590981 0.561690 0.149 Uiso 1 1 calc R U . . .
H23B H -0.461199 0.528271 0.579079 0.149 Uiso 1 1 calc R U . . .
H23C H -0.299987 0.524010 0.531718 0.149 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
Ag1 N4 2.170(4) . ?
Ag1 N2 2.355(3) . ?
Ag1 N1 2.392(4) . ?
Ag1 N3 2.407(3) . ?
Sb1 F1 1.844(3) . ?
Sb1 F5 1.847(3) . ?
Sb1 F6 1.848(3) . ?
Sb1 F4 1.849(3) . ?
Sb1 F3 1.851(3) . ?
Sb1 F2 1.878(3) . ?
Br1 C19 1.902(4) . ?
N1 C5 1.334(5) . ?
N1 C1 1.340(5) . ?
N2 C6 1.329(4) . ?
N2 C10 1.342(4) . ?
N3 C11 1.339(5) . ?
N3 C15 1.345(5) . ?
N4 C22 1.121(5) . ?
C1 C2 1.353(6) . ?
C1 H1A 0.9300 . ?
C2 C3 1.369(7) . ?
C2 H2A 0.9300 . ?
C3 C4 1.388(6) . ?
C3 H3A 0.9300 . ?
C4 C5 1.365(6) . ?
C4 H4A 0.9300 . ?
C5 C6 1.500(5) . ?
C6 C7 1.384(5) . ?
C7 C8 1.386(5) . ?
C7 H7A 0.9300 . ?
C8 C9 1.398(5) . ?
C8 C16 1.488(5) . ?
C9 C10 1.390(5) . ?
C9 H9A 0.9300 . ?
C10 C11 1.488(5) . ?
C11 C12 1.379(5) . ?
C12 C13 1.369(6) . ?
C12 H12A 0.9300 . ?
C13 C14 1.365(6) . ?
C13 H13A 0.9300 . ?
C14 C15 1.360(6) . ?
C14 H14A 0.9300 . ?
C15 H15A 0.9300 . ?
C16 C17 1.378(5) . ?
C16 C21 1.381(5) . ?
C17 C18 1.384(5) . ?
C17 H17A 0.9300 . ?
C18 C19 1.370(5) . ?
C18 H18A 0.9300 . ?
C19 C20 1.369(6) . ?
C20 C21 1.382(6) . ?
C20 H20A 0.9300 . ?
C21 H21A 0.9300 . ?
C22 C23 1.420(6) . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?

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
N4 Ag1 N2 174.87(15) . . ?
N4 Ag1 N1 114.18(17) . . ?
N2 Ag1 N1 68.71(10) . . ?
N4 Ag1 N3 108.43(17) . . ?
N2 Ag1 N3 68.81(10) . . ?
N1 Ag1 N3 137.39(11) . . ?
F1 Sb1 F5 91.1(2) . . ?
F1 Sb1 F6 90.12(19) . . ?
F5 Sb1 F6 178.70(17) . . ?
F1 Sb1 F4 88.77(16) . . ?
F5 Sb1 F4 90.43(17) . . ?
F6 Sb1 F4 89.95(16) . . ?
F1 Sb1 F3 178.96(18) . . ?
F5 Sb1 F3 89.41(17) . . ?
F6 Sb1 F3 89.33(16) . . ?
F4 Sb1 F3 92.11(15) . . ?
F1 Sb1 F2 89.65(18) . . ?
F5 Sb1 F2 90.76(19) . . ?
F6 Sb1 F2 88.90(18) . . ?
F4 Sb1 F2 178.04(16) . . ?
F3 Sb1 F2 89.45(17) . . ?
C5 N1 C1 118.5(4) . . ?
C5 N1 Ag1 118.4(3) . . ?
C1 N1 Ag1 123.1(3) . . ?
C6 N2 C10 119.8(3) . . ?
C6 N2 Ag1 120.3(2) . . ?
C10 N2 Ag1 119.6(2) . . ?
C11 N3 C15 118.5(3) . . ?
C11 N3 Ag1 117.8(2) . . ?
C15 N3 Ag1 123.0(3) . . ?
C22 N4 Ag1 171.5(5) . . ?
N1 C1 C2 123.0(4) . . ?
N1 C1 H1A 118.5 . . ?
C2 C1 H1A 118.5 . . ?
C1 C2 C3 118.9(4) . . ?
C1 C2 H2A 120.5 . . ?
C3 C2 H2A 120.5 . . ?
C2 C3 C4 118.5(5) . . ?
C2 C3 H3A 120.8 . . ?
C4 C3 H3A 120.8 . . ?
C5 C4 C3 119.6(4) . . ?
C5 C4 H4A 120.2 . . ?
C3 C4 H4A 120.2 . . ?
N1 C5 C4 121.4(4) . . ?
N1 C5 C6 116.6(3) . . ?
C4 C5 C6 122.0(4) . . ?
N2 C6 C7 121.5(3) . . ?
N2 C6 C5 115.9(3) . . ?
C7 C6 C5 122.6(3) . . ?
C6 C7 C8 120.5(3) . . ?
C6 C7 H7A 119.8 . . ?
C8 C7 H7A 119.8 . . ?
C7 C8 C9 117.0(3) . . ?
C7 C8 C16 122.1(3) . . ?
C9 C8 C16 120.9(3) . . ?
C10 C9 C8 119.9(3) . . ?
C10 C9 H9A 120.1 . . ?
C8 C9 H9A 120.1 . . ?
N2 C10 C9 121.3(3) . . ?
N2 C10 C11 116.4(3) . . ?
C9 C10 C11 122.3(3) . . ?
N3 C11 C12 121.1(3) . . ?
N3 C11 C10 116.4(3) . . ?
C12 C11 C10 122.6(3) . . ?
C13 C12 C11 118.9(4) . . ?
C13 C12 H12A 120.6 . . ?
C11 C12 H12A 120.6 . . ?
C14 C13 C12 120.6(4) . . ?
C14 C13 H13A 119.7 . . ?
C12 C13 H13A 119.7 . . ?
C15 C14 C13 117.6(4) . . ?
C15 C14 H14A 121.2 . . ?
C13 C14 H14A 121.2 . . ?
N3 C15 C14 123.3(4) . . ?
N3 C15 H15A 118.3 . . ?
C14 C15 H15A 118.3 . . ?
C17 C16 C21 117.3(3) . . ?
C17 C16 C8 121.9(3) . . ?
C21 C16 C8 120.7(3) . . ?
C16 C17 C18 122.1(3) . . ?
C16 C17 H17A 119.0 . . ?
C18 C17 H17A 119.0 . . ?
C19 C18 C17 118.9(4) . . ?
C19 C18 H18A 120.5 . . ?
C17 C18 H18A 120.5 . . ?
C20 C19 C18 120.7(4) . . ?
C20 C19 Br1 119.9(3) . . ?
C18 C19 Br1 119.4(3) . . ?
C19 C20 C21 119.4(4) . . ?
C19 C20 H20A 120.3 . . ?
C21 C20 H20A 120.3 . . ?
C16 C21 C20 121.6(4) . . ?
C16 C21 H21A 119.2 . . ?
C20 C21 H21A 119.2 . . ?
N4 C22 C23 178.8(7) . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?

