# Electronic Supplementary Material (ESI) for CrystEngComm.
# This journal is © The Royal Society of Chemistry 2021

####################################################################### 
# 
# 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_shelx
_database_code_depnum_ccdc_archive 'CCDC 2033490'
loop_
_audit_author_name
_audit_author_address
'Matthew Piers Akerman' 'University of KwaZulu Natal'
_audit_update_record             
;
2020-09-23 deposited with the CCDC.	2021-01-08 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C18 H14 Ag N4, F6 Sb'
_chemical_formula_sum            'C18 H14 Ag F6 N4 Sb'
_chemical_formula_weight         629.95

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                   7.7112(3)
_cell_length_b                   12.8858(6)
_cell_length_c                   19.6573(8)
_cell_angle_alpha                90
_cell_angle_beta                 91.982(2)
_cell_angle_gamma                90
_cell_volume                     1952.08(14)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    5696
_cell_measurement_theta_min      1.9
_cell_measurement_theta_max      30.1

_exptl_crystal_description       parallelpiped
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.143
_exptl_crystal_F_000             1208
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.090
_exptl_crystal_size_mid          0.060
_exptl_crystal_size_min          0.050
_exptl_absorpt_coefficient_mu    2.455
_shelx_estimated_absorpt_T_min   0.809
_shelx_estimated_absorpt_T_max   0.887
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7002
_exptl_absorpt_correction_T_max  0.7460
_exptl_absorpt_process_details   'SADABS, Bruker 2012'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'Incoatec microsource'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_diffrn_measurement_method       'ω and φ-scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            22099
_diffrn_reflns_av_unetI/netI     0.0262
_diffrn_reflns_av_R_equivalents  0.0251
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_theta_min         1.890
_diffrn_reflns_theta_max         30.075
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             5696
_reflns_number_gt                5072
_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       'APEX2 (Bruker, 2012)'
_computing_cell_refinement       'SAINT-Plus (Bruker, 2012)'
_computing_data_reduction        'SAINT-Plus (Bruker, 2012)'
_computing_structure_solution    'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'WinGX (Farrugia, 2012)'
_computing_publication_material  ?
_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)+(0.0229P)²+1.7912P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_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         5696
_refine_ls_number_parameters     271
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0284
_refine_ls_R_factor_gt           0.0239
_refine_ls_wR_factor_ref         0.0553
_refine_ls_wR_factor_gt          0.0532
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_restrained_S_all      1.034
_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
Sb1 Sb 1.11117(2) 0.48724(2) 0.16863(2) 0.01670(4) Uani 1 1 d . . . . .
Ag1 Ag 0.32103(2) 0.40937(2) 0.46387(2) 0.01804(5) Uani 1 1 d . . . . .
F1 F 1.0869(2) 0.55337(13) 0.25257(7) 0.0359(4) Uani 1 1 d . . . . .
F2 F 1.25490(18) 0.38662(12) 0.20981(8) 0.0315(3) Uani 1 1 d . . . . .
F3 F 1.13714(19) 0.42052(12) 0.08479(7) 0.0313(3) Uani 1 1 d . . . . .
F4 F 1.30433(18) 0.56977(11) 0.15149(7) 0.0286(3) Uani 1 1 d . . . . .
F5 F 0.92052(18) 0.40192(12) 0.18558(8) 0.0333(4) Uani 1 1 d . . . . .
N1 N 0.4439(2) 0.48723(15) 0.37575(9) 0.0176(4) Uani 1 1 d . . . . .
N5 N 0.2325(2) 0.27172(15) 0.52349(9) 0.0163(4) Uani 1 1 d . . . . .
F6 F 0.9652(2) 0.58486(13) 0.12663(9) 0.0411(4) Uani 1 1 d . . . . .
C5 C 0.4425(3) 0.59189(18) 0.37177(11) 0.0176(4) Uani 1 1 d . . . . .
C6 C 0.3518(3) 0.64946(18) 0.42504(11) 0.0172(4) Uani 1 1 d . . . . .
H1 H 0.3295 0.7217 0.4207 0.021 Uiso 1 1 calc R U . . .
N3 N 0.3042(2) 0.59865(15) 0.47737(9) 0.0167(4) Uani 1 1 d . . . . .
C7 C 0.2100(2) 0.64576(17) 0.53017(10) 0.0145(4) Uani 1 1 d . . . . .
C8 C 0.2032(3) 0.75239(18) 0.54335(11) 0.0181(4) Uani 1 1 d . . . . .
H10 H 0.2655 0.7994 0.5161 0.022 Uiso 1 1 calc R U . . .
C9 C 0.1061(3) 0.78938(18) 0.59597(11) 0.0194(4) Uani 1 1 d . . . . .
H9 H 0.1024 0.8618 0.6050 0.023 Uiso 1 1 calc R U . . .
C10 C 0.0138(3) 0.72092(18) 0.63578(11) 0.0183(4) Uani 1 1 d . . . . .
H8 H -0.0561 0.7470 0.6708 0.022 Uiso 1 1 calc R U . . .
C11 C 0.0230(3) 0.61503(17) 0.62473(10) 0.0161(4) Uani 1 1 d . . . . .
H7 H -0.0389 0.5687 0.6526 0.019 Uiso 1 1 calc R U . . .
C12 C 0.1234(2) 0.57616(17) 0.57252(10) 0.0141(4) Uani 1 1 d . . . . .
N4 N 0.1448(2) 0.46971(14) 0.55828(9) 0.0141(3) Uani 1 1 d . . . . .
C13 C 0.0920(2) 0.39675(17) 0.59578(10) 0.0146(4) Uani 1 1 d . . . . .
H6 H 0.0311 0.4117 0.6358 0.017 Uiso 1 1 calc R U . . .
C14 C 0.1269(2) 0.28836(17) 0.57617(10) 0.0151(4) Uani 1 1 d . . . . .
C18 C 0.2620(3) 0.17363(18) 0.50494(11) 0.0192(4) Uani 1 1 d . . . . .
H5 H 0.3366 0.1613 0.4683 0.023 Uiso 1 1 calc R U . . .
C17 C 0.1887(3) 0.08901(18) 0.53677(12) 0.0217(5) Uani 1 1 d . . . . .
H4 H 0.2117 0.0205 0.5217 0.026 Uiso 1 1 calc R U . . .
C16 C 0.0820(3) 0.10584(18) 0.59053(12) 0.0209(5) Uani 1 1 d . . . . .
H3 H 0.0299 0.0492 0.6131 0.025 Uiso 1 1 calc R U . . .
C15 C 0.0522(3) 0.20740(18) 0.61102(11) 0.0182(4) Uani 1 1 d . . . . .
H2 H -0.0186 0.2211 0.6486 0.022 Uiso 1 1 calc R U . . .
C4 C 0.5239(3) 0.6456(2) 0.32062(11) 0.0213(5) Uani 1 1 d . . . . .
H14 H 0.5173 0.7191 0.3181 0.026 Uiso 1 1 calc R U . . .
C3 C 0.6152(3) 0.5895(2) 0.27307(11) 0.0253(5) Uani 1 1 d . . . . .
H11 H 0.6754 0.6244 0.2384 0.030 Uiso 1 1 calc R U . . .
C2 C 0.6171(3) 0.4832(2) 0.27698(11) 0.0247(5) Uani 1 1 d . . . . .
H12 H 0.6781 0.4433 0.2450 0.030 Uiso 1 1 calc R U . . .
C1 C 0.5283(3) 0.4348(2) 0.32850(11) 0.0218(5) Uani 1 1 d . . . . .
H13 H 0.5276 0.3611 0.3302 0.026 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
Sb1 F6 1.8619(15) . ?
Sb1 F4 1.8703(13) . ?
Sb1 F2 1.8716(14) . ?
Sb1 F1 1.8723(14) . ?
Sb1 F5 1.8748(14) . ?
Sb1 F3 1.8757(14) . ?
Ag1 N1 2.2403(18) . ?
Ag1 N5 2.2453(19) . ?
Ag1 N3 2.457(2) . ?
Ag1 N4 2.4637(17) . ?
N1 C1 1.336(3) . ?
N1 C5 1.351(3) . ?
N5 C18 1.337(3) . ?
N5 C14 1.356(3) . ?
C5 C4 1.388(3) . ?
C5 C6 1.479(3) . ?
C6 N3 1.284(3) . ?
C6 H1 0.9500 . ?
N3 C7 1.424(3) . ?
C7 C8 1.400(3) . ?
C7 C12 1.408(3) . ?
C8 C9 1.383(3) . ?
C8 H10 0.9500 . ?
C9 C10 1.391(3) . ?
C9 H9 0.9500 . ?
C10 C11 1.384(3) . ?
C10 H8 0.9500 . ?
C11 C12 1.399(3) . ?
C11 H7 0.9500 . ?
C12 N4 1.411(3) . ?
N4 C13 1.270(3) . ?
C13 C14 1.476(3) . ?
C13 H6 0.9500 . ?
C14 C15 1.384(3) . ?
C18 C17 1.387(3) . ?
C18 H5 0.9500 . ?
C17 C16 1.379(3) . ?
C17 H4 0.9500 . ?
C16 C15 1.391(3) . ?
C16 H3 0.9500 . ?
C15 H2 0.9500 . ?
C4 C3 1.392(3) . ?
C4 H14 0.9500 . ?
C3 C2 1.372(4) . ?
C3 H11 0.9500 . ?
C2 C1 1.390(3) . ?
C2 H12 0.9500 . ?
C1 H13 0.9500 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
F6 Sb1 F4 90.52(7) . . ?
F6 Sb1 F2 178.65(7) . . ?
F4 Sb1 F2 90.48(6) . . ?
F6 Sb1 F1 90.34(8) . . ?
F4 Sb1 F1 90.26(7) . . ?
F2 Sb1 F1 90.56(7) . . ?
F6 Sb1 F5 90.53(7) . . ?
F4 Sb1 F5 178.75(7) . . ?
F2 Sb1 F5 88.46(7) . . ?
F1 Sb1 F5 90.42(7) . . ?
F6 Sb1 F3 90.08(7) . . ?
F4 Sb1 F3 89.57(6) . . ?
F2 Sb1 F3 89.02(7) . . ?
F1 Sb1 F3 179.54(7) . . ?
F5 Sb1 F3 89.75(7) . . ?
N1 Ag1 N5 154.40(7) . . ?
N1 Ag1 N3 70.38(6) . . ?
N5 Ag1 N3 135.20(6) . . ?
N1 Ag1 N4 134.45(7) . . ?
N5 Ag1 N4 70.76(6) . . ?
N3 Ag1 N4 64.72(6) . . ?
C1 N1 C5 117.9(2) . . ?
C1 N1 Ag1 122.71(16) . . ?
C5 N1 Ag1 119.27(14) . . ?
C18 N5 C14 118.04(19) . . ?
C18 N5 Ag1 123.13(15) . . ?
C14 N5 Ag1 118.37(15) . . ?
N1 C5 C4 122.4(2) . . ?
N1 C5 C6 117.59(19) . . ?
C4 C5 C6 120.0(2) . . ?
N3 C6 C5 117.8(2) . . ?
N3 C6 H1 121.1 . . ?
C5 C6 H1 121.1 . . ?
C6 N3 C7 122.3(2) . . ?
C6 N3 Ag1 113.71(15) . . ?
C7 N3 Ag1 122.15(14) . . ?
C8 C7 C12 119.65(19) . . ?
C8 C7 N3 125.22(19) . . ?
C12 C7 N3 115.09(19) . . ?
C9 C8 C7 120.1(2) . . ?
C9 C8 H10 120.0 . . ?
C7 C8 H10 120.0 . . ?
C8 C9 C10 120.2(2) . . ?
C8 C9 H9 119.9 . . ?
C10 C9 H9 119.9 . . ?
C11 C10 C9 120.5(2) . . ?
C11 C10 H8 119.8 . . ?
C9 C10 H8 119.8 . . ?
C10 C11 C12 120.0(2) . . ?
C10 C11 H7 120.0 . . ?
C12 C11 H7 120.0 . . ?
C11 C12 C7 119.4(2) . . ?
C11 C12 N4 124.40(19) . . ?
C7 C12 N4 116.17(18) . . ?
C13 N4 C12 124.22(18) . . ?
C13 N4 Ag1 113.56(14) . . ?
C12 N4 Ag1 121.85(13) . . ?
N4 C13 C14 118.94(19) . . ?
N4 C13 H6 120.5 . . ?
C14 C13 H6 120.5 . . ?
N5 C14 C15 122.0(2) . . ?
N5 C14 C13 117.93(19) . . ?
C15 C14 C13 120.09(19) . . ?
N5 C18 C17 122.9(2) . . ?
N5 C18 H5 118.5 . . ?
C17 C18 H5 118.5 . . ?
C16 C17 C18 119.0(2) . . ?
C16 C17 H4 120.5 . . ?
C18 C17 H4 120.5 . . ?
C17 C16 C15 118.6(2) . . ?
C17 C16 H3 120.7 . . ?
C15 C16 H3 120.7 . . ?
C14 C15 C16 119.4(2) . . ?
C14 C15 H2 120.3 . . ?
C16 C15 H2 120.3 . . ?
C5 C4 C3 118.7(2) . . ?
C5 C4 H14 120.7 . . ?
C3 C4 H14 120.7 . . ?
C2 C3 C4 119.0(2) . . ?
C2 C3 H11 120.5 . . ?
C4 C3 H11 120.5 . . ?
C3 C2 C1 119.0(2) . . ?
C3 C2 H12 120.5 . . ?
C1 C2 H12 120.5 . . ?
N1 C1 C2 122.9(2) . . ?
N1 C1 H13 118.5 . . ?
C2 C1 H13 118.5 . . ?

