# Electronic Supplementary Material (ESI) for Physical Chemistry Chemical Physics.
# This journal is © the Owner Societies 2020

####################################################################### 
# 
# 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 
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data_rad639_0m_a
_database_code_depnum_ccdc_archive 'CCDC 2016681'
loop_
_audit_author_name
_audit_author_address
'Rasika Dias'
;The University of Texas at Arlington
United States of America
;
_audit_update_record             
;
2020-07-15 deposited with the CCDC.	2021-01-05 downloaded from the CCDC.
;
_audit_creation_date             2018-06-22
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2017/1
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'F6 Sb, C31 H48 Cu N2 O, 2(C H2 Cl2)'
_chemical_formula_sum            'C33 H52 Cl4 Cu F6 N2 O Sb'
_chemical_formula_weight         933.85
_chemical_melting_point          ?
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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.5866 1.5461 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   17.0397(6)
_cell_length_b                   12.0879(4)
_cell_length_c                   21.5503(7)
_cell_angle_alpha                90
_cell_angle_beta                 113.0470(10)
_cell_angle_gamma                90
_cell_volume                     4084.5(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9734
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      30.55
_cell_measurement_theta_min      3.29
_shelx_estimated_absorpt_T_max   0.754
_shelx_estimated_absorpt_T_min   0.706
_exptl_absorpt_coefficient_mu    1.499
_exptl_absorpt_correction_T_max  0.4330
_exptl_absorpt_correction_T_min  0.3939
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.0597 before and 0.0532 after correction. The Ratio of minimum to maximum transmission is 0.9097. The λ/2 correction factor is Not present.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.519
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       blocks
_exptl_crystal_F_000             1896
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.2
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0299
_diffrn_reflns_av_unetI/netI     0.0259
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            54257
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.578
_diffrn_reflns_theta_min         2.837
_diffrn_ambient_temperature      100.01
_diffrn_detector_area_resol_mean 8
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  
'Bruker D8 Quest with a Photon 100 CMOS detector'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'sealed tube'
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                10587
_reflns_number_total             12526
_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.
;
_vrf_PLAT910_rad639_0m_a         
;
PROBLEM: Missing # of FCF Reflection(s) Below Theta(Min).         11 Note  
RESPONSE: these were partially obstructed by hardware
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.38A (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (?, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         1.096
_refine_diff_density_min         -1.102
_refine_diff_density_rms         0.076
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.016
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     443
_refine_ls_number_reflns         12526
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0373
_refine_ls_R_factor_gt           0.0280
_refine_ls_restrained_S_all      1.016
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0248P)²+3.6995P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0620
_refine_ls_wR_factor_ref         0.0655
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C10(H10), C13(H13), C22(H22), C25(H25)
2.b Secondary CH2 refined with riding coordinates:
 C2(H2A,H2B), C3(H3A,H3B), C29(H29A,H29B), C30(H30A,H30B), C32(H32A,H32B),
 C33(H33A,H33B)
2.c Aromatic/amide H refined with riding coordinates:
 C6(H6), C7(H7), C8(H8), C18(H18), C19(H19), C20(H20)
2.d Idealised Me refined as rotating group:
 C11(H11A,H11B,H11C), C12(H12A,H12B,H12C), C14(H14A,H14B,H14C), C15(H15A,H15B,
 H15C), C23(H23A,H23B,H23C), C24(H24A,H24B,H24C), C26(H26A,H26B,H26C), C27(H27A,
 H27B,H27C), C28(H28A,H28B,H28C), C31(H31A,H31B,H31C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Sb Sb 0.39675(2) 0.68257(2) 0.64154(2) 0.01533(3) Uani 1 1 d . . . . .
F1 F 0.43028(7) 0.78384(10) 0.59063(6) 0.0278(2) Uani 1 1 d . . . . .
F2 F 0.36097(7) 0.79917(9) 0.68169(6) 0.0254(2) Uani 1 1 d . . . . .
F3 F 0.28739(7) 0.67662(9) 0.57210(6) 0.0256(2) Uani 1 1 d . . . . .
F4 F 0.43151(8) 0.56408(10) 0.60206(6) 0.0324(3) Uani 1 1 d . . . . .
F5 F 0.50621(7) 0.68847(10) 0.71021(6) 0.0313(3) Uani 1 1 d . . . . .
F6 F 0.36106(7) 0.58203(9) 0.69148(6) 0.0262(2) Uani 1 1 d . . . . .
Cu Cu 0.63252(2) 0.17959(2) 0.89813(2) 0.01410(4) Uani 1 1 d . . . . .
O O 0.67526(8) 0.07537(10) 0.96920(6) 0.0215(2) Uani 1 1 d . . . . .
N1 N 0.50748(8) 0.28639(11) 0.78473(6) 0.0128(2) Uani 1 1 d . . . . .
N2 N 0.62998(8) 0.36923(11) 0.81643(6) 0.0129(2) Uani 1 1 d . . . . .
C1 C 0.58823(9) 0.28439(12) 0.82895(7) 0.0116(3) Uani 1 1 d . . . . .
C2 C 0.48806(10) 0.38344(14) 0.73959(8) 0.0183(3) Uani 1 1 d . . . . .
H2A H 0.451050 0.436821 0.750237 0.022 Uiso 1 1 calc R . . . .
H2B H 0.460150 0.361220 0.691668 0.022 Uiso 1 1 calc R . . . .
C3 C 0.57714(10) 0.43192(13) 0.75536(8) 0.0165(3) Uani 1 1 d . . . . .
H3A H 0.595884 0.418805 0.717921 0.020 Uiso 1 1 calc R . . . .
H3B H 0.578657 0.512286 0.764609 0.020 Uiso 1 1 calc R . . . .
C4 C 0.44300(9) 0.21337(13) 0.78837(8) 0.0132(3) Uani 1 1 d . . . . .
C5 C 0.42271(10) 0.11884(13) 0.74764(8) 0.0166(3) Uani 1 1 d . . . . .
C6 C 0.36185(11) 0.04645(14) 0.75316(9) 0.0201(3) Uani 1 1 d . . . . .
H6 H 0.347120 -0.018678 0.726384 0.024 Uiso 1 1 calc R . . . .
C7 C 0.32268(11) 0.06889(15) 0.79749(9) 0.0207(3) Uani 1 1 d . . . . .
H7 H 0.281892 0.018540 0.801142 0.025 Uiso 1 1 calc R . . . .
C8 C 0.34256(10) 0.16389(14) 0.83633(9) 0.0193(3) Uani 1 1 d . . . . .
H8 H 0.314575 0.178645 0.865875 0.023 Uiso 1 1 calc R . . . .
C9 C 0.40334(10) 0.23858(13) 0.83269(8) 0.0155(3) Uani 1 1 d . . . . .
C10 C 0.46758(12) 0.09217(15) 0.70101(9) 0.0227(3) Uani 1 1 d . . . . .
H10 H 0.497493 0.160779 0.696177 0.027 Uiso 1 1 calc R . . . .
C11 C 0.53541(13) 0.0028(2) 0.73208(11) 0.0343(5) Uani 1 1 d . . . . .
H11A H 0.576117 0.027763 0.776220 0.051 Uiso 1 1 calc GR . . . .
H11B H 0.565610 -0.010945 0.702365 0.051 Uiso 1 1 calc GR . . . .
H11C H 0.507919 -0.065620 0.737537 0.051 Uiso 1 1 calc GR . . . .
C12 C 0.40509(14) 0.05849(17) 0.63054(9) 0.0300(4) Uani 1 1 d . . . . .
H12A H 0.377483 -0.011400 0.633305 0.045 Uiso 1 1 calc GR . . . .
H12B H 0.436059 0.049125 0.600983 0.045 Uiso 1 1 calc GR . . . .
H12C H 0.361683 0.116161 0.612199 0.045 Uiso 1 1 calc GR . . . .
C13 C 0.42405(11) 0.34213(14) 0.87609(8) 0.0181(3) Uani 1 1 d . . . . .
H13 H 0.469517 0.383541 0.867367 0.022 Uiso 1 1 calc R . . . .
C14 C 0.45870(13) 0.31299(16) 0.95112(9) 0.0256(4) Uani 1 1 d . . . . .
H14A H 0.414332 0.275157 0.961380 0.038 Uiso 1 1 calc GR . . . .
H14B H 0.475676 0.380879 0.977947 0.038 Uiso 1 1 calc GR . . . .
H14C H 0.508290 0.264258 0.962111 0.038 Uiso 1 1 calc GR . . . .
C15 C 0.34596(12) 0.41747(16) 0.85689(11) 0.0277(4) Uani 1 1 d . . . . .
H15A H 0.325535 0.435993 0.808860 0.042 Uiso 1 1 calc GR . . . .
H15B H 0.361573 0.485484 0.883706 0.042 Uiso 1 1 calc GR . . . .
H15C H 0.300740 0.379190 0.865791 0.042 Uiso 1 1 calc GR . . . .
C16 C 0.72028(10) 0.38529(13) 0.85075(8) 0.0141(3) Uani 1 1 d . . . . .
C17 C 0.77573(10) 0.32422(14) 0.83028(8) 0.0168(3) Uani 1 1 d . . . . .
C18 C 0.86339(11) 0.33818(16) 0.86686(9) 0.0216(3) Uani 1 1 d . . . . .
H18 H 0.902697 0.296879 0.854763 0.026 Uiso 1 1 calc R . . . .
C19 C 0.89347(11) 0.41123(17) 0.92031(9) 0.0245(4) Uani 1 1 d . . . . .
H19 H 0.953182 0.419174 0.944802 0.029 Uiso 1 1 calc R . . . .
C20 C 0.83730(11) 0.47317(16) 0.93861(9) 0.0232(3) Uani 1 1 d . . . . .
H20 H 0.858986 0.524117 0.974953 0.028 Uiso 1 1 calc R . . . .
C21 C 0.74952(10) 0.46140(14) 0.90426(8) 0.0172(3) Uani 1 1 d . . . . .
C22 C 0.74424(11) 0.24565(15) 0.77055(9) 0.0213(3) Uani 1 1 d . . . . .
H22 H 0.680546 0.249655 0.749961 0.026 Uiso 1 1 calc R . . . .
C23 C 0.76943(14) 0.12626(17) 0.79231(12) 0.0333(4) Uani 1 1 d . . . . .
H23A H 0.831732 0.120413 0.813229 0.050 Uiso 1 1 calc GR . . . .
H23B H 0.747441 0.077716 0.752789 0.050 Uiso 1 1 calc GR . . . .
H23C H 0.745309 0.104001 0.824895 0.050 Uiso 1 1 calc GR . . . .
C24 C 0.77741(13) 0.28042(19) 0.71666(10) 0.0312(4) Uani 1 1 d . . . . .
H24A H 0.761328 0.357410 0.703568 0.047 Uiso 1 1 calc GR . . . .
H24B H 0.752404 0.232498 0.677071 0.047 Uiso 1 1 calc GR . . . .
H24C H 0.839673 0.273519 0.734964 0.047 Uiso 1 1 calc GR . . . .
C25 C 0.68677(12) 0.52508(15) 0.92519(9) 0.0216(3) Uani 1 1 d . . . . .
H25 H 0.632859 0.534573 0.884284 0.026 Uiso 1 1 calc R . . . .
C26 C 0.66552(13) 0.45915(17) 0.97716(10) 0.0270(4) Uani 1 1 d . . . . .
H26A H 0.644995 0.385459 0.959130 0.040 Uiso 1 1 calc GR . . . .
H26B H 0.621139 0.497824 0.986971 0.040 Uiso 1 1 calc GR . . . .
H26C H 0.716824 0.451908 1.018702 0.040 Uiso 1 1 calc GR . . . .
C27 C 0.71849(16) 0.64005(17) 0.95343(11) 0.0344(5) Uani 1 1 d . . . . .
H27A H 0.766848 0.632791 0.996924 0.052 Uiso 1 1 calc GR . . . .
H27B H 0.672355 0.680743 0.959653 0.052 Uiso 1 1 calc GR . . . .
H27C H 0.736599 0.680317 0.921837 0.052 Uiso 1 1 calc GR . . . .
C28 C 0.53818(14) -0.0150(2) 0.92740(12) 0.0397(5) Uani 1 1 d . . . . .
H28A H 0.535111 -0.013250 0.881045 0.060 Uiso 1 1 calc GR . . . .
H28B H 0.512368 0.052436 0.936321 0.060 Uiso 1 1 calc GR . . . .
H28C H 0.507256 -0.079766 0.933348 0.060 Uiso 1 1 calc GR . . . .
C29 C 0.62931(13) -0.02156(17) 0.97541(11) 0.0310(4) Uani 1 1 d . . . . .
H29A H 0.632418 -0.027221 1.022142 0.037 Uiso 1 1 calc R . . . .
H29B H 0.655905 -0.088628 0.965729 0.037 Uiso 1 1 calc R . . . .
C30 C 0.76425(11) 0.07356(16) 1.01515(9) 0.0252(4) Uani 1 1 d . . . . .
H30A H 0.793275 0.009656 1.004649 0.030 Uiso 1 1 calc R . . . .
H30B H 0.768510 0.065413 1.062078 0.030 Uiso 1 1 calc R . . . .
C31 C 0.80662(13) 0.17878(18) 1.00844(11) 0.0342(5) Uani 1 1 d . . . . .
H31A H 0.804752 0.184710 0.962533 0.051 Uiso 1 1 calc GR . . . .
H31B H 0.866130 0.178598 1.040766 0.051 Uiso 1 1 calc GR . . . .