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
C5 N1 C1 C2 -0.1(7) . . . . ?
Ag1 N1 C1 C2 177.6(3) . . . . ?
N1 C1 C2 C3 -1.2(7) . . . . ?
C1 C2 C3 C4 1.3(7) . . . . ?
C2 C3 C4 C5 -0.2(7) . . . . ?
C1 N1 C5 C4 1.2(6) . . . . ?
Ag1 N1 C5 C4 -176.6(3) . . . . ?
C1 N1 C5 C6 -178.3(3) . . . . ?
Ag1 N1 C5 C6 3.9(4) . . . . ?
C3 C4 C5 N1 -1.1(6) . . . . ?
C3 C4 C5 C6 178.5(4) . . . . ?
C10 N2 C6 C7 -2.0(5) . . . . ?
Ag1 N2 C6 C7 -175.5(2) . . . . ?
C10 N2 C6 C5 176.7(3) . . . . ?
Ag1 N2 C6 C5 3.2(4) . . . . ?
N1 C5 C6 N2 -4.7(5) . . . . ?
C4 C5 C6 N2 175.8(3) . . . . ?
N1 C5 C6 C7 174.0(3) . . . . ?
C4 C5 C6 C7 -5.5(5) . . . . ?
N2 C6 C7 C8 1.2(5) . . . . ?
C5 C6 C7 C8 -177.5(3) . . . . ?
C6 C7 C8 C9 1.1(5) . . . . ?
C6 C7 C8 C16 -179.1(3) . . . . ?
C7 C8 C9 C10 -2.4(5) . . . . ?
C16 C8 C9 C10 177.8(3) . . . . ?
C6 N2 C10 C9 0.6(5) . . . . ?
Ag1 N2 C10 C9 174.1(2) . . . . ?
C6 N2 C10 C11 178.6(3) . . . . ?
Ag1 N2 C10 C11 -7.8(4) . . . . ?
C8 C9 C10 N2 1.7(5) . . . . ?
C8 C9 C10 C11 -176.3(3) . . . . ?
C15 N3 C11 C12 -1.2(5) . . . . ?
Ag1 N3 C11 C12 169.7(3) . . . . ?
C15 N3 C11 C10 179.1(3) . . . . ?
Ag1 N3 C11 C10 -10.0(4) . . . . ?
N2 C10 C11 N3 11.8(4) . . . . ?
C9 C10 C11 N3 -170.2(3) . . . . ?
N2 C10 C11 C12 -167.9(3) . . . . ?
C9 C10 C11 C12 10.1(5) . . . . ?
N3 C11 C12 C13 0.3(6) . . . . ?
C10 C11 C12 C13 179.9(3) . . . . ?
C11 C12 C13 C14 1.0(6) . . . . ?
C12 C13 C14 C15 -1.3(7) . . . . ?
C11 N3 C15 C14 0.9(6) . . . . ?
Ag1 N3 C15 C14 -169.5(3) . . . . ?
C13 C14 C15 N3 0.4(7) . . . . ?
C7 C8 C16 C17 161.4(3) . . . . ?
C9 C8 C16 C17 -18.8(5) . . . . ?
C7 C8 C16 C21 -19.2(5) . . . . ?
C9 C8 C16 C21 160.6(4) . . . . ?
C21 C16 C17 C18 -0.5(6) . . . . ?
C8 C16 C17 C18 178.9(3) . . . . ?
C16 C17 C18 C19 0.3(6) . . . . ?
C17 C18 C19 C20 0.3(7) . . . . ?
C17 C18 C19 Br1 -178.6(3) . . . . ?
C18 C19 C20 C21 -0.7(8) . . . . ?
Br1 C19 C20 C21 178.2(4) . . . . ?
C17 C16 C21 C20 0.1(7) . . . . ?
C8 C16 C21 C20 -179.3(4) . . . . ?
C19 C20 C21 C16 0.5(8) . . . . ?

_refine_diff_density_max         0.906
_refine_diff_density_min         -0.742
_refine_diff_density_rms         0.099