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
C1 N1 C5 C4 0.4(3) . . . . ?
Ag1 N1 C5 C4 176.57(15) . . . . ?
C1 N1 C5 C6 -178.80(18) . . . . ?
Ag1 N1 C5 C6 -2.6(2) . . . . ?
N1 C5 C6 N3 10.8(3) . . . . ?
C4 C5 C6 N3 -168.37(19) . . . . ?
C5 C6 N3 C7 -177.39(17) . . . . ?
C5 C6 N3 Ag1 -12.6(2) . . . . ?
C6 N3 C7 C8 -20.4(3) . . . . ?
Ag1 N3 C7 C8 176.02(15) . . . . ?
C6 N3 C7 C12 161.71(19) . . . . ?
Ag1 N3 C7 C12 -1.8(2) . . . . ?
C12 C7 C8 C9 -2.7(3) . . . . ?
N3 C7 C8 C9 179.58(19) . . . . ?
C7 C8 C9 C10 -0.4(3) . . . . ?
C8 C9 C10 C11 2.3(3) . . . . ?
C9 C10 C11 C12 -1.1(3) . . . . ?
C10 C11 C12 C7 -2.0(3) . . . . ?
C10 C11 C12 N4 178.30(19) . . . . ?
C8 C7 C12 C11 3.9(3) . . . . ?
N3 C7 C12 C11 -178.16(17) . . . . ?
C8 C7 C12 N4 -176.42(18) . . . . ?
N3 C7 C12 N4 1.5(3) . . . . ?
C11 C12 N4 C13 -8.4(3) . . . . ?
C7 C12 N4 C13 171.90(19) . . . . ?
C11 C12 N4 Ag1 179.02(15) . . . . ?
C7 C12 N4 Ag1 -0.7(2) . . . . ?
C12 N4 C13 C14 -178.32(17) . . . . ?
Ag1 N4 C13 C14 -5.2(2) . . . . ?
C18 N5 C14 C15 0.8(3) . . . . ?
Ag1 N5 C14 C15 173.27(15) . . . . ?
C18 N5 C14 C13 -178.98(18) . . . . ?
Ag1 N5 C14 C13 -6.5(2) . . . . ?
N4 C13 C14 N5 8.0(3) . . . . ?
N4 C13 C14 C15 -171.78(19) . . . . ?
C14 N5 C18 C17 0.5(3) . . . . ?
Ag1 N5 C18 C17 -171.55(16) . . . . ?
N5 C18 C17 C16 -0.8(3) . . . . ?
C18 C17 C16 C15 -0.2(3) . . . . ?
N5 C14 C15 C16 -1.8(3) . . . . ?
C13 C14 C15 C16 178.00(19) . . . . ?
C17 C16 C15 C14 1.4(3) . . . . ?
N1 C5 C4 C3 -2.2(3) . . . . ?
C6 C5 C4 C3 176.95(19) . . . . ?
C5 C4 C3 C2 2.1(3) . . . . ?
C4 C3 C2 C1 -0.3(3) . . . . ?
C5 N1 C1 C2 1.6(3) . . . . ?
Ag1 N1 C1 C2 -174.48(16) . . . . ?
C3 C2 C1 N1 -1.6(3) . . . . ?

_refine_diff_density_max         1.816
_refine_diff_density_min         -0.599
_refine_diff_density_rms         0.101

####################################################################### 
# 
# 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_shelx_CCDC1
_database_code_depnum_ccdc_archive 'CCDC 2033493'
loop_
_audit_author_name
_audit_author_address
'Matthew Piers Akerman' 'University of KwaZulu Natal'
_audit_update_record             
;
2020-09-23 deposited with the CCDC.	2021-01-08 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C18 H14 Ag N4, F6 Sb [+ solvent]'
_chemical_formula_sum            'C18 H14 Ag F6 N4 Sb'
_chemical_formula_weight         629.96

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'
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'
H H 0.0000 0.0000 '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                   13.6966(13)
_cell_length_b                   13.1588(12)
_cell_length_c                   26.895(3)
_cell_angle_alpha                90
_cell_angle_beta                 96.078(4)
_cell_angle_gamma                90
_cell_volume                     4820.1(8)
_cell_formula_units_Z            8
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9294
_cell_measurement_theta_min      1.5
_cell_measurement_theta_max      28.1

_exptl_crystal_description       needle
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.736
_exptl_crystal_F_000             2416
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.210
_exptl_crystal_size_mid          0.080
_exptl_crystal_size_min          0.010
_exptl_absorpt_coefficient_mu    1.989
_shelx_estimated_absorpt_T_min   0.680
_shelx_estimated_absorpt_T_max   0.980
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5493
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_process_details   'SADABS, Bruker 2012'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'Incoatec microsource'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_diffrn_measurement_method       'ω and φ-scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            34605
_diffrn_reflns_av_unetI/netI     0.0566
_diffrn_reflns_av_R_equivalents  0.0409
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_theta_min         1.495
_diffrn_reflns_theta_max         28.053
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.970
_diffrn_measured_fraction_theta_full 0.989
_diffrn_reflns_Laue_measured_fraction_max 0.970
_diffrn_reflns_Laue_measured_fraction_full 0.989
_diffrn_reflns_point_group_measured_fraction_max 0.970
_diffrn_reflns_point_group_measured_fraction_full 0.989
_reflns_number_total             11340
_reflns_number_gt                9294
_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.
 
 Structure factors included contributions from the .fab file.
 