H31C H 0.776711 0.241906 1.017642 0.051 Uiso 1 1 calc GR . . . .
Cl1 Cl 0.45146(4) 0.76707(5) 0.41159(3) 0.03862(12) Uani 1 1 d . . . . .
Cl2 Cl 0.39458(4) 0.54407(5) 0.42292(3) 0.04281(13) Uani 1 1 d . . . . .
C32 C 0.4376(2) 0.6666(2) 0.46447(12) 0.0585(9) Uani 1 1 d . . . . .
H32A H 0.493431 0.650624 0.501185 0.070 Uiso 1 1 calc R . . . .
H32B H 0.399467 0.696394 0.485296 0.070 Uiso 1 1 calc R . . . .
Cl3 Cl 0.47359(4) 0.67736(6) 0.86283(3) 0.04849(15) Uani 1 1 d . . . . .
Cl4 Cl 0.32910(5) 0.76597(7) 0.88625(4) 0.05582(17) Uani 1 1 d . . . . .
C33 C 0.36939(16) 0.7296(2) 0.82537(11) 0.0403(5) Uani 1 1 d . . . . .
H33A H 0.331893 0.673110 0.794769 0.048 Uiso 1 1 calc R . . . .
H33B H 0.369180 0.795577 0.798067 0.048 Uiso 1 1 calc R . . . .


_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
Sb F1 1.8760(11) . ?
Sb F2 1.8762(10) . ?
Sb F3 1.8799(10) . ?
Sb F4 1.8763(11) . ?
Sb F5 1.8742(11) . ?
Sb F6 1.8754(10) . ?
Cu O 1.8946(12) . ?
Cu C1 1.8750(15) . ?
O C29 1.444(2) . ?
O C30 1.451(2) . ?
N1 C1 1.3325(19) . ?
N1 C2 1.476(2) . ?
N1 C4 1.4352(19) . ?
N2 C1 1.3346(19) . ?
N2 C3 1.4795(19) . ?
N2 C16 1.4357(19) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C2 C3 1.536(2) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C4 C5 1.399(2) . ?
C4 C9 1.403(2) . ?
C5 C6 1.397(2) . ?
C5 C10 1.517(2) . ?
C6 H6 0.9500 . ?
C6 C7 1.390(2) . ?
C7 H7 0.9500 . ?
C7 C8 1.383(2) . ?
C8 H8 0.9500 . ?
C8 C9 1.399(2) . ?
C9 C13 1.519(2) . ?
C10 H10 1.0000 . ?
C10 C11 1.531(3) . ?
C10 C12 1.530(3) . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 H13 1.0000 . ?
C13 C14 1.530(2) . ?
C13 C15 1.530(2) . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 C17 1.400(2) . ?
C16 C21 1.405(2) . ?
C17 C18 1.400(2) . ?
C17 C22 1.518(2) . ?
C18 H18 0.9500 . ?
C18 C19 1.381(3) . ?
C19 H19 0.9500 . ?
C19 C20 1.389(3) . ?
C20 H20 0.9500 . ?
C20 C21 1.392(2) . ?
C21 C25 1.522(2) . ?
C22 H22 1.0000 . ?
C22 C23 1.526(3) . ?
C22 C24 1.536(3) . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 H25 1.0000 . ?
C25 C26 1.529(3) . ?
C25 C27 1.529(3) . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C28 C29 1.493(3) . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?
C30 C31 1.497(3) . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
Cl1 C32 1.744(2) . ?
Cl2 C32 1.738(3) . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
Cl3 C33 1.755(3) . ?
Cl4 C33 1.758(2) . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?

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 Sb F3 89.62(5) . . ?
F1 Sb F4 90.60(5) . . ?
F2 Sb F1 90.45(5) . . ?
F2 Sb F3 89.77(5) . . ?
F2 Sb F4 178.93(5) . . ?
F4 Sb F3 90.02(5) . . ?
F5 Sb F1 90.01(5) . . ?
F5 Sb F2 90.57(5) . . ?
F5 Sb F3 179.50(5) . . ?
F5 Sb F4 89.65(6) . . ?
F5 Sb F6 91.02(5) . . ?
F6 Sb F1 178.91(5) . . ?
F6 Sb F2 89.16(5) . . ?
F6 Sb F3 89.36(5) . . ?
F6 Sb F4 89.79(5) . . ?
C1 Cu O 178.37(6) . . ?
C29 O Cu 124.30(11) . . ?
C29 O C30 112.59(13) . . ?
C30 O Cu 122.02(10) . . ?
C1 N1 C2 112.83(13) . . ?
C1 N1 C4 123.22(13) . . ?
C4 N1 C2 123.08(12) . . ?
C1 N2 C3 112.74(12) . . ?
C1 N2 C16 123.26(13) . . ?
C16 N2 C3 123.04(12) . . ?
N1 C1 Cu 124.23(11) . . ?
N1 C1 N2 108.93(13) . . ?
N2 C1 Cu 126.83(11) . . ?
N1 C2 H2A 111.3 . . ?
N1 C2 H2B 111.3 . . ?
N1 C2 C3 102.13(12) . . ?
H2A C2 H2B 109.2 . . ?
C3 C2 H2A 111.3 . . ?
C3 C2 H2B 111.3 . . ?
N2 C3 C2 101.89(12) . . ?
N2 C3 H3A 111.4 . . ?
N2 C3 H3B 111.4 . . ?
C2 C3 H3A 111.4 . . ?
C2 C3 H3B 111.4 . . ?
H3A C3 H3B 109.3 . . ?
C5 C4 N1 118.31(13) . . ?
C5 C4 C9 122.55(14) . . ?
C9 C4 N1 119.14(14) . . ?
C4 C5 C10 121.63(14) . . ?
C6 C5 C4 117.86(15) . . ?
C6 C5 C10 120.46(15) . . ?
C5 C6 H6 119.7 . . ?
C7 C6 C5 120.58(16) . . ?
C7 C6 H6 119.7 . . ?
C6 C7 H7 119.7 . . ?
C8 C7 C6 120.56(15) . . ?
C8 C7 H7 119.7 . . ?
C7 C8 H8 119.6 . . ?
C7 C8 C9 120.89(15) . . ?
C9 C8 H8 119.6 . . ?
C4 C9 C13 122.72(14) . . ?
C8 C9 C4 117.55(15) . . ?
C8 C9 C13 119.73(14) . . ?
C5 C10 H10 107.6 . . ?
C5 C10 C11 110.50(15) . . ?
C5 C10 C12 112.26(15) . . ?
C11 C10 H10 107.6 . . ?
C12 C10 H10 107.6 . . ?
C12 C10 C11 111.05(16) . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C10 C12 H12A 109.5 . . ?
C10 C12 H12B 109.5 . . ?
C10 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C9 C13 H13 107.9 . . ?
C9 C13 C14 111.19(14) . . ?
C9 C13 C15 110.87(14) . . ?
C14 C13 H13 107.9 . . ?
C14 C13 C15 110.97(15) . . ?
C15 C13 H13 107.9 . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C13 C15 H15A 109.5 . . ?
C13 C15 H15B 109.5 . . ?
C13 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C17 C16 N2 119.07(14) . . ?
C17 C16 C21 122.53(14) . . ?
C21 C16 N2 118.40(14) . . ?
C16 C17 C18 117.53(15) . . ?
C16 C17 C22 122.61(14) . . ?
C18 C17 C22 119.86(15) . . ?
C17 C18 H18 119.6 . . ?
C19 C18 C17 120.84(16) . . ?
C19 C18 H18 119.6 . . ?
C18 C19 H19 119.7 . . ?
C18 C19 C20 120.65(16) . . ?
C20 C19 H19 119.7 . . ?
C19 C20 H20 119.7 . . ?
C19 C20 C21 120.69(16) . . ?
C21 C20 H20 119.7 . . ?
C16 C21 C25 120.64(15) . . ?
C20 C21 C16 117.73(15) . . ?
C20 C21 C25 121.59(15) . . ?
C17 C22 H22 107.9 . . ?
C17 C22 C23 111.56(15) . . ?
C17 C22 C24 110.93(16) . . ?
C23 C22 H22 107.9 . . ?
C23 C22 C24 110.39(16) . . ?
C24 C22 H22 107.9 . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C22 C24 H24A 109.5 . . ?
C22 C24 H24B 109.5 . . ?
C22 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C21 C25 H25 107.8 . . ?
C21 C25 C26 110.40(15) . . ?
C21 C25 C27 113.45(16) . . ?
C26 C25 H25 107.8 . . ?
C27 C25 H25 107.8 . . ?
C27 C25 C26 109.29(15) . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C25 C27 H27A 109.5 . . ?
C25 C27 H27B 109.5 . . ?
C25 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C29 C28 H28A 109.5 . . ?
C29 C28 H28B 109.5 . . ?
C29 C28 H28C 109.5 . . ?
O C29 C28 110.30(15) . . ?
O C29 H29A 109.6 . . ?
O C29 H29B 109.6 . . ?
C28 C29 H29A 109.6 . . ?
C28 C29 H29B 109.6 . . ?
H29A C29 H29B 108.1 . . ?
O C30 H30A 109.7 . . ?
O C30 H30B 109.7 . . ?
O C30 C31 109.62(14) . . ?
H30A C30 H30B 108.2 . . ?
C31 C30 H30A 109.7 . . ?
C31 C30 H30B 109.7 . . ?
C30 C31 H31A 109.5 . . ?
C30 C31 H31B 109.5 . . ?
C30 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
Cl1 C32 H32A 108.9 . . ?
Cl1 C32 H32B 108.9 . . ?
Cl2 C32 Cl1 113.24(14) . . ?
Cl2 C32 H32A 108.9 . . ?
Cl2 C32 H32B 108.9 . . ?
H32A C32 H32B 107.7 . . ?
Cl3 C33 Cl4 111.53(12) . . ?
Cl3 C33 H33A 109.3 . . ?
Cl3 C33 H33B 109.3 . . ?
Cl4 C33 H33A 109.3 . . ?
Cl4 C33 H33B 109.3 . . ?
H33A C33 H33B 108.0 . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_rad740_0m_a
_database_code_depnum_ccdc_archive 'CCDC 2016686'
loop_
_audit_author_name
_audit_author_address
'Rasika Dias'
;The University of Texas at Arlington
United States of America
;
_audit_update_record             
;
2020-07-15 deposited with the CCDC.	2021-01-05 downloaded from the CCDC.
;
_audit_creation_date             2019-12-12
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'F6 Sb, C22 H37 Cu N O'
_chemical_formula_sum            'C22 H37 Cu F6 N O Sb'
_chemical_formula_weight         630.81
_chemical_melting_point          ?
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'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.5866 1.5461 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
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                   8.4439(3)
_cell_length_b                   11.1960(4)
_cell_length_c                   27.3426(10)
_cell_angle_alpha                90
_cell_angle_beta                 97.2270(10)
_cell_angle_gamma                90
_cell_volume                     2564.38(16)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9815
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      33.07
_cell_measurement_theta_min      2.90
_shelx_estimated_absorpt_T_max   0.815
_shelx_estimated_absorpt_T_min   0.576
_exptl_absorpt_coefficient_mu    1.940
_exptl_absorpt_correction_T_max  0.3399
_exptl_absorpt_correction_T_min  0.2767
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.0649 before and 0.0476 after correction. The Ratio of minimum to maximum transmission is 0.8141. The λ/2 correction factor is Not present.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.634
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       rods
_exptl_crystal_F_000             1272
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.11
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0219
_diffrn_reflns_av_unetI/netI     0.0185
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       39
_diffrn_reflns_limit_l_min       -39
_diffrn_reflns_number            34846
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.508
_diffrn_reflns_theta_min         2.896
_diffrn_ambient_temperature      99.99
_diffrn_detector_area_resol_mean 8
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  
'Bruker D8 Quest with a Photon 100 CMOS detector'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'sealed tube'
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                7314
_reflns_number_total             7793
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.38A (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (?, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.489
_refine_diff_density_min         -0.409
_refine_diff_density_rms         0.076
_refine_ls_extinction_coef       0.00292(14)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     306
_refine_ls_number_reflns         7793
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0216
_refine_ls_R_factor_gt           0.0194
_refine_ls_restrained_S_all      1.044
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0167P)²+1.8825P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0449
_refine_ls_wR_factor_ref         0.0457
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C11(H11), C14(H14)
2.b Secondary CH2 refined with riding coordinates:
 C3(H3A,H3B), C19(H19A,H19B), C21(H21A,H21B)
2.c Aromatic/amide H refined with riding coordinates:
 C7(H7), C8(H8), C9(H9)
2.d Idealised Me refined as rotating group:
 C12(H12A,H12B,H12C), C13(H13A,H13B,H13C), C15(H15A,H15B,H15C), C16(H16A,H16B,
 H16C), C17(H17A,H17B,H17C), C18(H18A,H18B,H18C), C20(H20A,H20B,H20C), C22(H22A,
 H22B,H22C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Sb Sb 0.06654(2) 0.72073(2) 0.84914(2) 0.01376(3) Uani 1 1 d . . . . .
F1 F 0.24162(12) 0.64833(9) 0.82626(4) 0.0298(2) Uani 1 1 d . . . . .
F2 F 0.10306(11) 0.85799(7) 0.81186(3) 0.02285(17) Uani 1 1 d . . . . .
F3 F 0.19523(12) 0.77873(8) 0.90424(3) 0.02695(19) Uani 1 1 d . . . . .
F4 F 0.02492(12) 0.57909(8) 0.88183(4) 0.0281(2) Uani 1 1 d . . . . .