 _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       'APEX2 (Bruker, 2012)'
_computing_cell_refinement       'SAINT-Plus (Bruker, 2012)'
_computing_data_reduction        'SAINT-Plus (Bruker, 2012)'
_computing_structure_solution    'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'WinGX (Farrugia, 2012)'
_computing_publication_material  ?
_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)+(0.0132P)²+145.7698P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_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         11340
_refine_ls_number_parameters     541
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1064
_refine_ls_R_factor_gt           0.0909
_refine_ls_wR_factor_ref         0.1851
_refine_ls_wR_factor_gt          0.1788
_refine_ls_goodness_of_fit_ref   1.135
_refine_ls_restrained_S_all      1.135
_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
Sb1 Sb 0.57209(5) 0.89800(5) 0.38668(3) 0.02203(16) Uani 1 1 d . . . . .
Sb2 Sb 0.93381(5) 1.38586(5) 0.12945(3) 0.02244(16) Uani 1 1 d . . . . .
Ag1 Ag 0.57028(6) 1.39507(6) 0.32780(3) 0.02333(17) Uani 1 1 d . . . . .
Ag2 Ag 0.91818(6) 0.88615(6) 0.17519(3) 0.02446(18) Uani 1 1 d . . . . .
F1 F 0.5472(7) 0.7689(5) 0.4094(3) 0.052(2) Uani 1 1 d . . . . .
F2 F 0.5669(7) 0.8576(5) 0.3193(3) 0.054(2) Uani 1 1 d . . . . .
F3 F 0.5955(7) 1.0284(5) 0.3634(3) 0.050(2) Uani 1 1 d . . . . .
F4 F 0.4370(5) 0.9258(6) 0.3794(3) 0.055(2) Uani 1 1 d . . . . .
F5 F 0.7064(6) 0.8717(7) 0.3933(4) 0.069(3) Uani 1 1 d . . . . .
F6 F 0.5803(6) 0.9498(6) 0.4521(2) 0.0450(19) Uani 1 1 d . . . . .
F7 F 0.9186(6) 1.3498(5) 0.0622(3) 0.0461(19) Uani 1 1 d . . . . .
F8 F 0.9072(5) 1.2509(5) 0.1472(2) 0.0385(17) Uani 1 1 d . . . . .
F9 F 0.7988(5) 1.4124(6) 0.1287(4) 0.060(2) Uani 1 1 d . . . . .
F10 F 0.9560(5) 1.5210(4) 0.1114(3) 0.0394(17) Uani 1 1 d . . . . .
F11 F 1.0668(5) 1.3552(5) 0.1323(3) 0.0457(19) Uani 1 1 d . . . . .
F12 F 0.9480(6) 1.4215(7) 0.1972(3) 0.058(2) Uani 1 1 d . . . . .
N1 N 0.6942(6) 1.5213(6) 0.3220(3) 0.0199(17) Uani 1 1 d . . . . .
N2 N 0.6685(6) 1.3424(5) 0.2702(3) 0.0155(15) Uani 1 1 d . . . . .
N3 N 0.5782(6) 0.9806(6) 0.1643(3) 0.0163(16) Uani 1 1 d . . . . .
N5 N 0.7993(6) 0.7610(6) 0.1851(3) 0.0213(17) Uani 1 1 d . . . . .
N6 N 0.8269(6) 0.9393(6) 0.2375(3) 0.0169(16) Uani 1 1 d . . . . .
C25 C 0.8478(6) 1.0296(6) 0.2650(3) 0.0136(17) Uani 1 1 d . . . . .
N7 N 0.9353(6) 1.3011(6) 0.3389(3) 0.0176(16) Uani 1 1 d . . . . .
C14 C 0.5963(7) 0.8519(6) 0.1047(4) 0.019(2) Uani 1 1 d . . . . .
C16 C 0.6236(9) 0.7212(8) 0.0451(4) 0.032(3) Uani 1 1 d . . . . .
H16 H 0.6622 0.6907 0.0218 0.038 Uiso 1 1 calc R U . . .
C1 C 0.7081(8) 1.6105(9) 0.3457(4) 0.031(2) Uani 1 1 d . . . . .
H1 H 0.6592 1.6335 0.3655 0.037 Uiso 1 1 calc R U . . .
C2 C 0.7913(8) 1.6717(7) 0.3426(4) 0.025(2) Uani 1 1 d . . . . .
H2 H 0.8007 1.7327 0.3614 0.030 Uiso 1 1 calc R U . . .
C3 C 0.8587(7) 1.6398(8) 0.3114(4) 0.022(2) Uani 1 1 d . . . . .
H3 H 0.9153 1.6799 0.3080 0.027 Uiso 1 1 calc R U . . .
C4 C 0.8447(7) 1.5505(7) 0.2849(4) 0.023(2) Uani 1 1 d . . . . .
H4 H 0.8912 1.5285 0.2633 0.027 Uiso 1 1 calc R U . . .
C5 C 0.7606(7) 1.4925(7) 0.2904(4) 0.0168(18) Uani 1 1 d . . . . .
C6 C 0.7425(7) 1.3982(7) 0.2634(3) 0.0190(19) Uani 1 1 d . . . . .
H6 H 0.7863 1.3774 0.2402 0.023 Uiso 1 1 calc R U . . .
C7 C 0.6513(6) 1.2508(7) 0.2417(4) 0.0155(18) Uani 1 1 d . . . . .
C8 C 0.6085(6) 1.1702(7) 0.2647(3) 0.0146(17) Uani 1 1 d . . . . .
H8 H 0.5946 1.1767 0.2984 0.018 Uiso 1 1 calc R U . . .
C9 C 0.5857(6) 1.0805(7) 0.2392(3) 0.0158(18) Uani 1 1 d . . . . .
H9 H 0.5567 1.0254 0.2551 0.019 Uiso 1 1 calc R U . . .
C10 C 0.6063(6) 1.0727(7) 0.1898(4) 0.0161(18) Uani 1 1 d . . . . .
C11 C 0.6472(7) 1.1542(7) 0.1662(4) 0.0195(19) Uani 1 1 d . . . . .
H11 H 0.6596 1.1486 0.1322 0.023 Uiso 1 1 calc R U . . .
C12 C 0.6693(7) 1.2423(7) 0.1919(4) 0.020(2) Uani 1 1 d . . . . .
H12 H 0.6971 1.2978 0.1758 0.024 Uiso 1 1 calc R U . . .
C13 C 0.6286(7) 0.9443(7) 0.1316(4) 0.020(2) Uani 1 1 d . . . . .
H13 H 0.6874 0.9772 0.1246 0.024 Uiso 1 1 calc R U . . .
C15 C 0.6543(9) 0.8087(8) 0.0701(4) 0.032(2) Uani 1 1 d . . . . .
H15 H 0.7145 0.8397 0.0641 0.038 Uiso 1 1 calc R U . . .
C32 C 0.9337(9) 1.4296(8) 0.4014(4) 0.028(2) Uani 1 1 d . . . . .
C19 C 0.7853(8) 0.6746(7) 0.1600(4) 0.024(2) Uani 1 1 d . . . . .
H19 H 0.8304 0.6548 0.1373 0.029 Uiso 1 1 calc R U . . .
C20 C 0.7053(8) 0.6128(8) 0.1664(4) 0.028(2) Uani 1 1 d . . . . .
H20 H 0.6970 0.5515 0.1477 0.034 Uiso 1 1 calc R U . . .
C21 C 0.6381(7) 0.6372(7) 0.1986(4) 0.022(2) Uani 1 1 d . . . . .
H21 H 0.5830 0.5950 0.2022 0.027 Uiso 1 1 calc R U . . .
C22 C 0.6546(7) 0.7282(7) 0.2265(4) 0.022(2) Uani 1 1 d . . . . .
H22 H 0.6106 0.7491 0.2495 0.026 Uiso 1 1 calc R U . . .
C23 C 0.7369(7) 0.7861(7) 0.2191(4) 0.0179(19) Uani 1 1 d . . . . .
C24 C 0.7571(7) 0.8805(6) 0.2473(4) 0.0190(19) Uani 1 1 d . . . . .
H24 H 0.7178 0.8982 0.2730 0.023 Uiso 1 1 calc R U . . .
C30 C 0.8260(7) 1.0451(7) 0.3142(4) 0.0189(19) Uani 1 1 d . . . . .
H30 H 0.7922 0.9939 0.3305 0.023 Uiso 1 1 calc R U . . .
C29 C 0.8531(7) 1.1329(7) 0.3390(3) 0.0175(18) Uani 1 1 d . . . . .
H29 H 0.8393 1.1421 0.3726 0.021 Uiso 1 1 calc R U . . .
C28 C 0.9016(7) 1.2098(7) 0.3146(3) 0.0162(18) Uani 1 1 d . . . . .
C31 C 0.8970(8) 1.3364(7) 0.3762(4) 0.025(2) Uani 1 1 d . . . . .
H31 H 0.8433 1.3016 0.3881 0.030 Uiso 1 1 calc R U . . .
C33 C 0.8800(10) 1.4737(8) 0.4378(4) 0.033(3) Uani 1 1 d . . . . .
H33 H 0.8222 1.4426 0.4474 0.040 Uiso 1 1 calc R U . . .
C34 C 0.9153(11) 1.5655(9) 0.4591(4) 0.040(3) Uani 1 1 d . . . . .
H34 H 0.8808 1.5986 0.4833 0.048 Uiso 1 1 calc R U . . .
C27 C 0.9239(7) 1.1948(7) 0.2664(3) 0.0173(18) Uani 1 1 d . . . . .
H27 H 0.9591 1.2453 0.2504 0.021 Uiso 1 1 calc R U . . .
C26 C 0.8946(7) 1.1053(7) 0.2410(3) 0.0196(19) Uani 1 1 d . . . . .
H26 H 0.9070 1.0966 0.2072 0.024 Uiso 1 1 calc R U . . .
N4 N 0.5084(7) 0.8114(6) 0.1129(3) 0.0233(18) Uani 1 1 d . . . . .
N8 N 1.0198(8) 1.4703(6) 0.3881(3) 0.032(2) Uani 1 1 d . . . . .
C18 C 0.4793(9) 0.7265(7) 0.0890(4) 0.027(2) Uani 1 1 d . . . . .
H18 H 0.4186 0.6970 0.0954 0.033 Uiso 1 1 calc R U . . .
C36 C 1.0478(10) 1.5584(9) 0.4098(4) 0.034(3) Uani 1 1 d . . . . .
H36 H 1.1053 1.5901 0.4002 0.041 Uiso 1 1 calc R U . . .
C17 C 0.5348(10) 0.6787(8) 0.0547(4) 0.034(3) Uani 1 1 d . . . . .
H17 H 0.5118 0.6180 0.0383 0.040 Uiso 1 1 calc R U . . .
C35 C 0.9979(11) 1.6064(10) 0.4454(4) 0.045(3) Uani 1 1 d . . . . .
H35 H 1.0223 1.6683 0.4600 0.054 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
Sb1 F1 1.849(7) . ?
Sb1 F5 1.862(8) . ?
Sb1 F3 1.866(6) . ?
Sb1 F4 1.876(7) . ?
Sb1 F6 1.880(7) . ?
Sb1 F2 1.883(8) . ?
Sb2 F11 1.860(7) . ?
Sb2 F7 1.860(7) . ?
Sb2 F12 1.872(8) . ?
Sb2 F10 1.877(6) . ?
Sb2 F9 1.880(7) . ?
Sb2 F8 1.885(6) . ?
Ag1 N2 2.266(8) . ?
Ag1 N4 2.298(9) 2_655 ?
Ag1 N3 2.354(8) 2_655 ?
Ag1 N1 2.392(8) . ?
Ag2 N8 2.269(10) 2_745 ?
Ag2 N6 2.303(8) . ?
Ag2 N5 2.351(8) . ?
Ag2 N7 2.363(8) 2_745 ?
N1 C1 1.338(13) . ?
N1 C5 1.362(12) . ?
N2 C6 1.280(12) . ?
N2 C7 1.435(11) . ?
N3 C13 1.267(12) . ?
N3 C10 1.425(11) . ?
N3 Ag1 2.354(8) 2_645 ?
N5 C19 1.325(12) . ?
N5 C23 1.358(12) . ?
N6 C24 1.278(12) . ?
N6 C25 1.412(11) . ?
C25 C26 1.381(13) . ?
C25 C30 1.403(13) . ?
N7 C31 1.269(12) . ?
N7 C28 1.421(12) . ?
N7 Ag2 2.363(8) 2_755 ?
C14 N4 1.357(13) . ?
C14 C15 1.404(15) . ?
C14 C13 1.460(13) . ?
C16 C15 1.377(15) . ?
C16 C17 1.387(18) . ?
C16 H16 0.9500 . ?
C1 C2 1.404(15) . ?
C1 H1 0.9500 . ?
C2 C3 1.378(14) . ?
C2 H2 0.9500 . ?
C3 C4 1.377(13) . ?
C3 H3 0.9500 . ?
C4 C5 1.402(14) . ?
C4 H4 0.9500 . ?
C5 C6 1.447(13) . ?
C6 H6 0.9500 . ?
C7 C8 1.389(13) . ?
C7 C12 1.391(14) . ?
C8 C9 1.384(12) . ?
C8 H8 0.9500 . ?
C9 C10 1.392(13) . ?
C9 H9 0.9500 . ?
C10 C11 1.393(13) . ?
C11 C12 1.367(12) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
C13 H13 0.9500 . ?
C15 H15 0.9500 . ?
C32 N8 1.378(15) . ?
C32 C33 1.409(14) . ?
C32 C31 1.464(15) . ?
C19 C20 1.390(14) . ?
C19 H19 0.9500 . ?
C20 C21 1.368(15) . ?
C20 H20 0.9500 . ?
C21 C22 1.418(13) . ?
C21 H21 0.9500 . ?
C22 C23 1.392(13) . ?
C22 H22 0.9500 . ?
C23 C24 1.466(13) . ?
C24 H24 0.9500 . ?
C30 C29 1.365(13) . ?
C30 H30 0.9500 . ?