F5 F -0.06299(13) 0.66160(8) 0.79257(4) 0.0327(2) Uani 1 1 d . . . . .
F6 F -0.11073(11) 0.79570(9) 0.86979(4) 0.0297(2) Uani 1 1 d . . . . .
Cu Cu 0.09910(2) 0.83728(2) 0.65948(2) 0.01308(4) Uani 1 1 d . . . . .
O O 0.06316(15) 0.92161(10) 0.71676(4) 0.0229(2) Uani 1 1 d . . . . .
HA H 0.092(3) 0.896(2) 0.7445(9) 0.045(7) Uiso 1 1 d . . . . .
HB H 0.068(3) 0.989(2) 0.7155(9) 0.037(6) Uiso 1 1 d . . . . .
N N 0.27780(12) 0.70826(9) 0.59747(4) 0.01092(18) Uani 1 1 d . . . . .
C1 C 0.13811(14) 0.75116(11) 0.60340(4) 0.0112(2) Uani 1 1 d . . . . .
C2 C 0.28889(14) 0.64608(11) 0.54838(4) 0.0128(2) Uani 1 1 d . . . . .
C3 C 0.11106(15) 0.63635(12) 0.52834(5) 0.0143(2) Uani 1 1 d . . . . .
H3A H 0.072771 0.553689 0.532109 0.017 Uiso 1 1 calc R . . . .
H3B H 0.094099 0.657632 0.492922 0.017 Uiso 1 1 calc R . . . .
C4 C 0.02010(14) 0.72364(11) 0.55827(4) 0.0122(2) Uani 1 1 d . . . . .
C5 C 0.41848(14) 0.72802(11) 0.63312(4) 0.0115(2) Uani 1 1 d . . . . .
C6 C 0.49993(14) 0.83756(11) 0.63260(4) 0.0124(2) Uani 1 1 d . . . . .
C7 C 0.63851(15) 0.85101(12) 0.66580(5) 0.0158(2) Uani 1 1 d . . . . .
H7 H 0.697576 0.923246 0.665872 0.019 Uiso 1 1 calc R . . . .
C8 C 0.69168(16) 0.76099(12) 0.69867(5) 0.0178(2) Uani 1 1 d . . . . .
H8 H 0.788366 0.770748 0.720140 0.021 Uiso 1 1 calc R . . . .
C9 C 0.60390(16) 0.65690(12) 0.70021(5) 0.0171(2) Uani 1 1 d . . . . .
H9 H 0.638876 0.597323 0.723864 0.021 Uiso 1 1 calc R . . . .
C10 C 0.46501(15) 0.63771(11) 0.66769(5) 0.0132(2) Uani 1 1 d . . . . .
C11 C 0.43897(15) 0.94501(11) 0.60172(5) 0.0141(2) Uani 1 1 d . . . . .
H11 H 0.342981 0.919509 0.578919 0.017 Uiso 1 1 calc R . . . .
C12 C 0.38749(16) 1.04380(12) 0.63546(5) 0.0191(2) Uani 1 1 d . . . . .
H12A H 0.480801 1.072311 0.657284 0.029 Uiso 1 1 calc GR . . . .
H12B H 0.308412 1.011802 0.655325 0.029 Uiso 1 1 calc GR . . . .
H12C H 0.340458 1.110238 0.615283 0.029 Uiso 1 1 calc GR . . . .
C13 C 0.56272(17) 0.99417(13) 0.57051(5) 0.0198(3) Uani 1 1 d . . . . .
H13A H 0.657863 1.019951 0.592193 0.030 Uiso 1 1 calc GR . . . .
H13B H 0.517282 1.062378 0.551110 0.030 Uiso 1 1 calc GR . . . .
H13C H 0.592180 0.931640 0.548252 0.030 Uiso 1 1 calc GR . . . .
C14 C 0.36352(15) 0.52826(12) 0.67454(5) 0.0158(2) Uani 1 1 d . . . . .
H14 H 0.281768 0.520902 0.644885 0.019 Uiso 1 1 calc R . . . .
C15 C 0.27554(19) 0.54700(15) 0.71963(5) 0.0242(3) Uani 1 1 d . . . . .
H15A H 0.353439 0.555239 0.749182 0.036 Uiso 1 1 calc GR . . . .
H15B H 0.206426 0.478179 0.723436 0.036 Uiso 1 1 calc GR . . . .
H15C H 0.210461 0.619578 0.715118 0.036 Uiso 1 1 calc GR . . . .
C16 C 0.46047(18) 0.41222(13) 0.67952(6) 0.0251(3) Uani 1 1 d . . . . .
H16A H 0.521659 0.404539 0.651508 0.038 Uiso 1 1 calc GR . . . .
H16B H 0.387863 0.344049 0.679954 0.038 Uiso 1 1 calc GR . . . .
H16C H 0.533876 0.413872 0.710267 0.038 Uiso 1 1 calc GR . . . .
C17 C 0.38413(16) 0.72462(13) 0.51688(5) 0.0181(2) Uani 1 1 d . . . . .
H17A H 0.332037 0.802649 0.511846 0.027 Uiso 1 1 calc GR . . . .
H17B H 0.388739 0.686205 0.484887 0.027 Uiso 1 1 calc GR . . . .
H17C H 0.492687 0.735367 0.533716 0.027 Uiso 1 1 calc GR . . . .
C18 C 0.36943(17) 0.52417(12) 0.55506(5) 0.0192(3) Uani 1 1 d . . . . .
H18A H 0.477654 0.533840 0.572284 0.029 Uiso 1 1 calc GR . . . .
H18B H 0.374835 0.487905 0.522687 0.029 Uiso 1 1 calc GR . . . .
H18C H 0.307537 0.472455 0.574484 0.029 Uiso 1 1 calc GR . . . .
C19 C -0.01856(16) 0.84342(12) 0.53086(5) 0.0162(2) Uani 1 1 d . . . . .
H19A H -0.056346 0.901469 0.554132 0.019 Uiso 1 1 calc R . . . .
H19B H 0.080803 0.875615 0.520210 0.019 Uiso 1 1 calc R . . . .
C20 C -0.14473(17) 0.83247(13) 0.48579(5) 0.0206(3) Uani 1 1 d . . . . .
H20A H -0.112806 0.770164 0.463833 0.031 Uiso 1 1 calc GR . . . .
H20B H -0.154582 0.908877 0.468185 0.031 Uiso 1 1 calc GR . . . .
H20C H -0.247660 0.811345 0.496467 0.031 Uiso 1 1 calc GR . . . .
C21 C -0.13388(15) 0.67007(12) 0.57407(5) 0.0154(2) Uani 1 1 d . . . . .
H21A H -0.192276 0.733998 0.589290 0.018 Uiso 1 1 calc R . . . .
H21B H -0.202633 0.642339 0.544232 0.018 Uiso 1 1 calc R . . . .
C22 C -0.10744(17) 0.56644(13) 0.61019(6) 0.0221(3) Uani 1 1 d . . . . .
H22A H -0.047913 0.503019 0.595841 0.033 Uiso 1 1 calc GR . . . .
H22B H -0.210887 0.535331 0.617034 0.033 Uiso 1 1 calc GR . . . .
H22C H -0.046496 0.594225 0.640959 0.033 Uiso 1 1 calc GR . . . .


_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
Sb F1 1.8619(9) . ?
Sb F2 1.8907(8) . ?
Sb F3 1.8601(9) . ?
Sb F4 1.8752(9) . ?
Sb F5 1.8977(9) . ?
Sb F6 1.8646(9) . ?
Cu O 1.8856(10) . ?
Cu C1 1.8753(12) . ?
O HA 0.82(3) . ?
O HB 0.76(3) . ?
N C1 1.3024(15) . ?
N C2 1.5253(15) . ?
N C5 1.4557(15) . ?
C1 C4 1.5170(16) . ?
C2 C3 1.5362(17) . ?
C2 C17 1.5284(18) . ?
C2 C18 1.5257(18) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C3 C4 1.5404(17) . ?
C4 C19 1.5508(18) . ?
C4 C21 1.5421(17) . ?
C5 C6 1.4070(17) . ?
C5 C10 1.4059(17) . ?
C6 C7 1.3960(17) . ?
C6 C11 1.5217(17) . ?
C7 H7 0.9500 . ?
C7 C8 1.3870(18) . ?
C8 H8 0.9500 . ?
C8 C9 1.3846(19) . ?
C9 H9 0.9500 . ?
C9 C10 1.3963(17) . ?
C10 C14 1.5204(18) . ?
C11 H11 1.0000 . ?
C11 C12 1.5376(19) . ?
C11 C13 1.5323(18) . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14 1.0000 . ?
C14 C15 1.5317(19) . ?
C14 C16 1.5324(19) . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C19 C20 1.5292(18) . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C21 C22 1.5218(19) . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?

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 Sb F2 89.00(4) . . ?
F1 Sb F4 89.79(4) . . ?
F1 Sb F5 88.56(5) . . ?
F1 Sb F6 177.92(4) . . ?
F2 Sb F5 87.73(4) . . ?
F3 Sb F1 90.94(5) . . ?
F3 Sb F2 91.98(4) . . ?
F3 Sb F4 91.99(4) . . ?
F3 Sb F5 179.43(5) . . ?
F3 Sb F6 90.40(5) . . ?
F4 Sb F2 175.87(4) . . ?
F4 Sb F5 88.29(4) . . ?
F6 Sb F2 89.37(4) . . ?
F6 Sb F4 91.75(4) . . ?
F6 Sb F5 90.09(5) . . ?
C1 Cu O 178.70(5) . . ?
Cu O HA 122.2(17) . . ?
Cu O HB 116.6(18) . . ?
HA O HB 112(2) . . ?
C1 N C2 115.76(10) . . ?
C1 N C5 122.42(10) . . ?
C5 N C2 121.56(10) . . ?
N C1 Cu 123.12(9) . . ?
N C1 C4 109.66(10) . . ?
C4 C1 Cu 127.20(9) . . ?
N C2 C3 100.42(9) . . ?
N C2 C17 109.16(10) . . ?
N C2 C18 112.26(10) . . ?
C17 C2 C3 113.56(11) . . ?
C18 C2 C3 112.35(11) . . ?
C18 C2 C17 108.90(11) . . ?
C2 C3 H3A 110.3 . . ?
C2 C3 H3B 110.3 . . ?
C2 C3 C4 107.21(10) . . ?
H3A C3 H3B 108.5 . . ?
C4 C3 H3A 110.3 . . ?
C4 C3 H3B 110.3 . . ?
C1 C4 C3 103.92(10) . . ?
C1 C4 C19 107.11(10) . . ?
C1 C4 C21 109.98(10) . . ?
C3 C4 C19 112.37(10) . . ?
C3 C4 C21 113.36(10) . . ?
C21 C4 C19 109.76(10) . . ?
C6 C5 N 118.97(11) . . ?
C10 C5 N 118.45(11) . . ?
C10 C5 C6 122.55(11) . . ?
C5 C6 C11 124.27(11) . . ?
C7 C6 C5 117.27(11) . . ?
C7 C6 C11 118.22(11) . . ?
C6 C7 H7 119.4 . . ?
C8 C7 C6 121.30(12) . . ?
C8 C7 H7 119.4 . . ?
C7 C8 H8 120.0 . . ?
C9 C8 C7 120.03(12) . . ?
C9 C8 H8 120.0 . . ?
C8 C9 H9 119.3 . . ?
C8 C9 C10 121.34(12) . . ?
C10 C9 H9 119.3 . . ?
C5 C10 C14 123.25(11) . . ?
C9 C10 C5 117.30(11) . . ?
C9 C10 C14 119.13(11) . . ?
C6 C11 H11 108.1 . . ?
C6 C11 C12 109.71(10) . . ?
C6 C11 C13 112.72(11) . . ?
C12 C11 H11 108.1 . . ?
C13 C11 H11 108.1 . . ?
C13 C11 C12 109.87(11) . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C11 C13 H13A 109.5 . . ?
C11 C13 H13B 109.5 . . ?
C11 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C10 C14 H14 108.0 . . ?
C10 C14 C15 109.07(11) . . ?
C10 C14 C16 113.03(11) . . ?
C15 C14 H14 108.0 . . ?
C15 C14 C16 110.64(12) . . ?
C16 C14 H14 108.0 . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C14 C16 H16A 109.5 . . ?
C14 C16 H16B 109.5 . . ?
C14 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C2 C17 H17A 109.5 . . ?
C2 C17 H17B 109.5 . . ?
C2 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C2 C18 H18A 109.5 . . ?
C2 C18 H18B 109.5 . . ?
C2 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C4 C19 H19A 108.8 . . ?
C4 C19 H19B 108.8 . . ?
H19A C19 H19B 107.7 . . ?
C20 C19 C4 113.77(11) . . ?
C20 C19 H19A 108.8 . . ?
C20 C19 H19B 108.8 . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C4 C21 H21A 108.6 . . ?
C4 C21 H21B 108.6 . . ?
H21A C21 H21B 107.6 . . ?
C22 C21 C4 114.73(11) . . ?
C22 C21 H21A 108.6 . . ?
C22 C21 H21B 108.6 . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
C21 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_rad744_0m_a
_database_code_depnum_ccdc_archive 'CCDC 2016685'
loop_
_audit_author_name
_audit_author_address
'Rasika Dias'
;The University of Texas at Arlington
United States of America
;
_audit_update_record             
;
2020-07-15 deposited with the CCDC.	2021-01-05 downloaded from the CCDC.