C29 C28 1.411(12) . ?
C29 H29 0.9500 . ?
C28 C27 1.376(13) . ?
C31 H31 0.9500 . ?
C33 C34 1.401(16) . ?
C33 H33 0.9500 . ?
C34 C35 1.34(2) . ?
C34 H34 0.9500 . ?
C27 C26 1.398(13) . ?
C27 H27 0.9500 . ?
C26 H26 0.9500 . ?
N4 C18 1.328(12) . ?
N4 Ag1 2.298(9) 2_645 ?
N8 C36 1.336(14) . ?
N8 Ag2 2.269(10) 2_755 ?
C18 C17 1.405(16) . ?
C18 H18 0.9500 . ?
C36 C35 1.385(17) . ?
C36 H36 0.9500 . ?
C17 H17 0.9500 . ?
C35 H35 0.9500 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
F1 Sb1 F5 90.7(4) . . ?
F1 Sb1 F3 179.2(4) . . ?
F5 Sb1 F3 90.0(4) . . ?
F1 Sb1 F4 89.9(4) . . ?
F5 Sb1 F4 179.3(5) . . ?
F3 Sb1 F4 89.3(4) . . ?
F1 Sb1 F6 91.1(3) . . ?
F5 Sb1 F6 91.0(4) . . ?
F3 Sb1 F6 89.2(3) . . ?
F4 Sb1 F6 89.3(4) . . ?
F1 Sb1 F2 94.0(3) . . ?
F5 Sb1 F2 88.6(4) . . ?
F3 Sb1 F2 85.8(3) . . ?
F4 Sb1 F2 91.0(4) . . ?
F6 Sb1 F2 175.0(3) . . ?
F11 Sb2 F7 89.6(4) . . ?
F11 Sb2 F12 90.8(4) . . ?
F7 Sb2 F12 179.4(4) . . ?
F11 Sb2 F10 91.8(3) . . ?
F7 Sb2 F10 89.7(3) . . ?
F12 Sb2 F10 90.7(4) . . ?
F11 Sb2 F9 177.4(4) . . ?
F7 Sb2 F9 91.6(4) . . ?
F12 Sb2 F9 88.0(4) . . ?
F10 Sb2 F9 90.5(3) . . ?
F11 Sb2 F8 90.0(3) . . ?
F7 Sb2 F8 90.1(3) . . ?
F12 Sb2 F8 89.5(3) . . ?
F10 Sb2 F8 178.2(3) . . ?
F9 Sb2 F8 87.8(3) . . ?
N2 Ag1 N4 133.2(3) . 2_655 ?
N2 Ag1 N3 142.2(3) . 2_655 ?
N4 Ag1 N3 72.1(3) 2_655 2_655 ?
N2 Ag1 N1 72.0(3) . . ?
N4 Ag1 N1 140.0(3) 2_655 . ?
N3 Ag1 N1 107.5(3) 2_655 . ?
N8 Ag2 N6 132.3(3) 2_745 . ?
N8 Ag2 N5 138.2(3) 2_745 . ?
N6 Ag2 N5 72.2(3) . . ?
N8 Ag2 N7 73.7(3) 2_745 2_745 ?
N6 Ag2 N7 142.7(3) . 2_745 ?
N5 Ag2 N7 107.2(3) . 2_745 ?
C1 N1 C5 117.9(9) . . ?
C1 N1 Ag1 130.1(7) . . ?
C5 N1 Ag1 111.9(6) . . ?
C6 N2 C7 119.6(8) . . ?
C6 N2 Ag1 117.3(6) . . ?
C7 N2 Ag1 123.1(6) . . ?
C13 N3 C10 121.0(8) . . ?
C13 N3 Ag1 115.0(6) . 2_645 ?
C10 N3 Ag1 123.7(6) . 2_645 ?
C19 N5 C23 119.0(9) . . ?
C19 N5 Ag2 127.5(7) . . ?
C23 N5 Ag2 113.5(6) . . ?
C24 N6 C25 121.1(8) . . ?
C24 N6 Ag2 116.2(6) . . ?
C25 N6 Ag2 122.7(6) . . ?
C26 C25 C30 119.4(8) . . ?
C26 C25 N6 116.2(8) . . ?
C30 C25 N6 124.4(8) . . ?
C31 N7 C28 122.2(9) . . ?
C31 N7 Ag2 112.4(7) . 2_755 ?
C28 N7 Ag2 124.5(6) . 2_755 ?
N4 C14 C15 121.6(9) . . ?
N4 C14 C13 118.3(9) . . ?
C15 C14 C13 120.2(9) . . ?
C15 C16 C17 118.3(11) . . ?
C15 C16 H16 120.9 . . ?
C17 C16 H16 120.9 . . ?
N1 C1 C2 123.4(10) . . ?
N1 C1 H1 118.3 . . ?
C2 C1 H1 118.3 . . ?
C3 C2 C1 117.4(10) . . ?
C3 C2 H2 121.3 . . ?
C1 C2 H2 121.3 . . ?
C4 C3 C2 120.7(10) . . ?
C4 C3 H3 119.7 . . ?
C2 C3 H3 119.7 . . ?
C3 C4 C5 118.6(10) . . ?
C3 C4 H4 120.7 . . ?
C5 C4 H4 120.7 . . ?
N1 C5 C4 121.7(9) . . ?
N1 C5 C6 117.5(8) . . ?
C4 C5 C6 120.8(9) . . ?
N2 C6 C5 121.1(9) . . ?
N2 C6 H6 119.5 . . ?
C5 C6 H6 119.5 . . ?
C8 C7 C12 119.6(8) . . ?
C8 C7 N2 117.2(8) . . ?
C12 C7 N2 123.0(8) . . ?
C9 C8 C7 121.0(8) . . ?
C9 C8 H8 119.5 . . ?
C7 C8 H8 119.5 . . ?
C8 C9 C10 118.6(8) . . ?
C8 C9 H9 120.7 . . ?
C10 C9 H9 120.7 . . ?
C9 C10 C11 120.6(8) . . ?
C9 C10 N3 116.8(8) . . ?
C11 C10 N3 122.4(8) . . ?
C12 C11 C10 120.1(9) . . ?
C12 C11 H11 120.0 . . ?
C10 C11 H11 120.0 . . ?
C11 C12 C7 120.1(9) . . ?
C11 C12 H12 119.9 . . ?
C7 C12 H12 119.9 . . ?
N3 C13 C14 120.0(9) . . ?
N3 C13 H13 120.0 . . ?
C14 C13 H13 120.0 . . ?
C16 C15 C14 119.8(11) . . ?
C16 C15 H15 120.1 . . ?
C14 C15 H15 120.1 . . ?
N8 C32 C33 123.0(11) . . ?
N8 C32 C31 117.7(9) . . ?
C33 C32 C31 119.2(11) . . ?
N5 C19 C20 120.9(10) . . ?
N5 C19 H19 119.6 . . ?
C20 C19 H19 119.6 . . ?
C21 C20 C19 122.2(10) . . ?
C21 C20 H20 118.9 . . ?
C19 C20 H20 118.9 . . ?
C20 C21 C22 116.9(9) . . ?
C20 C21 H21 121.5 . . ?
C22 C21 H21 121.5 . . ?
C23 C22 C21 118.3(9) . . ?
C23 C22 H22 120.9 . . ?
C21 C22 H22 120.9 . . ?
N5 C23 C22 122.7(9) . . ?
N5 C23 C24 117.2(8) . . ?
C22 C23 C24 120.1(9) . . ?
N6 C24 C23 120.7(9) . . ?
N6 C24 H24 119.7 . . ?
C23 C24 H24 119.7 . . ?
C29 C30 C25 120.7(8) . . ?
C29 C30 H30 119.7 . . ?
C25 C30 H30 119.7 . . ?
C30 C29 C28 119.8(9) . . ?
C30 C29 H29 120.1 . . ?
C28 C29 H29 120.1 . . ?
C27 C28 C29 119.9(9) . . ?
C27 C28 N7 117.4(8) . . ?
C29 C28 N7 122.6(8) . . ?
N7 C31 C32 121.6(10) . . ?
N7 C31 H31 119.2 . . ?
C32 C31 H31 119.2 . . ?
C34 C33 C32 117.1(12) . . ?
C34 C33 H33 121.4 . . ?
C32 C33 H33 121.4 . . ?
C35 C34 C33 119.9(11) . . ?
C35 C34 H34 120.1 . . ?
C33 C34 H34 120.1 . . ?
C28 C27 C26 119.9(9) . . ?
C28 C27 H27 120.0 . . ?
C26 C27 H27 120.0 . . ?
C25 C26 C27 120.3(8) . . ?
C25 C26 H26 119.9 . . ?
C27 C26 H26 119.9 . . ?
C18 N4 C14 118.5(9) . . ?
C18 N4 Ag1 126.9(8) . 2_645 ?
C14 N4 Ag1 114.5(6) . 2_645 ?
C36 N8 C32 116.0(10) . . ?
C36 N8 Ag2 129.6(9) . 2_755 ?
C32 N8 Ag2 113.9(7) . 2_755 ?
N4 C18 C17 122.6(11) . . ?
N4 C18 H18 118.7 . . ?
C17 C18 H18 118.7 . . ?
N8 C36 C35 123.9(13) . . ?
N8 C36 H36 118.1 . . ?
C35 C36 H36 118.1 . . ?
C16 C17 C18 119.2(10) . . ?
C16 C17 H17 120.4 . . ?
C18 C17 H17 120.4 . . ?
C34 C35 C36 120.0(12) . . ?
C34 C35 H35 120.0 . . ?
C36 C35 H35 120.0 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C24 N6 C25 C26 -155.4(9) . . . . ?
Ag2 N6 C25 C26 26.7(11) . . . . ?
C24 N6 C25 C30 26.1(14) . . . . ?
Ag2 N6 C25 C30 -151.8(7) . . . . ?
C5 N1 C1 C2 -5.2(15) . . . . ?
Ag1 N1 C1 C2 172.4(8) . . . . ?
N1 C1 C2 C3 3.7(16) . . . . ?
C1 C2 C3 C4 -0.9(15) . . . . ?
C2 C3 C4 C5 0.0(15) . . . . ?
C1 N1 C5 C4 4.1(14) . . . . ?
Ag1 N1 C5 C4 -174.0(7) . . . . ?
C1 N1 C5 C6 -177.3(9) . . . . ?
Ag1 N1 C5 C6 4.7(10) . . . . ?
C3 C4 C5 N1 -1.5(14) . . . . ?
C3 C4 C5 C6 179.9(9) . . . . ?
C7 N2 C6 C5 178.3(8) . . . . ?
Ag1 N2 C6 C5 -1.8(11) . . . . ?
N1 C5 C6 N2 -2.2(13) . . . . ?
C4 C5 C6 N2 176.4(9) . . . . ?
C6 N2 C7 C8 147.8(8) . . . . ?
Ag1 N2 C7 C8 -32.2(10) . . . . ?
C6 N2 C7 C12 -36.7(12) . . . . ?
Ag1 N2 C7 C12 143.4(7) . . . . ?
C12 C7 C8 C9 1.7(13) . . . . ?
N2 C7 C8 C9 177.4(8) . . . . ?
C7 C8 C9 C10 -0.2(13) . . . . ?
C8 C9 C10 C11 -1.3(13) . . . . ?
C8 C9 C10 N3 -177.6(8) . . . . ?
C13 N3 C10 C9 -146.6(9) . . . . ?
Ag1 N3 C10 C9 40.4(10) 2_645 . . . ?
C13 N3 C10 C11 37.1(13) . . . . ?
Ag1 N3 C10 C11 -135.9(8) 2_645 . . . ?
C9 C10 C11 C12 1.4(14) . . . . ?
N3 C10 C11 C12 177.5(9) . . . . ?
C10 C11 C12 C7 0.1(14) . . . . ?
C8 C7 C12 C11 -1.6(14) . . . . ?
N2 C7 C12 C11 -177.1(8) . . . . ?
C10 N3 C13 C14 -177.7(8) . . . . ?
Ag1 N3 C13 C14 -4.1(11) 2_645 . . . ?
N4 C14 C13 N3 4.8(14) . . . . ?
C15 C14 C13 N3 -176.9(9) . . . . ?
C17 C16 C15 C14 0.5(16) . . . . ?
N4 C14 C15 C16 -2.2(16) . . . . ?
C13 C14 C15 C16 179.7(10) . . . . ?
C23 N5 C19 C20 3.1(14) . . . . ?
Ag2 N5 C19 C20 -173.3(7) . . . . ?
N5 C19 C20 C21 -0.3(16) . . . . ?
C19 C20 C21 C22 -1.3(15) . . . . ?
C20 C21 C22 C23 0.2(14) . . . . ?
C19 N5 C23 C22 -4.3(14) . . . . ?
Ag2 N5 C23 C22 172.5(7) . . . . ?
C19 N5 C23 C24 177.9(9) . . . . ?
Ag2 N5 C23 C24 -5.2(10) . . . . ?
C21 C22 C23 N5 2.7(14) . . . . ?
C21 C22 C23 C24 -179.7(9) . . . . ?
C25 N6 C24 C23 -179.1(8) . . . . ?
Ag2 N6 C24 C23 -1.1(11) . . . . ?
N5 C23 C24 N6 4.4(13) . . . . ?
C22 C23 C24 N6 -173.4(9) . . . . ?
C26 C25 C30 C29 -1.8(14) . . . . ?
N6 C25 C30 C29 176.7(8) . . . . ?
C25 C30 C29 C28 1.3(14) . . . . ?
C30 C29 C28 C27 -1.8(14) . . . . ?
C30 C29 C28 N7 -177.4(8) . . . . ?
C31 N7 C28 C27 159.4(9) . . . . ?
Ag2 N7 C28 C27 -32.0(11) 2_755 . . . ?
C31 N7 C28 C29 -24.9(14) . . . . ?
Ag2 N7 C28 C29 143.6(7) 2_755 . . . ?
C28 N7 C31 C32 178.8(9) . . . . ?
Ag2 N7 C31 C32 9.0(12) 2_755 . . . ?
N8 C32 C31 N7 -9.1(15) . . . . ?
C33 C32 C31 N7 170.7(10) . . . . ?
N8 C32 C33 C34 2.8(17) . . . . ?
C31 C32 C33 C34 -176.9(10) . . . . ?
C32 C33 C34 C35 -1.2(18) . . . . ?
C29 C28 C27 C26 2.8(14) . . . . ?
N7 C28 C27 C26 178.6(8) . . . . ?
C30 C25 C26 C27 2.8(14) . . . . ?
N6 C25 C26 C27 -175.9(8) . . . . ?
C28 C27 C26 C25 -3.3(14) . . . . ?
C15 C14 N4 C18 2.7(14) . . . . ?
C13 C14 N4 C18 -179.1(9) . . . . ?
C15 C14 N4 Ag1 179.0(8) . . . 2_645 ?
C13 C14 N4 Ag1 -2.8(11) . . . 2_645 ?
C33 C32 N8 C36 -3.6(16) . . . . ?
C31 C32 N8 C36 176.2(10) . . . . ?
C33 C32 N8 Ag2 -176.1(9) . . . 2_755 ?
C31 C32 N8 Ag2 3.7(12) . . . 2_755 ?
C14 N4 C18 C17 -1.6(15) . . . . ?
Ag1 N4 C18 C17 -177.4(8) 2_645 . . . ?
C32 N8 C36 C35 2.9(17) . . . . ?
Ag2 N8 C36 C35 174.0(9) 2_755 . . . ?
C15 C16 C17 C18 0.6(16) . . . . ?
N4 C18 C17 C16 -0.1(16) . . . . ?
C33 C34 C35 C36 0.5(19) . . . . ?
N8 C36 C35 C34 -1.5(19) . . . . ?