;
_audit_creation_date             2020-07-15
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_vrf_PLAT420_rad744_0m_a         
;
PROBLEM: D-H Without Acceptor       O2       --H2C      .     Please Check 
RESPONSE: This is a partially occupied molecule of water in an open
channel with disordered H-atom positions. 
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'F6 Sb, C27 H40 Cu N2 O, 0.5(H2 O)'
_chemical_formula_sum            'C27 H41 Cu F6 N2 O1.50 Sb'
_chemical_formula_weight         716.91
_chemical_absolute_configuration ?
_chemical_melting_point          ?
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'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.5866 1.5461 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      trigonal
_space_group_IT_number           161
_space_group_name_H-M_alt        'R 3 c'
_space_group_name_Hall           'R 3 -2"c'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'-y, -x, z+1/2'
'-x+y, y, z+1/2'
'x, x-y, z+1/2'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'-y+2/3, -x+1/3, z+5/6'
'-x+y+2/3, y+1/3, z+5/6'
'x+2/3, x-y+1/3, z+5/6'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'-y+1/3, -x+2/3, z+7/6'
'-x+y+1/3, y+2/3, z+7/6'
'x+1/3, x-y+2/3, z+7/6'

_cell_length_a                   27.8000(10)
_cell_length_b                   27.8000(10)
_cell_length_c                   21.5997(8)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     14456.7(12)
_cell_formula_units_Z            18
_cell_measurement_reflns_used    9635
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      30.41
_cell_measurement_theta_min      2.93
_shelx_estimated_absorpt_T_max   0.872
_shelx_estimated_absorpt_T_min   0.567
_exptl_absorpt_coefficient_mu    1.560
_exptl_absorpt_correction_T_max  0.3368
_exptl_absorpt_correction_T_min  0.2654
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.0831 before and 0.0639 after correction. The Ratio of minimum to maximum transmission is 0.7880. The λ/2 correction factor is Not present.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.482
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       rods
_exptl_crystal_F_000             6534
_exptl_crystal_size_max          0.41
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.09
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0424
_diffrn_reflns_av_unetI/netI     0.0280
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       37
_diffrn_reflns_limit_h_min       -37
_diffrn_reflns_limit_k_max       37
_diffrn_reflns_limit_k_min       -37
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            56564
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.279
_diffrn_reflns_theta_min         2.927
_diffrn_ambient_temperature      100.0
_diffrn_detector_area_resol_mean 8
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  
'Bruker D8 Quest with a Photon 100 CMOS detector'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'sealed tube'
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.995
_reflns_Friedel_fraction_full    0.997
_reflns_Friedel_fraction_max     0.998
_reflns_number_gt                7533
_reflns_number_total             7972
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.38A (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (?, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         1.847
_refine_diff_density_min         -0.787
_refine_diff_density_rms         0.107
_refine_ls_abs_structure_details 
;
 Flack x determined using 3524 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.010(5)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.040
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     360
_refine_ls_number_reflns         7972
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0412
_refine_ls_R_factor_gt           0.0377
_refine_ls_restrained_S_all      1.040
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0567P)²+67.0215P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0960
_refine_ls_wR_factor_ref         0.0982
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H,H) groups
2. Others
 Fixed Sof: O2(0.5) H2C(0.5) H2D(0.5)
 Fixed X: O2(0.29315) H2C(0.267449) H2D(0.3244)
 Fixed Y: O2(0.60807) H2C(0.614321) H2D(0.629741)
 Fixed Z: O2(0.347341) H2C(0.33311) H2D(0.328641)
3.a Rotating group:
 O1(H1A,H1B)
3.b Ternary CH refined with riding coordinates:
 C10(H10), C13(H13), C22(H22), C25(H25)
3.c Secondary CH2 refined with riding coordinates:
 C2(H2A,H2B), C3(H3A,H3B)
3.d Aromatic/amide H refined with riding coordinates:
 C6(H6), C7(H7), C8(H8), C18(H18), C19(H19), C20(H20)
3.e Idealised Me refined as rotating group:
 C11(H11A,H11B,H11C), C12(H12A,H12B,H12C), C14(H14A,H14B,H14C), C15(H15A,H15B,
 H15C), C23(H23A,H23B,H23C), C24(H24A,H24B,H24C), C26(H26A,H26B,H26C), C27(H27A,
 H27B,H27C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Sb Sb 0.35918(2) 0.31013(2) 0.6288(5) 0.02748(11) Uani 1 1 d . . . . .
F1 F 0.2902(2) 0.2568(3) 0.6011(6) 0.086(3) Uani 1 1 d . . . . .
F2 F 0.37966(17) 0.3337(2) 0.5465(6) 0.0362(9) Uani 1 1 d . . . . .
F3 F 0.33196(19) 0.35878(17) 0.6347(6) 0.0378(9) Uani 1 1 d . . . . .
F4 F 0.4288(2) 0.3693(3) 0.6547(6) 0.0653(17) Uani 1 1 d . . . . .
F5 F 0.3397(3) 0.2905(3) 0.7116(6) 0.073(2) Uani 1 1 d . . . . .
F6 F 0.3881(4) 0.2633(3) 0.6214(6) 0.085(2) Uani 1 1 d . . . . .
Cu Cu 0.25555(3) 0.36237(3) 0.5493(5) 0.01969(14) Uani 1 1 d . . . . .
O1 O 0.31024(17) 0.36428(19) 0.4948(6) 0.0259(9) Uani 1 1 d . . . . .
H1A H 0.295213 0.346297 0.458678 0.039 Uiso 1 1 d GR . . . .
H1B H 0.325448 0.344428 0.510027 0.039 Uiso 1 1 d GR . . . .
N1 N 0.14361(18) 0.31657(19) 0.5855(6) 0.0184(8) Uani 1 1 d . . . . .
N2 N 0.19119(18) 0.40331(19) 0.6127(6) 0.0171(8) Uani 1 1 d . . . . .
C1 C 0.1942(2) 0.3612(2) 0.5869(6) 0.0165(9) Uani 1 1 d . . . . .
C2 C 0.1003(2) 0.3265(2) 0.6121(6) 0.0194(10) Uani 1 1 d . . . . .
H2A H 0.082904 0.303023 0.648993 0.023 Uiso 1 1 calc R . . . .
H2B H 0.071152 0.319431 0.581219 0.023 Uiso 1 1 calc R . . . .
C3 C 0.1342(2) 0.3887(2) 0.6294(6) 0.0201(10) Uani 1 1 d . . . . .
H3A H 0.121747 0.410818 0.605395 0.024 Uiso 1 1 calc R . . . .
H3B H 0.131073 0.394326 0.674171 0.024 Uiso 1 1 calc R . . . .
C4 C 0.1346(2) 0.2625(2) 0.5684(6) 0.0181(10) Uani 1 1 d . . . . .
C5 C 0.1228(2) 0.2454(2) 0.5062(6) 0.0215(10) Uani 1 1 d . . . . .
C6 C 0.1212(3) 0.1964(3) 0.4895(6) 0.0289(13) Uani 1 1 d . . . . .
H6 H 0.114555 0.184477 0.447607 0.035 Uiso 1 1 calc R . . . .
C7 C 0.1292(3) 0.1649(3) 0.5329(6) 0.0327(14) Uani 1 1 d . . . . .
H7 H 0.129486 0.132300 0.520481 0.039 Uiso 1 1 calc R . . . .
C8 C 0.1368(3) 0.1804(3) 0.5951(6) 0.0302(13) Uani 1 1 d . . . . .
H8 H 0.140527 0.157282 0.624842 0.036 Uiso 1 1 calc R . . . .
C9 C 0.1391(2) 0.2293(2) 0.6144(6) 0.0233(11) Uani 1 1 d . . . . .
C10 C 0.1113(2) 0.2792(3) 0.4584(6) 0.0252(12) Uani 1 1 d . . . . .
H10 H 0.100964 0.303947 0.481252 0.030 Uiso 1 1 calc R . . . .
C11 C 0.1620(3) 0.3154(4) 0.4195(7) 0.052(2) Uani 1 1 d . . . . .
H11A H 0.192003 0.342037 0.446189 0.077 Uiso 1 1 calc GR . . . .
H11B H 0.152744 0.335554 0.388847 0.077 Uiso 1 1 calc GR . . . .
H11C H 0.174004 0.292117 0.398095 0.077 Uiso 1 1 calc GR . . . .
C12 C 0.0630(3) 0.2418(3) 0.4154(6) 0.0344(14) Uani 1 1 d . . . . .
H12A H 0.074231 0.220981 0.388163 0.052 Uiso 1 1 calc GR . . . .
H12B H 0.052787 0.264720 0.390402 0.052 Uiso 1 1 calc GR . . . .
H12C H 0.030982 0.215715 0.440340 0.052 Uiso 1 1 calc GR . . . .
C13 C 0.1464(3) 0.2451(3) 0.6828(6) 0.0266(12) Uani 1 1 d . . . . .
H13 H 0.141999 0.278474 0.687538 0.032 Uiso 1 1 calc R . . . .
C14 C 0.2034(3) 0.2601(4) 0.7064(6) 0.0457(19) Uani 1 1 d . . . . .
H14A H 0.210581 0.229683 0.697587 0.068 Uiso 1 1 calc GR . . . .
H14B H 0.205080 0.266348 0.751237 0.068 Uiso 1 1 calc GR . . . .
H14C H 0.231505 0.294018 0.685849 0.068 Uiso 1 1 calc GR . . . .
C15 C 0.1018(4) 0.1987(4) 0.7212(6) 0.0476(18) Uani 1 1 d . . . . .
H15A H 0.065175 0.191526 0.707550 0.071 Uiso 1 1 calc GR . . . .
H15B H 0.107102 0.209549 0.764918 0.071 Uiso 1 1 calc GR . . . .
H15C H 0.104261 0.164971 0.715990 0.071 Uiso 1 1 calc GR . . . .
C16 C 0.2365(2) 0.4585(2) 0.6225(6) 0.0188(10) Uani 1 1 d . . . . .
C17 C 0.2529(2) 0.4977(2) 0.5740(6) 0.0219(11) Uani 1 1 d . . . . .
C18 C 0.2939(2) 0.5516(3) 0.5866(6) 0.0291(13) Uani 1 1 d . . . . .
H18 H 0.305076 0.578962 0.555130 0.035 Uiso 1 1 calc R . . . .
C19 C 0.3194(3) 0.5666(3) 0.6443(6) 0.0309(13) Uani 1 1 d . . . . .
H19 H 0.347403 0.603945 0.652023 0.037 Uiso 1 1 calc R . . . .
C20 C 0.3037(3) 0.5272(3) 0.6902(6) 0.0277(12) Uani 1 1 d . . . . .
H20 H 0.321708 0.537490 0.729289 0.033 Uiso 1 1 calc R . . . .
C21 C 0.2618(2) 0.4724(2) 0.6805(6) 0.0212(10) Uani 1 1 d . . . . .
C22 C 0.2283(3) 0.4817(3) 0.5101(6) 0.0285(12) Uani 1 1 d . . . . .
H22 H 0.197435 0.442196 0.511575 0.034 Uiso 1 1 calc R . . . .
C23 C 0.2723(3) 0.4851(3) 0.4641(6) 0.0387(16) Uani 1 1 d . . . . .
H23A H 0.289183 0.464027 0.480427 0.058 Uiso 1 1 calc GR . . . .
H23B H 0.301111 0.523986 0.458447 0.058 Uiso 1 1 calc GR . . . .
H23C H 0.254630 0.469346 0.424211 0.058 Uiso 1 1 calc GR . . . .
C24 C 0.2042(3) 0.5175(4) 0.4884(6) 0.0444(18) Uani 1 1 d . . . . .
H24A H 0.170155 0.507368 0.511653 0.067 Uiso 1 1 calc GR . . . .
H24B H 0.195588 0.511288 0.444143 0.067 Uiso 1 1 calc GR . . . .
H24C H 0.231323 0.556705 0.495579 0.067 Uiso 1 1 calc GR . . . .
C25 C 0.2462(3) 0.4300(3) 0.7327(6) 0.0240(11) Uani 1 1 d . . . . .
H25 H 0.215938 0.393365 0.717137 0.029 Uiso 1 1 calc R . . . .
C26 C 0.2959(4) 0.4234(4) 0.7495(6) 0.0413(17) Uani 1 1 d . . . . .
H26A H 0.310400 0.415125 0.712101 0.062 Uiso 1 1 calc GR . . . .
H26B H 0.284316 0.392865 0.779208 0.062 Uiso 1 1 calc GR . . . .
H26C H 0.325036 0.457905 0.768139 0.062 Uiso 1 1 calc GR . . . .
C27 C 0.2245(4) 0.4455(3) 0.7887(6) 0.0382(16) Uani 1 1 d . . . . .
H27A H 0.251615 0.483381 0.801631 0.057 Uiso 1 1 calc GR . . . .
H27B H 0.218403 0.419616 0.822486 0.057 Uiso 1 1 calc GR . . . .
H27C H 0.189304 0.443760 0.778244 0.057 Uiso 1 1 calc GR . . . .
O2 O 0.293150 0.608070 0.347341 0.075(4) Uani 0.5 1 d . . P . .
H2C H 0.267449 0.614321 0.333110 0.13(13) Uiso 0.5 1 d . . P . .
H2D H 0.324400 0.629741 0.328641 0.12(12) Uiso 0.5 1 d . . P . .


_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
Sb F1 1.841(5) . ?
Sb F2 1.882(4) . ?
Sb F3 1.855(4) . ?
Sb F4 1.893(5) . ?
Sb F5 1.869(4) . ?
Sb F6 1.846(5) . ?
Cu O1 1.902(4) . ?
Cu C1 1.876(5) . ?
O1 H1A 0.9086 . ?
O1 H1B 0.9080 . ?
N1 C1 1.331(7) . ?
N1 C2 1.478(6) . ?
N1 C4 1.443(7) . ?
N2 C1 1.335(7) . ?
N2 C3 1.471(6) . ?
N2 C16 1.433(7) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C2 C3 1.545(8) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C4 C5 1.408(8) . ?
C4 C9 1.402(7) . ?
C5 C6 1.389(8) . ?
C5 C10 1.532(8) . ?
C6 H6 0.9500 . ?
C6 C7 1.374(10) . ?
C7 H7 0.9500 . ?
C7 C8 1.394(10) . ?
C8 H8 0.9500 . ?
C8 C9 1.392(8) . ?
C9 C13 1.525(8) . ?
C10 H10 1.0000 . ?
C10 C11 1.512(9) . ?
C10 C12 1.533(9) . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 H13 1.0000 . ?
C13 C14 1.512(9) . ?
C13 C15 1.513(9) . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 C17 1.413(8) . ?
C16 C21 1.394(8) . ?
C17 C18 1.383(9) . ?
C17 C22 1.505(8) . ?
C18 H18 0.9500 . ?
C18 C19 1.389(9) . ?
C19 H19 0.9500 . ?
C19 C20 1.378(10) . ?
C20 H20 0.9500 . ?
C20 C21 1.394(8) . ?
C21 C25 1.529(8) . ?
C22 H22 1.0000 . ?
C22 C23 1.540(9) . ?
C22 C24 1.526(10) . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 H25 1.0000 . ?
C25 C26 1.528(9) . ?
C25 C27 1.508(8) . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
O2 H2C 0.87138(2) . ?
O2 H2D 0.87030(4) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
F1 Sb F2 89.1(2) . . ?
F1 Sb F3 88.2(3) . . ?
F1 Sb F4 175.4(4) . . ?
F1 Sb F5 92.5(3) . . ?
F1 Sb F6 92.8(4) . . ?
F2 Sb F4 88.6(2) . . ?
F3 Sb F2 88.45(19) . . ?
F3 Sb F4 87.6(2) . . ?
F3 Sb F5 89.1(2) . . ?
F5 Sb F2 177.0(3) . . ?
F5 Sb F4 89.6(3) . . ?
F6 Sb F2 90.1(2) . . ?
F6 Sb F3 178.2(3) . . ?
F6 Sb F4 91.2(4) . . ?
F6 Sb F5 92.4(2) . . ?
C1 Cu O1 167.5(2) . . ?
Cu O1 H1A 112.0 . . ?
Cu O1 H1B 111.6 . . ?
H1A O1 H1B 101.6 . . ?
C1 N1 C2 113.3(4) . . ?
C1 N1 C4 121.9(4) . . ?
C4 N1 C2 124.1(4) . . ?
C1 N2 C3 113.0(4) . . ?
C1 N2 C16 126.4(4) . . ?
C16 N2 C3 120.6(4) . . ?
N1 C1 Cu 122.2(4) . . ?
N1 C1 N2 109.1(4) . . ?
N2 C1 Cu 128.3(4) . . ?
N1 C2 H2A 111.4 . . ?
N1 C2 H2B 111.4 . . ?
N1 C2 C3 101.8(4) . . ?
H2A C2 H2B 109.3 . . ?
C3 C2 H2A 111.4 . . ?
C3 C2 H2B 111.4 . . ?
N2 C3 C2 102.7(4) . . ?
N2 C3 H3A 111.2 . . ?
N2 C3 H3B 111.2 . . ?
C2 C3 H3A 111.2 . . ?
C2 C3 H3B 111.2 . . ?
H3A C3 H3B 109.1 . . ?
C5 C4 N1 119.0(5) . . ?
C9 C4 N1 118.5(5) . . ?
C9 C4 C5 122.4(5) . . ?
C4 C5 C10 121.4(5) . . ?
C6 C5 C4 117.7(5) . . ?
C6 C5 C10 120.8(5) . . ?
C5 C6 H6 119.6 . . ?
C7 C6 C5 120.8(6) . . ?
C7 C6 H6 119.6 . . ?
C6 C7 H7 119.7 . . ?
C6 C7 C8 120.6(6) . . ?
C8 C7 H7 119.7 . . ?
C7 C8 H8 119.5 . . ?
C9 C8 C7 121.0(6) . . ?
C9 C8 H8 119.5 . . ?
C4 C9 C13 122.6(5) . . ?
C8 C9 C4 117.1(6) . . ?
C8 C9 C13 120.3(5) . . ?
C5 C10 H10 108.0 . . ?
C5 C10 C12 111.9(5) . . ?
C11 C10 C5 111.9(5) . . ?
C11 C10 H10 108.0 . . ?
C11 C10 C12 108.9(6) . . ?
C12 C10 H10 108.0 . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C10 C12 H12A 109.5 . . ?
C10 C12 H12B 109.5 . . ?
C10 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C9 C13 H13 107.8 . . ?
C14 C13 C9 112.2(5) . . ?
C14 C13 H13 107.8 . . ?
C14 C13 C15 110.4(6) . . ?
C15 C13 C9 110.6(6) . . ?
C15 C13 H13 107.8 . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C13 C15 H15A 109.5 . . ?
C13 C15 H15B 109.5 . . ?
C13 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C17 C16 N2 119.3(5) . . ?
C21 C16 N2 118.7(5) . . ?
C21 C16 C17 122.0(5) . . ?
C16 C17 C22 121.9(5) . . ?
C18 C17 C16 117.5(5) . . ?
C18 C17 C22 120.6(5) . . ?
C17 C18 H18 119.2 . . ?
C17 C18 C19 121.6(6) . . ?
C19 C18 H18 119.2 . . ?
C18 C19 H19 120.2 . . ?
C20 C19 C18 119.6(6) . . ?
C20 C19 H19 120.2 . . ?
C19 C20 H20 119.3 . . ?
C19 C20 C21 121.3(6) . . ?
C21 C20 H20 119.3 . . ?
C16 C21 C20 117.9(5) . . ?
C16 C21 C25 122.6(5) . . ?
C20 C21 C25 119.4(5) . . ?
C17 C22 H22 108.0 . . ?
C17 C22 C23 110.2(5) . . ?
C17 C22 C24 111.7(6) . . ?
C23 C22 H22 108.0 . . ?
C24 C22 H22 108.0 . . ?
C24 C22 C23 110.9(6) . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C22 C24 H24A 109.5 . . ?
C22 C24 H24B 109.5 . . ?
C22 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C21 C25 H25 107.9 . . ?
C26 C25 C21 110.0(5) . . ?
C26 C25 H25 107.9 . . ?
C27 C25 C21 111.8(5) . . ?
C27 C25 H25 107.9 . . ?
C27 C25 C26 111.1(6) . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C25 C27 H27A 109.5 . . ?
C25 C27 H27B 109.5 . . ?
C25 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
H2C O2 H2D 109.419(1) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_rad748_0m_a
_database_code_depnum_ccdc_archive 'CCDC 2016687'
loop_
_audit_author_name
_audit_author_address
'Rasika Dias'
;The University of Texas at Arlington
United States of America
;
_audit_update_record             
;
2020-07-15 deposited with the CCDC.	2021-01-05 downloaded from the CCDC.
;
_audit_creation_date             2020-03-11
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C22 H37 Au N O, F6 Sb'
_chemical_formula_sum            'C22 H37 Au F6 N O Sb'
_chemical_formula_weight         764.24
_chemical_melting_point          ?
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'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.5866 1.5461 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           61
_space_group_name_H-M_alt        'P b c a'
_space_group_name_Hall           '-P 2ac 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, z-1/2'
'-x-1/2, y-1/2, z'

_cell_length_a                   12.9320(5)
_cell_length_b                   16.4501(6)
_cell_length_c                   24.4593(9)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     5203.3(3)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    9753
_cell_measurement_temperature    100.01
_cell_measurement_theta_max      33.29
_cell_measurement_theta_min      2.61
_shelx_estimated_absorpt_T_max   0.650
_shelx_estimated_absorpt_T_min   0.412
_exptl_absorpt_coefficient_mu    6.728
_exptl_absorpt_correction_T_max  0.7465
_exptl_absorpt_correction_T_min  0.4888
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.1274 before and 0.0602 after correction. The Ratio of minimum to maximum transmission is 0.6548. The λ/2 correction factor is Not present.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.951
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       parallelpipeds
_exptl_crystal_F_000             2944
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.07
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0461
_diffrn_reflns_av_unetI/netI     0.0250
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       37
_diffrn_reflns_limit_l_min       -37
_diffrn_reflns_number            81547
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         33.325
_diffrn_reflns_theta_min         2.605
_diffrn_ambient_temperature      100.01
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                8342
_reflns_number_total             10017
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40A (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40A (?, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         1.168
_refine_diff_density_min         -0.803
_refine_diff_density_rms         0.127
_refine_ls_extinction_coef       0.000148(13)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.050
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     299
_refine_ls_number_reflns         10017
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0349
_refine_ls_R_factor_gt           0.0233
_refine_ls_restrained_S_all      1.050
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0120P)²+8.1320P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0427
_refine_ls_wR_factor_ref         0.0458
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H,H) groups
2.a Rotating group:
 O(HA,HB)
2.b Ternary CH refined with riding coordinates:
 C11(H11), C14(H14)
2.c Secondary CH2 refined with riding coordinates:
 C3(H3A,H3B), C19(H19A,H19B), C21(H21A,H21B)
2.d Aromatic/amide H refined with riding coordinates:
 C7(H7), C8(H8), C9(H9)
2.e Idealised Me refined as rotating group:
 C12(H12A,H12B,H12C), C13(H13A,H13B,H13C), C15(H15A,H15B,H15C), C16(H16A,H16B,
 H16C), C17(H17A,H17B,H17C), C18(H18A,H18B,H18C), C20(H20A,H20B,H20C), C22(H22A,
 H22B,H22C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au Au 0.83448(2) 0.41408(2) 0.66734(2) 0.01239(2) Uani 1 1 d . . . . .
O O 0.87314(12) 0.30175(9) 0.70152(7) 0.0169(3) Uani 1 1 d . . . . .
HA H 0.851971 0.299892 0.735373 0.025 Uiso 1 1 d GR . . . .
HB H 0.940249 0.297590 0.703881 0.025 Uiso 1 1 d GR . . . .
N N 0.72633(13) 0.53297(11) 0.60085(7) 0.0124(3) Uani 1 1 d . . . . .
C1 C 0.79569(15) 0.52055(13) 0.63814(8) 0.0137(4) Uani 1 1 d . . . . .
C2 C 0.70770(17) 0.62235(13) 0.58628(9) 0.0157(4) Uani 1 1 d . . . . .
C3 C 0.78126(18) 0.66529(13) 0.62633(10) 0.0187(4) Uani 1 1 d . . . . .
H3A H 0.741174 0.698258 0.652736 0.022 Uiso 1 1 calc R . . . .
H3B H 0.828533 0.701877 0.606126 0.022 Uiso 1 1 calc R . . . .
C4 C 0.84394(16) 0.59944(12) 0.65685(9) 0.0149(4) Uani 1 1 d . . . . .
C5 C 0.67330(15) 0.46560(12) 0.57350(8) 0.0123(3) Uani 1 1 d . . . . .
C6 C 0.57984(16) 0.43699(13) 0.59565(9) 0.0147(4) Uani 1 1 d . . . . .
C7 C 0.53152(17) 0.37243(14) 0.56876(9) 0.0176(4) Uani 1 1 d . . . . .
H7 H 0.467710 0.352227 0.582391 0.021 Uiso 1 1 calc R . . . .
C8 C 0.57461(18) 0.33726(14) 0.52270(10) 0.0193(4) Uani 1 1 d . . . . .
H8 H 0.539981 0.293831 0.504798 0.023 Uiso 1 1 calc R . . . .
C9 C 0.66814(17) 0.36533(14) 0.50268(9) 0.0176(4) Uani 1 1 d . . . . .
H9 H 0.697400 0.340368 0.471258 0.021 Uiso 1 1 calc R . . . .
C10 C 0.72042(16) 0.42966(13) 0.52778(9) 0.0141(4) Uani 1 1 d . . . . .
C11 C 0.53310(16) 0.46844(14) 0.64852(9) 0.0173(4) Uani 1 1 d . . . . .
H11 H 0.574252 0.516703 0.660549 0.021 Uiso 1 1 calc R . . . .
C12 C 0.5399(2) 0.40357(16) 0.69367(10) 0.0250(5) Uani 1 1 d . . . . .
H12A H 0.498572 0.356129 0.683180 0.038 Uiso 1 1 calc GR . . . .
H12B H 0.513283 0.426047 0.728004 0.038 Uiso 1 1 calc GR . . . .
H12C H 0.612162 0.387196 0.698592 0.038 Uiso 1 1 calc GR . . . .
C13 C 0.42055(18) 0.49573(17) 0.64069(12) 0.0265(5) Uani 1 1 d . . . . .
H13A H 0.417128 0.536380 0.611461 0.040 Uiso 1 1 calc GR . . . .
H13B H 0.394748 0.519507 0.674802 0.040 Uiso 1 1 calc GR . . . .
H13C H 0.377923 0.448711 0.630818 0.040 Uiso 1 1 calc GR . . . .
C14 C 0.82743(16) 0.45239(13) 0.50657(9) 0.0161(4) Uani 1 1 d . . . . .