_refine_diff_density_max         3.352
_refine_diff_density_min         -4.123
_refine_diff_density_rms         0.228



####################################################################### 
# 
# 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_shelx_CCDC2
_database_code_depnum_ccdc_archive 'CCDC 2033492'
loop_
_audit_author_name
_audit_author_address
'Matthew Piers Akerman' 'University of KwaZulu Natal'
_audit_update_record             
;
2020-09-23 deposited with the CCDC.	2021-01-08 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C36 H28 Ag2 N8, 2(F6 Sb)'
_chemical_formula_sum            'C36 H28 Ag2 F12 N8 Sb2'
_chemical_formula_weight         1259.92

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           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                   16.2711(10)
_cell_length_b                   15.9716(11)
_cell_length_c                   15.6817(11)
_cell_angle_alpha                90
_cell_angle_beta                 102.447(3)
_cell_angle_gamma                90
_cell_volume                     3979.5(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    5303
_cell_measurement_theta_min      1.8
_cell_measurement_theta_max      29.1

_exptl_crystal_description       needle
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.103
_exptl_crystal_F_000             2416
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.110
_exptl_crystal_size_mid          0.070
_exptl_crystal_size_min          0.040
_exptl_absorpt_coefficient_mu    2.409
_shelx_estimated_absorpt_T_min   0.778
_shelx_estimated_absorpt_T_max   0.910
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6622
_exptl_absorpt_correction_T_max  0.7458
_exptl_absorpt_process_details   'SADABS, Bruker 2012'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'Incoatec microsource'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_diffrn_measurement_method       'ω and φ-scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            20063
_diffrn_reflns_av_unetI/netI     0.0248
_diffrn_reflns_av_R_equivalents  0.0264
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         1.808
_diffrn_reflns_theta_max         29.065
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measured_fraction_theta_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_point_group_measured_fraction_full 0.996
_reflns_number_total             5303
_reflns_number_gt                4950
_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       'APEX2 (Bruker, 2012)'
_computing_cell_refinement       'SAINT-Plus (Bruker, 2012)'
_computing_data_reduction        'SAINT-Plus (Bruker, 2012)'
_computing_structure_solution    'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'WinGX (Farrugia, 2012)'
_computing_publication_material  ?
_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)+(0.0164P)²+7.6221P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_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         5303
_refine_ls_number_parameters     271
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0245
_refine_ls_R_factor_gt           0.0223
_refine_ls_wR_factor_ref         0.0492
_refine_ls_wR_factor_gt          0.0479
_refine_ls_goodness_of_fit_ref   1.051
_refine_ls_restrained_S_all      1.051
_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
C1 C 0.51646(15) 0.38352(14) 0.86213(15) 0.0219(4) Uani 1 1 d . . . . .
H1 H 0.4701 0.4160 0.8709 0.026 Uiso 1 1 calc R U . . .
C2 C 0.58657(16) 0.42491(14) 0.84615(15) 0.0246(5) Uani 1 1 d . . . . .
H2 H 0.5877 0.4843 0.8435 0.030 Uiso 1 1 calc R U . . .
C3 C 0.65415(15) 0.37857(15) 0.83422(16) 0.0267(5) Uani 1 1 d . . . . .
H3 H 0.7031 0.4054 0.8236 0.032 Uiso 1 1 calc R U . . .
C4 C 0.65015(14) 0.29211(15) 0.83792(15) 0.0232(5) Uani 1 1 d . . . . .
H4 H 0.6963 0.2587 0.8303 0.028 Uiso 1 1 calc R U . . .
C5 C 0.57754(13) 0.25508(13) 0.85301(14) 0.0170(4) Uani 1 1 d . . . . .
C6 C 0.57095(13) 0.16328(13) 0.85596(14) 0.0175(4) Uani 1 1 d . . . . .
H6 H 0.6188 0.1299 0.8540 0.021 Uiso 1 1 calc R U . . .
C7 C 0.49875(13) 0.04009(13) 0.87255(13) 0.0150(4) Uani 1 1 d . . . . .
C8 C 0.42238(13) -0.00041(14) 0.83880(14) 0.0182(4) Uani 1 1 d . . . . .
H8 H 0.3766 0.0296 0.8044 0.022 Uiso 1 1 calc R U . . .
C9 C 0.41428(13) -0.08495(13) 0.85613(14) 0.0198(4) Uani 1 1 d . . . . .
H9 H 0.3630 -0.1130 0.8322 0.024 Uiso 1 1 calc R U . . .
C10 C 0.43396(12) 0.00423(12) 1.07690(13) 0.0140(4) Uani 1 1 d . . . . .
H10 H 0.3820 -0.0232 1.0544 0.017 Uiso 1 1 calc R U . . .
C11 C 0.52000(13) 0.12889(13) 1.09220(14) 0.0177(4) Uani 1 1 d . . . . .
H11 H 0.5271 0.1861 1.0790 0.021 Uiso 1 1 calc R U . . .
C12 C 0.44341(12) 0.08892(12) 1.05959(13) 0.0142(4) Uani 1 1 d . . . . .
C13 C 0.30215(13) 0.11897(13) 0.99821(13) 0.0156(4) Uani 1 1 d . . . . .
H13 H 0.2866 0.0779 1.0356 0.019 Uiso 1 1 calc R U . . .
C14 C 0.23612(13) 0.16335(12) 0.93488(13) 0.0149(4) Uani 1 1 d . . . . .
C15 C 0.15162(13) 0.14417(13) 0.92986(14) 0.0187(4) Uani 1 1 d . . . . .
H15 H 0.1359 0.1037 0.9678 0.022 Uiso 1 1 calc R U . . .
C16 C 0.09077(13) 0.18537(14) 0.86820(15) 0.0213(4) Uani 1 1 d . . . . .
H16 H 0.0328 0.1726 0.8624 0.026 Uiso 1 1 calc R U . . .
C17 C 0.11590(14) 0.24491(14) 0.81569(14) 0.0204(4) Uani 1 1 d . . . . .
H17 H 0.0755 0.2742 0.7733 0.025 Uiso 1 1 calc R U . . .
C18 C 0.20149(14) 0.26157(14) 0.82566(14) 0.0182(4) Uani 1 1 d . . . . .
H18 H 0.2183 0.3035 0.7900 0.022 Uiso 1 1 calc R U . . .
N1 N 0.51107(11) 0.30047(11) 0.86574(12) 0.0177(4) Uani 1 1 d . . . . .
N2 N 0.50191(11) 0.12792(11) 0.86106(11) 0.0150(3) Uani 1 1 d . . . . .
N3 N 0.37958(11) 0.13522(10) 1.00323(11) 0.0141(3) Uani 1 1 d . . . . .
N4 N 0.26102(11) 0.22131(11) 0.88311(11) 0.0153(3) Uani 1 1 d . . . . .
F1 F 0.20459(13) -0.03589(9) 0.65459(12) 0.0463(5) Uani 1 1 d . . . . .
F2 F 0.09608(9) 0.06497(9) 0.70717(10) 0.0300(3) Uani 1 1 d . . . . .
F3 F 0.08232(11) 0.03228(14) 0.54008(11) 0.0588(6) Uani 1 1 d . . . . .
F4 F 0.25491(9) 0.11235(10) 0.71771(9) 0.0349(3) Uani 1 1 d . . . . .
F5 F 0.23887(9) 0.08229(9) 0.54972(9) 0.0273(3) Uani 1 1 d . . . . .
F6 F 0.13180(11) 0.18412(10) 0.60424(12) 0.0466(5) Uani 1 1 d . . . . .
Ag1 Ag 0.39940(2) 0.23169(2) 0.88916(2) 0.01874(4) Uani 1 1 d . . . . .
Sb1 Sb 0.16720(2) 0.07425(2) 0.62855(2) 0.01628(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
C1 N1 1.331(3) . ?
C1 C2 1.387(3) . ?
C1 H1 0.9500 . ?
C2 C3 1.371(3) . ?
C2 H2 0.9500 . ?
C3 C4 1.384(3) . ?
C3 H3 0.9500 . ?
C4 C5 1.386(3) . ?
C4 H4 0.9500 . ?
C5 N1 1.352(3) . ?
C5 C6 1.472(3) . ?
C6 N2 1.275(3) . ?
C6 H6 0.9500 . ?
C7 C10 1.398(3) 5_657 ?
C7 C8 1.400(3) . ?
C7 N2 1.417(3) . ?
C8 C9 1.389(3) . ?
C8 H8 0.9500 . ?
C9 C11 1.385(3) 5_657 ?
C9 H9 0.9500 . ?
C10 C12 1.395(3) . ?
C10 C7 1.398(3) 5_657 ?
C10 H10 0.9500 . ?
C11 C9 1.385(3) 5_657 ?
C11 C12 1.395(3) . ?
C11 H11 0.9500 . ?
C12 N3 1.418(2) . ?
C13 N3 1.272(3) . ?
C13 C14 1.478(3) . ?
C13 H13 0.9500 . ?
C14 N4 1.350(3) . ?
C14 C15 1.394(3) . ?
C15 C16 1.391(3) . ?
C15 H15 0.9500 . ?
C16 C17 1.377(3) . ?
C16 H16 0.9500 . ?
C17 C18 1.393(3) . ?
C17 H17 0.9500 . ?
C18 N4 1.337(3) . ?
C18 H18 0.9500 . ?
N1 Ag1 2.2206(18) . ?
N2 Ag1 2.4577(17) . ?
N3 Ag1 2.4344(17) . ?
N4 Ag1 2.2392(17) . ?
F1 Sb1 1.8772(15) . ?
F2 Sb1 1.8697(14) . ?
F3 Sb1 1.8589(15) . ?
F4 Sb1 1.8713(14) . ?
F5 Sb1 1.8778(13) . ?
F6 Sb1 1.8606(15) . ?