H14 H 0.853038 0.499603 0.528486 0.019 Uiso 1 1 calc R . . . .
C15 C 0.82459(19) 0.47818(15) 0.44614(9) 0.0214(4) Uani 1 1 d . . . . .
H15A H 0.803651 0.431793 0.423563 0.032 Uiso 1 1 calc GR . . . .
H15B H 0.893459 0.496571 0.434885 0.032 Uiso 1 1 calc GR . . . .
H15C H 0.774868 0.522589 0.441461 0.032 Uiso 1 1 calc GR . . . .
C16 C 0.90290(18) 0.38152(16) 0.51485(11) 0.0227(5) Uani 1 1 d . . . . .
H16A H 0.901791 0.364582 0.553262 0.034 Uiso 1 1 calc GR . . . .
H16B H 0.972918 0.398912 0.504955 0.034 Uiso 1 1 calc GR . . . .
H16C H 0.882203 0.335776 0.491632 0.034 Uiso 1 1 calc GR . . . .
C17 C 0.59461(18) 0.64526(14) 0.59577(11) 0.0222(5) Uani 1 1 d . . . . .
H17A H 0.550198 0.611528 0.572546 0.033 Uiso 1 1 calc GR . . . .
H17B H 0.584288 0.702682 0.586604 0.033 Uiso 1 1 calc GR . . . .
H17C H 0.576815 0.636254 0.634241 0.033 Uiso 1 1 calc GR . . . .
C18 C 0.7345(2) 0.63778(15) 0.52660(10) 0.0238(5) Uani 1 1 d . . . . .
H18A H 0.807423 0.624648 0.520290 0.036 Uiso 1 1 calc GR . . . .
H18B H 0.722224 0.695110 0.517844 0.036 Uiso 1 1 calc GR . . . .
H18C H 0.691022 0.603513 0.503224 0.036 Uiso 1 1 calc GR . . . .
C19 C 0.83697(18) 0.60659(15) 0.71968(9) 0.0205(4) Uani 1 1 d . . . . .
H19A H 0.886156 0.567513 0.736151 0.025 Uiso 1 1 calc R . . . .
H19B H 0.859240 0.661893 0.730458 0.025 Uiso 1 1 calc R . . . .
C20 C 0.7293(2) 0.59080(16) 0.74361(11) 0.0258(5) Uani 1 1 d . . . . .
H20A H 0.679057 0.627270 0.726322 0.039 Uiso 1 1 calc GR . . . .
H20B H 0.730484 0.600797 0.783107 0.039 Uiso 1 1 calc GR . . . .
H20C H 0.709394 0.534229 0.736716 0.039 Uiso 1 1 calc GR . . . .
C21 C 0.95825(17) 0.59703(14) 0.63847(10) 0.0190(4) Uani 1 1 d . . . . .
H21A H 0.991559 0.548454 0.654611 0.023 Uiso 1 1 calc R . . . .
H21B H 0.960559 0.591013 0.598214 0.023 Uiso 1 1 calc R . . . .
C22 C 1.02071(19) 0.67227(16) 0.65455(12) 0.0274(5) Uani 1 1 d . . . . .
H22A H 1.090573 0.668185 0.639273 0.041 Uiso 1 1 calc GR . . . .
H22B H 1.024888 0.675793 0.694487 0.041 Uiso 1 1 calc GR . . . .
H22C H 0.986698 0.721043 0.640201 0.041 Uiso 1 1 calc GR . . . .
Sb Sb 0.67499(2) 0.29604(2) 0.85085(2) 0.01519(3) Uani 1 1 d . . . . .
F1 F 0.77576(13) 0.28518(11) 0.79560(6) 0.0336(4) Uani 1 1 d . . . . .
F2 F 0.57323(12) 0.26959(11) 0.79808(7) 0.0364(4) Uani 1 1 d . . . . .
F3 F 0.66010(17) 0.40484(10) 0.83251(8) 0.0457(5) Uani 1 1 d . . . . .
F4 F 0.77838(12) 0.32020(11) 0.90124(7) 0.0329(4) Uani 1 1 d . . . . .
F5 F 0.68982(14) 0.18581(9) 0.86556(7) 0.0324(4) Uani 1 1 d . . . . .
F6 F 0.57313(13) 0.30462(12) 0.90418(8) 0.0460(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
Au O 2.0889(15) . ?
Au C1 1.957(2) . ?
O HA 0.8726 . ?
O HB 0.8725 . ?
N C1 1.295(3) . ?
N C2 1.532(3) . ?
N C5 1.465(3) . ?
C1 C4 1.511(3) . ?
C2 C3 1.537(3) . ?
C2 C17 1.528(3) . ?
C2 C18 1.522(3) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C3 C4 1.545(3) . ?
C4 C19 1.544(3) . ?
C4 C21 1.546(3) . ?
C5 C6 1.406(3) . ?
C5 C10 1.404(3) . ?
C6 C7 1.397(3) . ?
C6 C11 1.518(3) . ?
C7 H7 0.9500 . ?
C7 C8 1.384(3) . ?
C8 H8 0.9500 . ?
C8 C9 1.384(3) . ?
C9 H9 0.9500 . ?
C9 C10 1.398(3) . ?
C10 C14 1.524(3) . ?
C11 H11 1.0000 . ?
C11 C12 1.538(3) . ?
C11 C13 1.535(3) . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14 1.0000 . ?
C14 C15 1.538(3) . ?
C14 C16 1.534(3) . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C19 C20 1.533(3) . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C21 C22 1.529(3) . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
Sb F1 1.8858(15) . ?
Sb F2 1.8940(15) . ?
Sb F3 1.8551(17) . ?
Sb F4 1.8614(15) . ?
Sb F5 1.8586(15) . ?
Sb F6 1.8592(16) . ?

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
C1 Au O 177.68(7) . . ?
Au O HA 109.6 . . ?
Au O HB 109.5 . . ?
HA O HB 104.3 . . ?
C1 N C2 115.09(18) . . ?
C1 N C5 121.76(18) . . ?
C5 N C2 123.11(16) . . ?
N C1 Au 125.15(16) . . ?
N C1 C4 111.33(19) . . ?
C4 C1 Au 123.52(15) . . ?
N C2 C3 101.27(16) . . ?
C17 C2 N 110.60(17) . . ?
C17 C2 C3 112.47(19) . . ?
C18 C2 N 110.33(18) . . ?
C18 C2 C3 113.2(2) . . ?
C18 C2 C17 108.81(19) . . ?
C2 C3 H3A 110.1 . . ?
C2 C3 H3B 110.1 . . ?
C2 C3 C4 108.08(17) . . ?
H3A C3 H3B 108.4 . . ?
C4 C3 H3A 110.1 . . ?
C4 C3 H3B 110.1 . . ?
C1 C4 C3 103.83(17) . . ?
C1 C4 C19 110.05(18) . . ?
C1 C4 C21 106.55(17) . . ?
C3 C4 C21 112.27(19) . . ?
C19 C4 C3 113.39(18) . . ?
C19 C4 C21 110.33(18) . . ?
C6 C5 N 118.68(18) . . ?
C10 C5 N 118.62(18) . . ?
C10 C5 C6 122.62(19) . . ?
C5 C6 C11 123.81(19) . . ?
C7 C6 C5 117.2(2) . . ?
C7 C6 C11 118.82(19) . . ?
C6 C7 H7 119.3 . . ?
C8 C7 C6 121.4(2) . . ?
C8 C7 H7 119.3 . . ?
C7 C8 H8 120.0 . . ?
C7 C8 C9 120.0(2) . . ?
C9 C8 H8 120.0 . . ?
C8 C9 H9 119.3 . . ?
C8 C9 C10 121.3(2) . . ?
C10 C9 H9 119.3 . . ?
C5 C10 C14 124.17(19) . . ?
C9 C10 C5 117.30(19) . . ?
C9 C10 C14 118.38(19) . . ?
C6 C11 H11 108.0 . . ?
C6 C11 C12 110.63(19) . . ?
C6 C11 C13 111.77(19) . . ?
C12 C11 H11 108.0 . . ?
C13 C11 H11 108.0 . . ?
C13 C11 C12 110.3(2) . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C11 C13 H13A 109.5 . . ?
C11 C13 H13B 109.5 . . ?
C11 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C10 C14 H14 108.0 . . ?
C10 C14 C15 111.89(18) . . ?
C10 C14 C16 110.26(18) . . ?
C15 C14 H14 108.0 . . ?
C16 C14 H14 108.0 . . ?
C16 C14 C15 110.58(18) . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C14 C16 H16A 109.5 . . ?
C14 C16 H16B 109.5 . . ?
C14 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C2 C17 H17A 109.5 . . ?
C2 C17 H17B 109.5 . . ?
C2 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C2 C18 H18A 109.5 . . ?
C2 C18 H18B 109.5 . . ?
C2 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C4 C19 H19A 108.6 . . ?
C4 C19 H19B 108.6 . . ?
H19A C19 H19B 107.5 . . ?
C20 C19 C4 114.85(19) . . ?
C20 C19 H19A 108.6 . . ?
C20 C19 H19B 108.6 . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C4 C21 H21A 108.7 . . ?
C4 C21 H21B 108.7 . . ?
H21A C21 H21B 107.6 . . ?
C22 C21 C4 114.18(19) . . ?
C22 C21 H21A 108.7 . . ?
C22 C21 H21B 108.7 . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
C21 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
F1 Sb F2 88.28(8) . . ?
F3 Sb F1 89.42(9) . . ?
F3 Sb F2 89.12(8) . . ?
F3 Sb F4 91.64(8) . . ?
F3 Sb F5 177.17(8) . . ?
F3 Sb F6 91.30(10) . . ?
F4 Sb F1 89.91(8) . . ?
F4 Sb F2 178.03(7) . . ?
F5 Sb F1 88.57(8) . . ?
F5 Sb F2 88.83(8) . . ?
F5 Sb F4 90.35(8) . . ?
F5 Sb F6 90.65(9) . . ?
F6 Sb F1 178.30(8) . . ?
F6 Sb F2 90.19(8) . . ?
F6 Sb F4 91.61(8) . . ?

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
Au C1 C4 C3 -174.84(15) . . . . ?
Au C1 C4 C19 -53.2(2) . . . . ?
Au C1 C4 C21 66.5(2) . . . . ?
N C1 C4 C3 5.1(2) . . . . ?
N C1 C4 C19 126.8(2) . . . . ?
N C1 C4 C21 -113.6(2) . . . . ?
N C2 C3 C4 5.3(2) . . . . ?
N C5 C6 C7 -179.68(18) . . . . ?
N C5 C6 C11 -3.8(3) . . . . ?
N C5 C10 C9 179.77(18) . . . . ?
N C5 C10 C14 4.2(3) . . . . ?
C1 N C2 C3 -2.3(2) . . . . ?
C1 N C2 C17 -121.7(2) . . . . ?
C1 N C2 C18 117.9(2) . . . . ?
C1 N C5 C6 91.4(2) . . . . ?
C1 N C5 C10 -85.5(2) . . . . ?
C1 C4 C19 C20 -49.9(3) . . . . ?
C1 C4 C21 C22 -179.3(2) . . . . ?
C2 N C1 Au 178.10(14) . . . . ?
C2 N C1 C4 -1.8(2) . . . . ?
C2 N C5 C6 -91.1(2) . . . . ?
C2 N C5 C10 92.0(2) . . . . ?
C2 C3 C4 C1 -6.3(2) . . . . ?
C2 C3 C4 C19 -125.8(2) . . . . ?
C2 C3 C4 C21 108.4(2) . . . . ?
C3 C4 C19 C20 65.9(3) . . . . ?
C3 C4 C21 C22 67.6(3) . . . . ?
C5 N C1 Au -4.2(3) . . . . ?
C5 N C1 C4 175.87(17) . . . . ?
C5 N C2 C3 -179.94(18) . . . . ?
C5 N C2 C17 60.6(3) . . . . ?
C5 N C2 C18 -59.8(3) . . . . ?
C5 C6 C7 C8 0.9(3) . . . . ?
C5 C6 C11 C12 -109.8(2) . . . . ?
C5 C6 C11 C13 126.9(2) . . . . ?
C5 C10 C14 C15 -124.0(2) . . . . ?
C5 C10 C14 C16 112.5(2) . . . . ?
C6 C5 C10 C9 2.9(3) . . . . ?
C6 C5 C10 C14 -172.59(19) . . . . ?
C6 C7 C8 C9 0.8(3) . . . . ?
C7 C6 C11 C12 66.0(3) . . . . ?
C7 C6 C11 C13 -57.3(3) . . . . ?
C7 C8 C9 C10 -0.7(3) . . . . ?
C8 C9 C10 C5 -1.1(3) . . . . ?
C8 C9 C10 C14 174.7(2) . . . . ?
C9 C10 C14 C15 60.5(3) . . . . ?
C9 C10 C14 C16 -63.0(3) . . . . ?
C10 C5 C6 C7 -2.8(3) . . . . ?
C10 C5 C6 C11 173.0(2) . . . . ?
C11 C6 C7 C8 -175.1(2) . . . . ?
C17 C2 C3 C4 123.3(2) . . . . ?
C18 C2 C3 C4 -112.8(2) . . . . ?
C19 C4 C21 C22 -59.9(3) . . . . ?
C21 C4 C19 C20 -167.2(2) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'

#===END
####################################################################### 
# 
# 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_rad694_0m_a
_database_code_depnum_ccdc_archive 'CCDC 2016682'
loop_
_audit_author_name
_audit_author_address
'Rasika Dias'
;The University of Texas at Arlington
United States of America
;
_audit_update_record             
;
2020-07-15 deposited with the CCDC.	2021-01-05 downloaded from the CCDC.