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
N1 C1 C2 123.2(2) . . ?
N1 C1 H1 118.4 . . ?
C2 C1 H1 118.4 . . ?
C3 C2 C1 118.8(2) . . ?
C3 C2 H2 120.6 . . ?
C1 C2 H2 120.6 . . ?
C2 C3 C4 119.1(2) . . ?
C2 C3 H3 120.5 . . ?
C4 C3 H3 120.5 . . ?
C3 C4 C5 118.8(2) . . ?
C3 C4 H4 120.6 . . ?
C5 C4 H4 120.6 . . ?
N1 C5 C4 122.3(2) . . ?
N1 C5 C6 117.61(19) . . ?
C4 C5 C6 120.1(2) . . ?
N2 C6 C5 120.96(19) . . ?
N2 C6 H6 119.5 . . ?
C5 C6 H6 119.5 . . ?
C10 C7 C8 120.22(19) 5_657 . ?
C10 C7 N2 121.88(18) 5_657 . ?
C8 C7 N2 117.59(18) . . ?
C9 C8 C7 119.29(19) . . ?
C9 C8 H8 120.4 . . ?
C7 C8 H8 120.4 . . ?
C11 C9 C8 120.86(19) 5_657 . ?
C11 C9 H9 119.6 5_657 . ?
C8 C9 H9 119.6 . . ?
C12 C10 C7 119.73(18) . 5_657 ?
C12 C10 H10 120.1 . . ?
C7 C10 H10 120.1 5_657 . ?
C9 C11 C12 119.9(2) 5_657 . ?
C9 C11 H11 120.1 5_657 . ?
C12 C11 H11 120.1 . . ?
C10 C12 C11 119.97(18) . . ?
C10 C12 N3 122.03(18) . . ?
C11 C12 N3 117.78(18) . . ?
N3 C13 C14 120.71(19) . . ?
N3 C13 H13 119.6 . . ?
C14 C13 H13 119.6 . . ?
N4 C14 C15 122.47(19) . . ?
N4 C14 C13 117.66(18) . . ?
C15 C14 C13 119.87(19) . . ?
C16 C15 C14 118.7(2) . . ?
C16 C15 H15 120.6 . . ?
C14 C15 H15 120.6 . . ?
C17 C16 C15 118.9(2) . . ?
C17 C16 H16 120.5 . . ?
C15 C16 H16 120.5 . . ?
C16 C17 C18 118.9(2) . . ?
C16 C17 H17 120.5 . . ?
C18 C17 H17 120.5 . . ?
N4 C18 C17 123.1(2) . . ?
N4 C18 H18 118.5 . . ?
C17 C18 H18 118.5 . . ?
C1 N1 C5 117.75(19) . . ?
C1 N1 Ag1 124.32(15) . . ?
C5 N1 Ag1 117.92(14) . . ?
C6 N2 C7 120.21(18) . . ?
C6 N2 Ag1 110.71(14) . . ?
C7 N2 Ag1 126.89(13) . . ?
C13 N3 C12 120.98(18) . . ?
C13 N3 Ag1 111.71(13) . . ?
C12 N3 Ag1 126.35(13) . . ?
C18 N4 C14 117.86(18) . . ?
C18 N4 Ag1 124.67(14) . . ?
C14 N4 Ag1 117.05(13) . . ?
N1 Ag1 N4 151.73(6) . . ?
N1 Ag1 N3 132.64(6) . . ?
N4 Ag1 N3 72.12(6) . . ?
N1 Ag1 N2 72.11(6) . . ?
N4 Ag1 N2 131.11(6) . . ?
N3 Ag1 N2 84.69(6) . . ?
F3 Sb1 F6 92.28(10) . . ?
F3 Sb1 F2 89.87(7) . . ?
F6 Sb1 F2 90.10(7) . . ?
F3 Sb1 F4 177.69(9) . . ?
F6 Sb1 F4 89.94(8) . . ?
F2 Sb1 F4 90.80(7) . . ?
F3 Sb1 F1 88.76(10) . . ?
F6 Sb1 F1 178.96(9) . . ?
F2 Sb1 F1 89.99(7) . . ?
F4 Sb1 F1 89.03(8) . . ?
F3 Sb1 F5 90.01(7) . . ?
F6 Sb1 F5 90.53(7) . . ?
F2 Sb1 F5 179.37(6) . . ?
F4 Sb1 F5 89.29(6) . . ?
F1 Sb1 F5 89.38(7) . . ?

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
N1 C1 C2 C3 -0.6(4) . . . . ?
C1 C2 C3 C4 0.4(4) . . . . ?
C2 C3 C4 C5 0.4(4) . . . . ?
C3 C4 C5 N1 -1.2(4) . . . . ?
C3 C4 C5 C6 179.1(2) . . . . ?
N1 C5 C6 N2 7.3(3) . . . . ?
C4 C5 C6 N2 -173.0(2) . . . . ?
C10 C7 C8 C9 0.0(3) 5_657 . . . ?
N2 C7 C8 C9 -173.71(19) . . . . ?
C7 C8 C9 C11 1.4(3) . . . 5_657 ?
C7 C10 C12 C11 0.4(3) 5_657 . . . ?
C7 C10 C12 N3 175.01(18) 5_657 . . . ?
C9 C11 C12 C10 -1.9(3) 5_657 . . . ?
C9 C11 C12 N3 -176.70(19) 5_657 . . . ?
N3 C13 C14 N4 -0.1(3) . . . . ?
N3 C13 C14 C15 179.46(19) . . . . ?
N4 C14 C15 C16 1.1(3) . . . . ?
C13 C14 C15 C16 -178.43(19) . . . . ?
C14 C15 C16 C17 -1.5(3) . . . . ?
C15 C16 C17 C18 0.4(3) . . . . ?
C16 C17 C18 N4 1.2(3) . . . . ?
C2 C1 N1 C5 -0.1(3) . . . . ?
C2 C1 N1 Ag1 -179.05(17) . . . . ?
C4 C5 N1 C1 1.0(3) . . . . ?
C6 C5 N1 C1 -179.25(19) . . . . ?
C4 C5 N1 Ag1 -179.97(17) . . . . ?
C6 C5 N1 Ag1 -0.2(3) . . . . ?
C5 C6 N2 C7 -173.73(18) . . . . ?
C5 C6 N2 Ag1 -9.4(2) . . . . ?
C10 C7 N2 C6 35.3(3) 5_657 . . . ?
C8 C7 N2 C6 -151.1(2) . . . . ?
C10 C7 N2 Ag1 -126.26(18) 5_657 . . . ?
C8 C7 N2 Ag1 47.4(2) . . . . ?
C14 C13 N3 C12 -175.65(17) . . . . ?
C14 C13 N3 Ag1 -6.1(2) . . . . ?
C10 C12 N3 C13 33.2(3) . . . . ?
C11 C12 N3 C13 -152.1(2) . . . . ?
C10 C12 N3 Ag1 -134.69(16) . . . . ?
C11 C12 N3 Ag1 40.0(2) . . . . ?
C17 C18 N4 C14 -1.6(3) . . . . ?
C17 C18 N4 Ag1 170.74(16) . . . . ?
C15 C14 N4 C18 0.4(3) . . . . ?
C13 C14 N4 C18 179.95(18) . . . . ?
C15 C14 N4 Ag1 -172.47(15) . . . . ?
C13 C14 N4 Ag1 7.0(2) . . . . ?

_refine_diff_density_max         0.585
_refine_diff_density_min         -0.569
_refine_diff_density_rms         0.085

####################################################################### 
# 
# 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_shelx_CCDC3
_database_code_depnum_ccdc_archive 'CCDC 2033491'
loop_
_audit_author_name
_audit_author_address
'Matthew Piers Akerman' 'University of KwaZulu Natal'
_audit_update_record             
;
2020-09-23 deposited with the CCDC.	2021-01-08 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C18 H14 Ag N4, C24 H20 B'
_chemical_formula_sum            'C42 H34 Ag B N4'
_chemical_formula_weight         713.41

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'
B B 0.0013 0.0007 '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'

_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                   16.2241(15)
_cell_length_b                   9.2420(9)
_cell_length_c                   23.889(2)
_cell_angle_alpha                90
_cell_angle_beta                 107.447(2)
_cell_angle_gamma                90
_cell_volume                     3417.2(6)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    5621
_cell_measurement_theta_min      1.3
_cell_measurement_theta_max      26.0