;
_audit_creation_date             2019-08-28
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'F6 Sb, C31 H48 Ag N2 O, 2(C H2 Cl2)'
_chemical_formula_sum            'C33 H52 Ag Cl4 F6 N2 O Sb'
_chemical_formula_weight         978.18
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.5866 1.5461 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   17.0105(7)
_cell_length_b                   12.2904(5)
_cell_length_c                   21.5411(9)
_cell_angle_alpha                90
_cell_angle_beta                 113.2430(10)
_cell_angle_gamma                90
_cell_volume                     4138.0(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9586
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      36.37
_cell_measurement_theta_min      3.09
_shelx_estimated_absorpt_T_max   0.706
_shelx_estimated_absorpt_T_min   0.625
_exptl_absorpt_coefficient_mu    1.439
_exptl_absorpt_correction_T_max  0.3438
_exptl_absorpt_correction_T_min  0.2912
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.0510 before and 0.0421 after correction. The Ratio of minimum to maximum transmission is 0.8470. The λ/2 correction factor is Not present.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.570
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       rods
_exptl_crystal_F_000             1968
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.26
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0215
_diffrn_reflns_av_unetI/netI     0.0187
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            56604
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.508
_diffrn_reflns_theta_min         2.913
_diffrn_ambient_temperature      100.25
_diffrn_detector_area_resol_mean 8
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  
'Bruker D8 Quest with a Photon 100 CMOS detector'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'sealed tube'
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                11547
_reflns_number_total             12609
_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.
;
_vrf_PLAT910_rad694_0m_a         
;
PROBLEM: Missing # of FCF Reflection(s) Below Theta(Min).         12 Note  
RESPONSE: these were partially obstructed by hardware
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.38A (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (?, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         1.342
_refine_diff_density_min         -1.153
_refine_diff_density_rms         0.082
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     443
_refine_ls_number_reflns         12609
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0254
_refine_ls_R_factor_gt           0.0222
_refine_ls_restrained_S_all      1.041
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0258P)²+2.6976P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0537
_refine_ls_wR_factor_ref         0.0552
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C10(H10), C13(H13), C22(H22), C25(H25)
2.b Secondary CH2 refined with riding coordinates:
 C2(H2A,H2B), C3(H3A,H3B), C28(H28A,H28B), C30(H30A,H30B), C32(H32A,H32B),
 C33(H33A,H33B)
2.c Aromatic/amide H refined with riding coordinates:
 C6(H6), C7(H7), C8(H8), C18(H18), C19(H19), C20(H20)
2.d Idealised Me refined as rotating group:
 C11(H11A,H11B,H11C), C12(H12A,H12B,H12C), C14(H14A,H14B,H14C), C15(H15A,H15B,
 H15C), C23(H23A,H23B,H23C), C24(H24A,H24B,H24C), C26(H26A,H26B,H26C), C27(H27A,
 H27B,H27C), C29(H29A,H29B,H29C), C31(H31A,H31B,H31C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Sb Sb 0.60052(2) 0.30198(2) 0.35340(2) 0.01438(3) Uani 1 1 d . . . . .
F1 F 0.63513(6) 0.39867(7) 0.30137(5) 0.02431(18) Uani 1 1 d . . . . .
F2 F 0.49113(6) 0.29186(9) 0.28452(5) 0.0300(2) Uani 1 1 d . . . . .
F3 F 0.56355(6) 0.42072(8) 0.38994(5) 0.0293(2) Uani 1 1 d . . . . .
F4 F 0.70983(6) 0.31231(8) 0.42306(5) 0.02586(19) Uani 1 1 d . . . . .
F5 F 0.63789(6) 0.18514(7) 0.31590(5) 0.02474(19) Uani 1 1 d . . . . .
F6 F 0.56856(6) 0.20549(8) 0.40713(5) 0.02566(19) Uani 1 1 d . . . . .
Ag Ag 0.36404(2) 0.81690(2) 0.09995(2) 0.01546(3) Uani 1 1 d . . . . .
O O 0.31745(7) 0.93508(9) 0.02152(6) 0.0247(2) Uani 1 1 d . . . . .
N1 N 0.37112(7) 0.61934(9) 0.18733(6) 0.01348(19) Uani 1 1 d . . . . .
N2 N 0.49401(7) 0.70071(9) 0.21923(6) 0.01273(19) Uani 1 1 d . . . . .
C1 C 0.41294(8) 0.70233(10) 0.17514(6) 0.0121(2) Uani 1 1 d . . . . .
C2 C 0.42468(9) 0.55552(11) 0.24733(7) 0.0167(2) Uani 1 1 d . . . . .
H2A H 0.424327 0.477231 0.236406 0.020 Uiso 1 1 calc R . . . .
H2B H 0.405281 0.564501 0.284735 0.020 Uiso 1 1 calc R . . . .
C3 C 0.51362(9) 0.60591(11) 0.26510(7) 0.0187(3) Uani 1 1 d . . . . .
H3A H 0.539558 0.628748 0.313038 0.022 Uiso 1 1 calc R . . . .
H3B H 0.552617 0.554451 0.256051 0.022 Uiso 1 1 calc R . . . .
C4 C 0.28053(8) 0.60353(11) 0.15163(7) 0.0143(2) Uani 1 1 d . . . . .
C5 C 0.25232(9) 0.53147(12) 0.09670(7) 0.0183(2) Uani 1 1 d . . . . .
C6 C 0.16418(10) 0.52091(14) 0.06071(8) 0.0249(3) Uani 1 1 d . . . . .
H6 H 0.143015 0.472710 0.023245 0.030 Uiso 1 1 calc R . . . .
C7 C 0.10703(9) 0.57998(15) 0.07899(8) 0.0256(3) Uani 1 1 d . . . . .
H7 H 0.047248 0.572613 0.053597 0.031 Uiso 1 1 calc R . . . .
C8 C 0.13662(9) 0.64951(14) 0.13396(8) 0.0223(3) Uani 1 1 d . . . . .
H8 H 0.096830 0.689086 0.146084 0.027 Uiso 1 1 calc R . . . .
C9 C 0.22426(9) 0.66228(12) 0.17188(7) 0.0177(2) Uani 1 1 d . . . . .
C10 C 0.31531(10) 0.47235(13) 0.07466(8) 0.0226(3) Uani 1 1 d . . . . .
H10 H 0.371293 0.468193 0.114457 0.027 Uiso 1 1 calc R . . . .
C11 C 0.32940(13) 0.53590(15) 0.01918(10) 0.0334(4) Uani 1 1 d . . . . .
H11A H 0.276035 0.537841 -0.021311 0.050 Uiso 1 1 calc GR . . . .
H11B H 0.374089 0.500379 0.008450 0.050 Uiso 1 1 calc GR . . . .
H11C H 0.347142 0.610341 0.034705 0.050 Uiso 1 1 calc GR . . . .
C12 C 0.28745(15) 0.35611(15) 0.05030(11) 0.0400(5) Uani 1 1 d . . . . .
H12A H 0.276206 0.316035 0.085273 0.060 Uiso 1 1 calc GR . . . .
H12B H 0.333015 0.319602 0.041201 0.060 Uiso 1 1 calc GR . . . .
H12C H 0.235284 0.358286 0.008829 0.060 Uiso 1 1 calc GR . . . .
C13 C 0.25472(10) 0.73757(13) 0.23244(8) 0.0235(3) Uani 1 1 d . . . . .
H13 H 0.318664 0.735087 0.253131 0.028 Uiso 1 1 calc R . . . .
C14 C 0.22225(12) 0.69879(17) 0.28558(9) 0.0344(4) Uani 1 1 d . . . . .
H14A H 0.159726 0.704421 0.267348 0.052 Uiso 1 1 calc GR . . . .
H14B H 0.246986 0.744241 0.326075 0.052 Uiso 1 1 calc GR . . . .
H14C H 0.239225 0.622875 0.297339 0.052 Uiso 1 1 calc GR . . . .
C15 C 0.22764(13) 0.85560(15) 0.21200(11) 0.0374(4) Uani 1 1 d . . . . .
H15A H 0.250914 0.879844 0.179332 0.056 Uiso 1 1 calc GR . . . .
H15B H 0.249648 0.902247 0.252116 0.056 Uiso 1 1 calc GR . . . .
H15C H 0.165062 0.860147 0.191471 0.056 Uiso 1 1 calc GR . . . .
C16 C 0.55794(8) 0.77341(10) 0.21519(6) 0.0134(2) Uani 1 1 d . . . . .
C17 C 0.59713(8) 0.74912(11) 0.17059(7) 0.0156(2) Uani 1 1 d . . . . .
C18 C 0.65668(9) 0.82349(12) 0.16600(8) 0.0198(3) Uani 1 1 d . . . . .
H18 H 0.684676 0.808898 0.136473 0.024 Uiso 1 1 calc R . . . .
C19 C 0.67550(9) 0.91836(12) 0.20394(8) 0.0219(3) Uani 1 1 d . . . . .
H19 H 0.715515 0.968628 0.199689 0.026 Uiso 1 1 calc R . . . .
C20 C 0.63618(9) 0.94023(12) 0.24808(8) 0.0213(3) Uani 1 1 d . . . . .
H20 H 0.650049 1.005103 0.274162 0.026 Uiso 1 1 calc R . . . .
C21 C 0.57656(9) 0.86819(11) 0.25465(7) 0.0168(2) Uani 1 1 d . . . . .
C22 C 0.57649(9) 0.64693(12) 0.12732(7) 0.0185(3) Uani 1 1 d . . . . .
H22 H 0.531225 0.605881 0.136183 0.022 Uiso 1 1 calc R . . . .
C23 C 0.54123(11) 0.67569(14) 0.05225(8) 0.0269(3) Uani 1 1 d . . . . .
H23A H 0.492897 0.725857 0.041735 0.040 Uiso 1 1 calc GR . . . .
H23B H 0.521961 0.609249 0.025334 0.040 Uiso 1 1 calc GR . . . .
H23C H 0.586206 0.710415 0.041522 0.040 Uiso 1 1 calc GR . . . .
C24 C 0.65510(11) 0.57361(14) 0.14649(9) 0.0287(3) Uani 1 1 d . . . . .
H24A H 0.700131 0.611752 0.137522 0.043 Uiso 1 1 calc GR . . . .
H24B H 0.639663 0.506687 0.119625 0.043 Uiso 1 1 calc GR . . . .
H24C H 0.675938 0.555373 0.194608 0.043 Uiso 1 1 calc GR . . . .
C25 C 0.53092(11) 0.89460(13) 0.30073(8) 0.0247(3) Uani 1 1 d . . . . .
H25 H 0.501589 0.826930 0.306135 0.030 Uiso 1 1 calc R . . . .
C26 C 0.59321(13) 0.93043(14) 0.37110(8) 0.0314(4) Uani 1 1 d . . . . .
H26A H 0.637704 0.874995 0.390183 0.047 Uiso 1 1 calc GR . . . .
H26B H 0.562047 0.939519 0.400524 0.047 Uiso 1 1 calc GR . . . .
H26C H 0.619724 0.999683 0.367611 0.047 Uiso 1 1 calc GR . . . .
C27 C 0.46223(11) 0.98135(17) 0.26836(10) 0.0363(4) Uani 1 1 d . . . . .
H27A H 0.489385 1.048788 0.262635 0.054 Uiso 1 1 calc GR . . . .
H27B H 0.431388 0.995105 0.297574 0.054 Uiso 1 1 calc GR . . . .
H27C H 0.421970 0.955687 0.224163 0.054 Uiso 1 1 calc GR . . . .
C28 C 0.22805(10) 0.94198(14) -0.02255(8) 0.0271(3) Uani 1 1 d . . . . .
H28A H 0.221865 0.951033 -0.069919 0.033 Uiso 1 1 calc R . . . .
H28B H 0.201727 1.005703 -0.010126 0.033 Uiso 1 1 calc R . . . .
C29 C 0.18392(11) 0.83945(16) -0.01576(10) 0.0337(4) Uani 1 1 d . . . . .
H29A H 0.123423 0.842585 -0.046443 0.051 Uiso 1 1 calc GR . . . .
H29B H 0.188571 0.832307 0.030872 0.051 Uiso 1 1 calc GR . . . .
H29C H 0.210983 0.776616 -0.027299 0.051 Uiso 1 1 calc GR . . . .
C30 C 0.36665(12) 1.02820(14) 0.01709(10) 0.0330(4) Uani 1 1 d . . . . .
H30A H 0.341802 1.095471 0.027066 0.040 Uiso 1 1 calc R . . . .
H30B H 0.365114 1.034124 -0.029213 0.040 Uiso 1 1 calc R . . . .
C31 C 0.45731(13) 1.01533(18) 0.06690(11) 0.0457(5) Uani 1 1 d . . . . .
H31A H 0.480757 0.947060 0.057981 0.069 Uiso 1 1 calc GR . . . .
H31B H 0.458768 1.013988 0.112826 0.069 Uiso 1 1 calc GR . . . .
H31C H 0.491650 1.076518 0.062433 0.069 Uiso 1 1 calc GR . . . .
Cl1 Cl 0.47231(4) 0.68587(5) -0.13314(3) 0.05144(14) Uani 1 1 d . . . . .
Cl2 Cl 0.32992(5) 0.78138(6) -0.11067(3) 0.05859(16) Uani 1 1 d . . . . .