_exptl_crystal_description       needle
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.387
_exptl_crystal_F_000             1464
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.150
_exptl_crystal_size_mid          0.060
_exptl_crystal_size_min          0.040
_exptl_absorpt_coefficient_mu    0.626
_shelx_estimated_absorpt_T_min   0.912
_shelx_estimated_absorpt_T_max   0.975
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6197
_exptl_absorpt_correction_T_max  0.7453
_exptl_absorpt_process_details   'SADABS, Bruker 2012'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'Incoatec microsource'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_diffrn_measurement_method       'ω and φ-scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            19959
_diffrn_reflns_av_unetI/netI     0.0315
_diffrn_reflns_av_R_equivalents  0.0247
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_theta_min         1.316
_diffrn_reflns_theta_max         26.037
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             6707
_reflns_number_gt                5621
_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       'APEX2 (Bruker, 2012)'
_computing_cell_refinement       'SAINT-Plus (Bruker, 2012)'
_computing_data_reduction        'SAINT-Plus (Bruker, 2012)'
_computing_structure_solution    'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'WinGX (Farrugia, 2012)'
_computing_publication_material  ?
_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)+(0.0263P)²+3.2456P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_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         6707
_refine_ls_number_parameters     433
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0396
_refine_ls_R_factor_gt           0.0289
_refine_ls_wR_factor_ref         0.0695
_refine_ls_wR_factor_gt          0.0656
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_restrained_S_all      1.046
_refine_ls_shift/su_max          0.003
_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 0.66259(2) -0.58758(2) 0.89353(2) 0.01983(6) Uani 1 1 d . . . . .
N1 N 0.78600(11) -0.68581(19) 0.88790(8) 0.0149(4) Uani 1 1 d . . . . .
N2 N 0.69346(11) -0.4865(2) 0.80619(8) 0.0149(4) Uani 1 1 d . . . . .
N3 N 0.49260(11) -0.11020(19) 0.63355(8) 0.0132(4) Uani 1 1 d . . . . .
N4 N 0.38523(11) 0.05535(19) 0.54388(8) 0.0146(4) Uani 1 1 d . . . . .
C1 C 0.83680(15) -0.7723(3) 0.92837(10) 0.0204(5) Uani 1 1 d . . . . .
H1 H 0.8186 -0.7993 0.9612 0.024 Uiso 1 1 calc R U . . .
C2 C 0.91531(15) -0.8247(3) 0.92471(11) 0.0230(5) Uani 1 1 d . . . . .
H2 H 0.9502 -0.8847 0.9548 0.028 Uiso 1 1 calc R U . . .
C3 C 0.94182(15) -0.7886(3) 0.87696(11) 0.0220(5) Uani 1 1 d . . . . .
H3 H 0.9952 -0.8232 0.8735 0.026 Uiso 1 1 calc R U . . .
C4 C 0.88904(14) -0.7010(2) 0.83418(10) 0.0188(5) Uani 1 1 d . . . . .
H4 H 0.9052 -0.6757 0.8004 0.023 Uiso 1 1 calc R U . . .
C5 C 0.81214(14) -0.6502(2) 0.84109(9) 0.0133(4) Uani 1 1 d . . . . .
C6 C 0.75813(14) -0.5514(2) 0.79757(10) 0.0152(5) Uani 1 1 d . . . . .
H6 H 0.7715 -0.5350 0.7620 0.018 Uiso 1 1 calc R U . . .
C7 C 0.64666(14) -0.3873(2) 0.76307(9) 0.0155(5) Uani 1 1 d . . . . .
C8 C 0.68503(14) -0.3043(2) 0.72909(10) 0.0182(5) Uani 1 1 d . . . . .
H9 H 0.7456 -0.3113 0.7354 0.022 Uiso 1 1 calc R U . . .
C9 C 0.63680(14) -0.2126(2) 0.68671(10) 0.0177(5) Uani 1 1 d . . . . .
H10 H 0.6641 -0.1570 0.6639 0.021 Uiso 1 1 calc R U . . .
C10 C 0.54773(13) -0.2006(2) 0.67689(9) 0.0138(4) Uani 1 1 d . . . . .
C13 C 0.52513(14) -0.0145(2) 0.60754(9) 0.0142(5) Uani 1 1 d . . . . .
H13 H 0.5861 -0.0024 0.6191 0.017 Uiso 1 1 calc R U . . .
C14 C 0.47155(13) 0.0765(2) 0.56075(9) 0.0129(4) Uani 1 1 d . . . . .
C18 C 0.33786(15) 0.1359(3) 0.49933(10) 0.0194(5) Uani 1 1 d . . . . .
H18 H 0.2771 0.1216 0.4864 0.023 Uiso 1 1 calc R U . . .
C17 C 0.37297(15) 0.2394(3) 0.47094(10) 0.0203(5) Uani 1 1 d . . . . .
H17 H 0.3369 0.2935 0.4392 0.024 Uiso 1 1 calc R U . . .
C16 C 0.46080(14) 0.2625(2) 0.48952(10) 0.0186(5) Uani 1 1 d . . . . .
H16 H 0.4863 0.3345 0.4716 0.022 Uiso 1 1 calc R U . . .
C15 C 0.51115(14) 0.1784(2) 0.53480(10) 0.0166(5) Uani 1 1 d . . . . .
H15 H 0.5721 0.1903 0.5480 0.020 Uiso 1 1 calc R U . . .
C11 C 0.50934(14) -0.2830(3) 0.71091(10) 0.0212(5) Uani 1 1 d . . . . .
H11 H 0.4487 -0.2766 0.7044 0.025 Uiso 1 1 calc R U . . .
C12 C 0.55822(15) -0.3739(3) 0.75406(10) 0.0218(5) Uani 1 1 d . . . . .
H12 H 0.5313 -0.4275 0.7777 0.026 Uiso 1 1 calc R U . . .
C22 C 0.08364(14) 0.2316(3) 0.26920(10) 0.0230(5) Uani 1 1 d . . . . .
H22 H 0.0640 0.1587 0.2402 0.028 Uiso 1 1 calc R U . . .
C23 C 0.13266(14) 0.1958(3) 0.32551(10) 0.0196(5) Uani 1 1 d . . . . .
H23 H 0.1462 0.0974 0.3357 0.024 Uiso 1 1 calc R U . . .
C24 C 0.16225(14) 0.3039(2) 0.36734(10) 0.0154(5) Uani 1 1 d . . . . .
H24 H 0.1954 0.2763 0.4058 0.019 Uiso 1 1 calc R U . . .
C19 C 0.14546(13) 0.4516(2) 0.35543(9) 0.0134(4) Uani 1 1 d . . . . .
C25 C 0.11455(15) 0.7020(2) 0.40739(10) 0.0183(5) Uani 1 1 d . . . . .
C26 C 0.02645(15) 0.6719(3) 0.39342(11) 0.0228(5) Uani 1 1 d . . . . .
H26 H 0.0058 0.5809 0.3764 0.027 Uiso 1 1 calc R U . . .
C27 C -0.03229(17) 0.7711(3) 0.40360(12) 0.0330(6) Uani 1 1 d . . . . .
H27 H -0.0919 0.7467 0.3932 0.040 Uiso 1 1 calc R U . . .
C28 C -0.00494(19) 0.9043(3) 0.42855(12) 0.0343(7) Uani 1 1 d . . . . .
H28 H -0.0450 0.9712 0.4358 0.041 Uiso 1 1 calc R U . . .
C34 C 0.3525(2) 0.7842(3) 0.29962(12) 0.0385(8) Uani 1 1 d . . . . .
H34 H 0.3865 0.8243 0.2773 0.046 Uiso 1 1 calc R U . . .
C33 C 0.27368(19) 0.8443(3) 0.29666(11) 0.0328(7) Uani 1 1 d . . . . .
H33 H 0.2527 0.9253 0.2721 0.039 Uiso 1 1 calc R U . . .
C32 C 0.22495(17) 0.7849(3) 0.33016(10) 0.0249(6) Uani 1 1 d . . . . .
H32 H 0.1708 0.8278 0.3278 0.030 Uiso 1 1 calc R U . . .
C31 C 0.25195(15) 0.6650(2) 0.36713(10) 0.0184(5) Uani 1 1 d . . . . .
C36 C 0.33223(15) 0.6070(3) 0.36814(11) 0.0232(5) Uani 1 1 d . . . . .
H36 H 0.3535 0.5251 0.3921 0.028 Uiso 1 1 calc R U . . .
C35 C 0.38200(17) 0.6655(3) 0.33511(12) 0.0338(7) Uani 1 1 d . . . . .
H35 H 0.4363 0.6236 0.3370 0.041 Uiso 1 1 calc R U . . .
C21 C 0.06357(15) 0.3763(3) 0.25576(10) 0.0217(5) Uani 1 1 d . . . . .
H21 H 0.0288 0.4027 0.2175 0.026 Uiso 1 1 calc R U . . .
C20 C 0.09430(14) 0.4823(3) 0.29817(10) 0.0171(5) Uani 1 1 d . . . . .
H20 H 0.0799 0.5803 0.2878 0.021 Uiso 1 1 calc R U . . .
C37 C 0.23738(14) 0.5320(2) 0.46714(10) 0.0166(5) Uani 1 1 d . . . . .
C42 C 0.19916(15) 0.4322(2) 0.49626(10) 0.0190(5) Uani 1 1 d . . . . .
H42 H 0.1447 0.3920 0.4755 0.023 Uiso 1 1 calc R U . . .
C41 C 0.23727(16) 0.3897(3) 0.55390(10) 0.0262(6) Uani 1 1 d . . . . .
H41 H 0.2094 0.3204 0.5714 0.031 Uiso 1 1 calc R U . . .
C40 C 0.31572(17) 0.4479(3) 0.58609(11) 0.0311(6) Uani 1 1 d . . . . .
H40 H 0.3425 0.4183 0.6254 0.037 Uiso 1 1 calc R U . . .
C39 C 0.35446(16) 0.5500(3) 0.55993(10) 0.0275(6) Uani 1 1 d . . . . .
H39 H 0.4074 0.5933 0.5818 0.033 Uiso 1 1 calc R U . . .
C38 C 0.31625(15) 0.5892(3) 0.50193(10) 0.0220(5) Uani 1 1 d . . . . .
H38 H 0.3449 0.6583 0.4849 0.026 Uiso 1 1 calc R U . . .
C30 C 0.13960(17) 0.8391(3) 0.43243(11) 0.0264(6) Uani 1 1 d . . . . .
H30 H 0.1990 0.8649 0.4427 0.032 Uiso 1 1 calc R U . . .
C29 C 0.08159(19) 0.9383(3) 0.44274(12) 0.0333(7) Uani 1 1 d . . . . .
H29 H 0.1015 1.0297 0.4596 0.040 Uiso 1 1 calc R U . . .
B1 B 0.18767(16) 0.5860(3) 0.40007(11) 0.0155(5) 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 N1 2.2389(18) . ?
Ag1 N4 2.2974(18) 2_646 ?
Ag1 N3 2.4134(17) 2_646 ?
Ag1 N2 2.4704(18) . ?
N1 C1 1.332(3) . ?
N1 C5 1.350(3) . ?
N2 C6 1.278(3) . ?
N2 C7 1.417(3) . ?
N3 C13 1.282(3) . ?
N3 C10 1.419(3) . ?
N3 Ag1 2.4134(17) 2_656 ?
N4 C18 1.337(3) . ?
N4 C14 1.350(3) . ?
N4 Ag1 2.2974(18) 2_656 ?
C1 C2 1.390(3) . ?
C1 H1 0.9500 . ?
C2 C3 1.375(3) . ?
C2 H2 0.9500 . ?
C3 C4 1.382(3) . ?
C3 H3 0.9500 . ?
C4 C5 1.388(3) . ?
C4 H4 0.9500 . ?
C5 C6 1.462(3) . ?
C6 H6 0.9500 . ?
C7 C12 1.391(3) . ?
C7 C8 1.392(3) . ?
C8 C9 1.371(3) . ?
C8 H9 0.9500 . ?
C9 C10 1.397(3) . ?
C9 H10 0.9500 . ?
C10 C11 1.390(3) . ?
C13 C14 1.459(3) . ?
C13 H13 0.9500 . ?
C14 C15 1.387(3) . ?
C18 C17 1.390(3) . ?
C18 H18 0.9500 . ?
C17 C16 1.376(3) . ?
C17 H17 0.9500 . ?
C16 C15 1.383(3) . ?
C16 H16 0.9500 . ?
C15 H15 0.9500 . ?
C11 C12 1.381(3) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
C22 C23 1.382(3) . ?
C22 C21 1.391(4) . ?
C22 H22 0.9500 . ?
C23 C24 1.392(3) . ?
C23 H23 0.9500 . ?
C24 C19 1.404(3) . ?
C24 H24 0.9500 . ?
C19 C20 1.400(3) . ?
C19 B1 1.647(3) . ?
C25 C26 1.395(3) . ?
C25 C30 1.408(3) . ?
C25 B1 1.647(3) . ?
C26 C27 1.395(3) . ?
C26 H26 0.9500 . ?
C27 C28 1.382(4) . ?
C27 H27 0.9500 . ?
C28 C29 1.378(4) . ?
C28 H28 0.9500 . ?
C34 C33 1.377(4) . ?
C34 C35 1.381(4) . ?
C34 H34 0.9500 . ?
C33 C32 1.395(3) . ?
C33 H33 0.9500 . ?
C32 C31 1.403(3) . ?
C32 H32 0.9500 . ?
C31 C36 1.402(3) . ?
C31 B1 1.653(3) . ?
C36 C35 1.396(3) . ?
C36 H36 0.9500 . ?
C35 H35 0.9500 . ?
C21 C20 1.390(3) . ?
C21 H21 0.9500 . ?
C20 H20 0.9500 . ?
C37 C38 1.404(3) . ?
C37 C42 1.407(3) . ?
C37 B1 1.640(3) . ?
C42 C41 1.386(3) . ?
C42 H42 0.9500 . ?
C41 C40 1.383(4) . ?
C41 H41 0.9500 . ?
C40 C39 1.382(4) . ?
C40 H40 0.9500 . ?
C39 C38 1.386(3) . ?
C39 H39 0.9500 . ?
C38 H38 0.9500 . ?
C30 C29 1.388(3) . ?
C30 H30 0.9500 . ?
C29 H29 0.9500 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 Ag1 N4 139.01(6) . 2_646 ?
N1 Ag1 N3 145.96(6) . 2_646 ?
N4 Ag1 N3 72.27(6) 2_646 2_646 ?
N1 Ag1 N2 72.01(6) . . ?
N4 Ag1 N2 121.73(6) 2_646 . ?
N3 Ag1 N2 105.41(6) 2_646 . ?
C1 N1 C5 117.88(19) . . ?
C1 N1 Ag1 124.72(15) . . ?
C5 N1 Ag1 117.35(14) . . ?
C6 N2 C7 118.25(18) . . ?
C6 N2 Ag1 110.06(14) . . ?
C7 N2 Ag1 131.16(13) . . ?
C13 N3 C10 119.91(18) . . ?
C13 N3 Ag1 111.00(14) . 2_656 ?
C10 N3 Ag1 128.69(13) . 2_656 ?
C18 N4 C14 117.02(19) . . ?
C18 N4 Ag1 127.78(15) . 2_656 ?
C14 N4 Ag1 114.29(14) . 2_656 ?
N1 C1 C2 122.9(2) . . ?
N1 C1 H1 118.6 . . ?
C2 C1 H1 118.6 . . ?
C3 C2 C1 119.2(2) . . ?
C3 C2 H2 120.4 . . ?
C1 C2 H2 120.4 . . ?
C2 C3 C4 118.5(2) . . ?
C2 C3 H3 120.8 . . ?
C4 C3 H3 120.8 . . ?
C3 C4 C5 119.4(2) . . ?
C3 C4 H4 120.3 . . ?
C5 C4 H4 120.3 . . ?
N1 C5 C4 122.2(2) . . ?
N1 C5 C6 118.12(19) . . ?
C4 C5 C6 119.68(19) . . ?
N2 C6 C5 121.7(2) . . ?
N2 C6 H6 119.2 . . ?
C5 C6 H6 119.2 . . ?
C12 C7 C8 118.8(2) . . ?
C12 C7 N2 118.24(19) . . ?
C8 C7 N2 122.98(19) . . ?
C9 C8 C7 121.0(2) . . ?
C9 C8 H9 119.5 . . ?
C7 C8 H9 119.5 . . ?
C8 C9 C10 120.4(2) . . ?
C8 C9 H10 119.8 . . ?
C10 C9 H10 119.8 . . ?
C11 C10 C9 118.7(2) . . ?
C11 C10 N3 117.01(18) . . ?
C9 C10 N3 124.27(19) . . ?
N3 C13 C14 122.11(19) . . ?
N3 C13 H13 118.9 . . ?
C14 C13 H13 118.9 . . ?
N4 C14 C15 122.9(2) . . ?
N4 C14 C13 118.14(19) . . ?
C15 C14 C13 118.97(19) . . ?
N4 C18 C17 123.4(2) . . ?
N4 C18 H18 118.3 . . ?
C17 C18 H18 118.3 . . ?
C16 C17 C18 119.0(2) . . ?
C16 C17 H17 120.5 . . ?
C18 C17 H17 120.5 . . ?
C17 C16 C15 118.5(2) . . ?
C17 C16 H16 120.8 . . ?
C15 C16 H16 120.8 . . ?
C16 C15 C14 119.2(2) . . ?
C16 C15 H15 120.4 . . ?
C14 C15 H15 120.4 . . ?
C12 C11 C10 120.8(2) . . ?
C12 C11 H11 119.6 . . ?
C10 C11 H11 119.6 . . ?
C11 C12 C7 120.3(2) . . ?
C11 C12 H12 119.8 . . ?
C7 C12 H12 119.8 . . ?
C23 C22 C21 118.8(2) . . ?
C23 C22 H22 120.6 . . ?
C21 C22 H22 120.6 . . ?
C22 C23 C24 120.1(2) . . ?
C22 C23 H23 120.0 . . ?
C24 C23 H23 120.0 . . ?
C23 C24 C19 123.2(2) . . ?
C23 C24 H24 118.4 . . ?
C19 C24 H24 118.4 . . ?
C20 C19 C24 114.7(2) . . ?
C20 C19 B1 119.30(19) . . ?
C24 C19 B1 125.8(2) . . ?
C26 C25 C30 115.2(2) . . ?
C26 C25 B1 124.3(2) . . ?
C30 C25 B1 120.4(2) . . ?
C25 C26 C27 122.1(2) . . ?
C25 C26 H26 118.9 . . ?
C27 C26 H26 118.9 . . ?
C28 C27 C26 120.8(3) . . ?
C28 C27 H27 119.6 . . ?
C26 C27 H27 119.6 . . ?
C29 C28 C27 118.8(2) . . ?
C29 C28 H28 120.6 . . ?
C27 C28 H28 120.6 . . ?
C33 C34 C35 119.8(2) . . ?
C33 C34 H34 120.1 . . ?
C35 C34 H34 120.1 . . ?
C34 C33 C32 119.3(3) . . ?
C34 C33 H33 120.3 . . ?
C32 C33 H33 120.3 . . ?
C33 C32 C31 123.2(3) . . ?
C33 C32 H32 118.4 . . ?
C31 C32 H32 118.4 . . ?
C36 C31 C32 115.2(2) . . ?
C36 C31 B1 122.6(2) . . ?
C32 C31 B1 121.7(2) . . ?
C35 C36 C31 122.3(3) . . ?
C35 C36 H36 118.9 . . ?
C31 C36 H36 118.9 . . ?
C34 C35 C36 120.1(3) . . ?
C34 C35 H35 119.9 . . ?
C36 C35 H35 119.9 . . ?
C20 C21 C22 120.1(2) . . ?
C20 C21 H21 120.0 . . ?
C22 C21 H21 120.0 . . ?
C21 C20 C19 123.2(2) . . ?
C21 C20 H20 118.4 . . ?
C19 C20 H20 118.4 . . ?
C38 C37 C42 114.4(2) . . ?
C38 C37 B1 123.9(2) . . ?
C42 C37 B1 121.5(2) . . ?
C41 C42 C37 123.1(2) . . ?
C41 C42 H42 118.5 . . ?
C37 C42 H42 118.5 . . ?
C40 C41 C42 120.3(2) . . ?
C40 C41 H41 119.9 . . ?
C42 C41 H41 119.9 . . ?
C39 C40 C41 118.8(2) . . ?
C39 C40 H40 120.6 . . ?
C41 C40 H40 120.6 . . ?
C40 C39 C38 120.2(2) . . ?
C40 C39 H39 119.9 . . ?
C38 C39 H39 119.9 . . ?
C39 C38 C37 123.3(2) . . ?
C39 C38 H38 118.4 . . ?
C37 C38 H38 118.4 . . ?
C29 C30 C25 123.0(3) . . ?
C29 C30 H30 118.5 . . ?
C25 C30 H30 118.5 . . ?
C28 C29 C30 120.1(3) . . ?
C28 C29 H29 120.0 . . ?
C30 C29 H29 120.0 . . ?
C37 B1 C19 112.97(19) . . ?
C37 B1 C25 104.66(17) . . ?
C19 B1 C25 112.78(18) . . ?
C37 B1 C31 113.81(18) . . ?
C19 B1 C31 102.96(17) . . ?
C25 B1 C31 109.89(19) . . ?

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 1.0(3) . . . . ?
Ag1 N1 C1 C2 -176.39(18) . . . . ?
N1 C1 C2 C3 -1.2(4) . . . . ?
C1 C2 C3 C4 0.0(4) . . . . ?
C2 C3 C4 C5 1.1(4) . . . . ?
C1 N1 C5 C4 0.2(3) . . . . ?
Ag1 N1 C5 C4 177.84(17) . . . . ?
C1 N1 C5 C6 -177.9(2) . . . . ?
Ag1 N1 C5 C6 -0.3(3) . . . . ?
C3 C4 C5 N1 -1.3(3) . . . . ?
C3 C4 C5 C6 176.8(2) . . . . ?
C7 N2 C6 C5 177.1(2) . . . . ?
Ag1 N2 C6 C5 -10.3(3) . . . . ?
N1 C5 C6 N2 8.1(3) . . . . ?
C4 C5 C6 N2 -170.2(2) . . . . ?
C6 N2 C7 C12 147.1(2) . . . . ?
Ag1 N2 C7 C12 -23.6(3) . . . . ?
C6 N2 C7 C8 -32.2(3) . . . . ?
Ag1 N2 C7 C8 157.11(17) . . . . ?
C12 C7 C8 C9 -1.2(3) . . . . ?
N2 C7 C8 C9 178.1(2) . . . . ?
C7 C8 C9 C10 0.1(4) . . . . ?
C8 C9 C10 C11 0.1(3) . . . . ?
C8 C9 C10 N3 -179.1(2) . . . . ?
C13 N3 C10 C11 168.5(2) . . . . ?
Ag1 N3 C10 C11 -3.6(3) 2_656 . . . ?
C13 N3 C10 C9 -12.3(3) . . . . ?
Ag1 N3 C10 C9 175.67(16) 2_656 . . . ?
C10 N3 C13 C14 177.04(19) . . . . ?
Ag1 N3 C13 C14 -9.6(2) 2_656 . . . ?
C18 N4 C14 C15 1.3(3) . . . . ?
Ag1 N4 C14 C15 -168.57(17) 2_656 . . . ?
C18 N4 C14 C13 -177.3(2) . . . . ?
Ag1 N4 C14 C13 12.8(2) 2_656 . . . ?
N3 C13 C14 N4 -1.6(3) . . . . ?
N3 C13 C14 C15 179.6(2) . . . . ?
C14 N4 C18 C17 -0.9(3) . . . . ?
Ag1 N4 C18 C17 167.44(17) 2_656 . . . ?
N4 C18 C17 C16 -0.7(4) . . . . ?
C18 C17 C16 C15 1.9(3) . . . . ?
C17 C16 C15 C14 -1.5(3) . . . . ?
N4 C14 C15 C16 -0.2(3) . . . . ?
C13 C14 C15 C16 178.5(2) . . . . ?
C9 C10 C11 C12 0.7(4) . . . . ?
N3 C10 C11 C12 180.0(2) . . . . ?
C10 C11 C12 C7 -1.7(4) . . . . ?
C8 C7 C12 C11 1.9(4) . . . . ?
N2 C7 C12 C11 -177.4(2) . . . . ?
C21 C22 C23 C24 -1.1(3) . . . . ?
C22 C23 C24 C19 -0.5(3) . . . . ?
C23 C24 C19 C20 1.6(3) . . . . ?
C23 C24 C19 B1 -172.3(2) . . . . ?
C30 C25 C26 C27 0.1(3) . . . . ?
B1 C25 C26 C27 176.2(2) . . . . ?
C25 C26 C27 C28 -0.4(4) . . . . ?
C26 C27 C28 C29 0.7(4) . . . . ?
C35 C34 C33 C32 0.6(4) . . . . ?
C34 C33 C32 C31 -0.3(4) . . . . ?
C33 C32 C31 C36 -0.3(3) . . . . ?
C33 C32 C31 B1 -172.7(2) . . . . ?
C32 C31 C36 C35 0.6(3) . . . . ?
B1 C31 C36 C35 172.9(2) . . . . ?
C33 C34 C35 C36 -0.3(4) . . . . ?
C31 C36 C35 C34 -0.3(4) . . . . ?
C23 C22 C21 C20 1.5(3) . . . . ?
C22 C21 C20 C19 -0.3(3) . . . . ?
C24 C19 C20 C21 -1.2(3) . . . . ?
B1 C19 C20 C21 173.1(2) . . . . ?
C38 C37 C42 C41 -2.1(3) . . . . ?
B1 C37 C42 C41 -176.6(2) . . . . ?
C37 C42 C41 C40 1.3(4) . . . . ?
C42 C41 C40 C39 0.8(4) . . . . ?
C41 C40 C39 C38 -2.0(4) . . . . ?
C40 C39 C38 C37 1.1(4) . . . . ?
C42 C37 C38 C39 0.8(3) . . . . ?
B1 C37 C38 C39 175.3(2) . . . . ?
C26 C25 C30 C29 0.0(3) . . . . ?
B1 C25 C30 C29 -176.3(2) . . . . ?
C27 C28 C29 C30 -0.6(4) . . . . ?
C25 C30 C29 C28 0.3(4) . . . . ?
C38 C37 B1 C19 139.2(2) . . . . ?
C42 C37 B1 C19 -46.8(3) . . . . ?
C38 C37 B1 C25 -97.8(2) . . . . ?
C42 C37 B1 C25 76.3(3) . . . . ?
C38 C37 B1 C31 22.2(3) . . . . ?
C42 C37 B1 C31 -163.7(2) . . . . ?
C20 C19 B1 C37 174.18(18) . . . . ?
C24 C19 B1 C37 -12.2(3) . . . . ?
C20 C19 B1 C25 55.7(3) . . . . ?
C24 C19 B1 C25 -130.7(2) . . . . ?
C20 C19 B1 C31 -62.6(2) . . . . ?
C24 C19 B1 C31 111.0(2) . . . . ?
C26 C25 B1 C37 -104.4(2) . . . . ?
C30 C25 B1 C37 71.6(2) . . . . ?
C26 C25 B1 C19 18.8(3) . . . . ?
C30 C25 B1 C19 -165.3(2) . . . . ?
C26 C25 B1 C31 133.0(2) . . . . ?
C30 C25 B1 C31 -51.0(3) . . . . ?
C36 C31 B1 C37 46.3(3) . . . . ?
C32 C31 B1 C37 -141.9(2) . . . . ?
C36 C31 B1 C19 -76.3(2) . . . . ?
C32 C31 B1 C19 95.5(2) . . . . ?
C36 C31 B1 C25 163.3(2) . . . . ?
C32 C31 B1 C25 -24.9(3) . . . . ?

_refine_diff_density_max         0.435
_refine_diff_density_min         -0.574
_refine_diff_density_rms         0.065