C32 C 0.36820(15) 0.73844(19) -0.17141(10) 0.0421(5) Uani 1 1 d . . . . .
H32A H 0.329652 0.681817 -0.200344 0.051 Uiso 1 1 calc R . . . .
H32B H 0.368076 0.800733 -0.200587 0.051 Uiso 1 1 calc R . . . .
Cl3 Cl 0.44623(3) 0.76381(4) 0.41537(3) 0.04167(11) Uani 1 1 d . . . . .
Cl4 Cl 0.40084(4) 0.53735(4) 0.42302(2) 0.04082(11) Uani 1 1 d . . . . .
C33 C 0.42531(14) 0.66356(15) 0.46519(9) 0.0338(4) Uani 1 1 d . . . . .
H33A H 0.376680 0.687091 0.476238 0.041 Uiso 1 1 calc R . . . .
H33B H 0.476021 0.655158 0.508114 0.041 Uiso 1 1 calc R . . . .


_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
Sb F1 1.8803(9) . ?
Sb F2 1.8709(9) . ?
Sb F3 1.8804(9) . ?
Sb F4 1.8770(9) . ?
Sb F5 1.8772(9) . ?
Sb F6 1.8810(9) . ?
Ag O 2.1296(10) . ?
Ag C1 2.0579(12) . ?
O C28 1.4428(18) . ?
O C30 1.4431(19) . ?
N1 C1 1.3277(16) . ?
N1 C2 1.4787(16) . ?
N1 C4 1.4381(16) . ?
N2 C1 1.3307(16) . ?
N2 C3 1.4782(16) . ?
N2 C16 1.4364(16) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C2 C3 1.5368(19) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C4 C5 1.4024(19) . ?
C4 C9 1.3990(18) . ?
C5 C6 1.396(2) . ?
C5 C10 1.517(2) . ?
C6 H6 0.9500 . ?
C6 C7 1.389(2) . ?
C7 H7 0.9500 . ?
C7 C8 1.384(2) . ?
C8 H8 0.9500 . ?
C8 C9 1.3976(19) . ?
C9 C13 1.514(2) . ?
C10 H10 1.0000 . ?
C10 C11 1.524(2) . ?
C10 C12 1.531(2) . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 H13 1.0000 . ?
C13 C14 1.530(2) . ?
C13 C15 1.533(2) . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 C17 1.4006(18) . ?
C16 C21 1.4027(18) . ?
C17 C18 1.3966(19) . ?
C17 C22 1.5203(19) . ?
C18 H18 0.9500 . ?
C18 C19 1.387(2) . ?
C19 H19 0.9500 . ?
C19 C20 1.388(2) . ?
C20 H20 0.9500 . ?
C20 C21 1.3949(19) . ?
C21 C25 1.517(2) . ?
C22 H22 1.0000 . ?
C22 C23 1.528(2) . ?
C22 C24 1.528(2) . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 H25 1.0000 . ?
C25 C26 1.532(2) . ?
C25 C27 1.531(3) . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C28 C29 1.503(2) . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?
C30 C31 1.499(3) . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
Cl1 C32 1.755(2) . ?
Cl2 C32 1.757(2) . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
Cl3 C33 1.7601(19) . ?
Cl4 C33 1.762(2) . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?

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 Sb F3 89.67(4) . . ?
F1 Sb F6 178.61(4) . . ?
F2 Sb F1 90.96(4) . . ?
F2 Sb F3 89.50(5) . . ?
F2 Sb F4 179.49(5) . . ?
F2 Sb F5 90.44(5) . . ?
F2 Sb F6 90.44(4) . . ?
F3 Sb F6 90.35(4) . . ?
F4 Sb F1 89.39(4) . . ?
F4 Sb F3 90.13(4) . . ?
F4 Sb F5 89.94(4) . . ?
F4 Sb F6 89.22(4) . . ?
F5 Sb F1 89.32(4) . . ?
F5 Sb F3 178.98(4) . . ?
F5 Sb F6 90.67(4) . . ?
C1 Ag O 177.99(5) . . ?
C28 O Ag 121.84(9) . . ?
C28 O C30 113.46(12) . . ?
C30 O Ag 123.33(10) . . ?
C1 N1 C2 112.77(11) . . ?
C1 N1 C4 122.86(11) . . ?
C4 N1 C2 123.81(10) . . ?
C1 N2 C3 112.70(11) . . ?
C1 N2 C16 122.93(11) . . ?
C16 N2 C3 123.66(11) . . ?
N1 C1 Ag 126.85(9) . . ?
N1 C1 N2 109.43(11) . . ?
N2 C1 Ag 123.72(9) . . ?
N1 C2 H2A 111.3 . . ?
N1 C2 H2B 111.3 . . ?
N1 C2 C3 102.15(10) . . ?
H2A C2 H2B 109.2 . . ?
C3 C2 H2A 111.3 . . ?
C3 C2 H2B 111.3 . . ?
N2 C3 C2 102.17(10) . . ?
N2 C3 H3A 111.3 . . ?
N2 C3 H3B 111.3 . . ?
C2 C3 H3A 111.3 . . ?
C2 C3 H3B 111.3 . . ?
H3A C3 H3B 109.2 . . ?
C5 C4 N1 118.30(12) . . ?
C9 C4 N1 118.95(12) . . ?
C9 C4 C5 122.73(12) . . ?
C4 C5 C10 121.17(12) . . ?
C6 C5 C4 117.53(13) . . ?
C6 C5 C10 121.20(13) . . ?
C5 C6 H6 119.6 . . ?
C7 C6 C5 120.83(14) . . ?
C7 C6 H6 119.6 . . ?
C6 C7 H7 119.8 . . ?
C8 C7 C6 120.42(13) . . ?
C8 C7 H7 119.8 . . ?
C7 C8 H8 119.6 . . ?
C7 C8 C9 120.89(14) . . ?
C9 C8 H8 119.6 . . ?
C4 C9 C13 122.71(12) . . ?
C8 C9 C4 117.59(13) . . ?
C8 C9 C13 119.70(13) . . ?
C5 C10 H10 107.9 . . ?
C5 C10 C11 110.43(13) . . ?
C5 C10 C12 113.12(14) . . ?
C11 C10 H10 107.9 . . ?
C11 C10 C12 109.43(13) . . ?
C12 C10 H10 107.9 . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C10 C12 H12A 109.5 . . ?
C10 C12 H12B 109.5 . . ?
C10 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C9 C13 H13 107.9 . . ?
C9 C13 C14 110.63(14) . . ?
C9 C13 C15 111.64(14) . . ?
C14 C13 H13 107.9 . . ?
C14 C13 C15 110.69(14) . . ?
C15 C13 H13 107.9 . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C13 C15 H15A 109.5 . . ?
C13 C15 H15B 109.5 . . ?
C13 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C17 C16 N2 119.06(11) . . ?
C17 C16 C21 122.54(12) . . ?
C21 C16 N2 118.37(11) . . ?
C16 C17 C22 122.64(12) . . ?
C18 C17 C16 117.64(12) . . ?
C18 C17 C22 119.71(12) . . ?
C17 C18 H18 119.5 . . ?
C19 C18 C17 120.91(13) . . ?
C19 C18 H18 119.5 . . ?
C18 C19 H19 119.8 . . ?
C18 C19 C20 120.33(13) . . ?
C20 C19 H19 119.8 . . ?
C19 C20 H20 119.6 . . ?
C19 C20 C21 120.86(13) . . ?
C21 C20 H20 119.6 . . ?
C16 C21 C25 121.52(12) . . ?
C20 C21 C16 117.71(13) . . ?
C20 C21 C25 120.72(12) . . ?
C17 C22 H22 108.0 . . ?
C17 C22 C23 110.92(12) . . ?
C17 C22 C24 110.84(12) . . ?
C23 C22 H22 108.0 . . ?
C23 C22 C24 111.02(12) . . ?
C24 C22 H22 108.0 . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C22 C24 H24A 109.5 . . ?
C22 C24 H24B 109.5 . . ?
C22 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C21 C25 H25 107.8 . . ?
C21 C25 C26 112.10(14) . . ?
C21 C25 C27 110.27(14) . . ?
C26 C25 H25 107.8 . . ?
C27 C25 H25 107.8 . . ?
C27 C25 C26 110.85(13) . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C25 C27 H27A 109.5 . . ?
C25 C27 H27B 109.5 . . ?
C25 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
O C28 H28A 109.9 . . ?
O C28 H28B 109.9 . . ?
O C28 C29 108.91(13) . . ?
H28A C28 H28B 108.3 . . ?
C29 C28 H28A 109.9 . . ?
C29 C28 H28B 109.9 . . ?
C28 C29 H29A 109.5 . . ?
C28 C29 H29B 109.5 . . ?
C28 C29 H29C 109.5 . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
O C30 H30A 109.8 . . ?
O C30 H30B 109.8 . . ?
O C30 C31 109.18(13) . . ?
H30A C30 H30B 108.3 . . ?
C31 C30 H30A 109.8 . . ?
C31 C30 H30B 109.8 . . ?
C30 C31 H31A 109.5 . . ?
C30 C31 H31B 109.5 . . ?
C30 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
Cl1 C32 Cl2 111.25(11) . . ?
Cl1 C32 H32A 109.4 . . ?
Cl1 C32 H32B 109.4 . . ?
Cl2 C32 H32A 109.4 . . ?
Cl2 C32 H32B 109.4 . . ?
H32A C32 H32B 108.0 . . ?
Cl3 C33 Cl4 111.43(10) . . ?
Cl3 C33 H33A 109.3 . . ?
Cl3 C33 H33B 109.3 . . ?
Cl4 C33 H33A 109.3 . . ?
Cl4 C33 H33B 109.3 . . ?
H33A C33 H33B 108.0 . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_rad703_0m_a
_database_code_depnum_ccdc_archive 'CCDC 2016683'
loop_
_audit_author_name
_audit_author_address
'Rasika Dias'
;The University of Texas at Arlington
United States of America
;
_audit_update_record             
;
2020-07-15 deposited with the CCDC.	2021-01-05 downloaded from the CCDC.
;
_audit_creation_date             2019-10-03
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'F6 Sb, C26 H45 Ag N O'
_chemical_formula_sum            'C26 H45 Ag F6 N O Sb'
_chemical_formula_weight         731.25
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.5866 1.5461 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
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                   10.0885(4)
_cell_length_b                   41.0903(15)
_cell_length_c                   21.5549(8)
_cell_angle_alpha                90
_cell_angle_beta                 93.0160(10)
_cell_angle_gamma                90
_cell_volume                     8923.0(6)
_cell_formula_units_Z            12
_cell_measurement_reflns_used    9681
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.72
_cell_measurement_theta_min      3.08
_shelx_estimated_absorpt_T_max   0.829
_shelx_estimated_absorpt_T_min   0.642
_exptl_absorpt_coefficient_mu    1.623
_exptl_absorpt_correction_T_max  0.2098
_exptl_absorpt_correction_T_min  0.1596
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.0776 before and 0.0531 after correction. The Ratio of minimum to maximum transmission is 0.7607. The λ/2 correction factor is Not present.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.633
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       rods
_exptl_crystal_F_000             4416
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.12
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0323
_diffrn_reflns_av_unetI/netI     0.0239
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       53
_diffrn_reflns_limit_k_min       -53
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            100629
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.485
_diffrn_reflns_theta_min         2.872
_diffrn_ambient_temperature      100.01
_diffrn_detector_area_resol_mean 8
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  
'Bruker D8 Quest with a Photon 100 CMOS detector'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'sealed tube'
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                17862
_reflns_number_total             20413
_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.
;
_vrf_PLAT910_rad703_0m_a         
;
PROBLEM: Missing # of FCF Reflection(s) Below Theta(Min).         26 Note  
RESPONSE: These reflections have been partially obstructed by hardware
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.38A (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (?, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         2.592
_refine_diff_density_min         -1.183
_refine_diff_density_rms         0.096
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.108
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1003
_refine_ls_number_reflns         20413
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0396
_refine_ls_R_factor_gt           0.0319
_refine_ls_restrained_S_all      1.108
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0277P)²+14.6206P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0710
_refine_ls_wR_factor_ref         0.0737
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C17(H17), C20(H20), C43(H43), C46(H46), C69(H69), C72(H72)
2.b Secondary CH2 refined with riding coordinates:
 C3(H3A,H3B), C5(H5A,H5B), C7(H7A,H7B), C23(H23A,H23B), C25(H25A,H25B),
 C29(H29A,H29B), C31(H31A,H31B), C33(H33A,H33B), C49(H49A,H49B), C51(H51A,H51B),
  C55(H55A,H55B), C57(H57A,H57B), C59(H59A,H59B), C75(H75A,H75B), C77(H77A,H77B)
2.c Aromatic/amide H refined with riding coordinates:
 C13(H13), C14(H14), C15(H15), C39(H39), C40(H40), C41(H41), C65(H65),
 C66(H66), C67(H67)
2.d Idealised Me refined as rotating group:
 C6(H6A,H6B,H6C), C8(H8A,H8B,H8C), C9(H9A,H9B,H9C), C10(H10A,H10B,H10C),
 C18(H18A,H18B,H18C), C19(H19A,H19B,H19C), C21(H21A,H21B,H21C), C22(H22A,H22B,
 H22C), C24(H24A,H24B,H24C), C26(H26A,H26B,H26C), C32(H32A,H32B,H32C), C34(H34A,
 H34B,H34C), C35(H35A,H35B,H35C), C36(H36A,H36B,H36C), C44(H44A,H44B,H44C),
 C45(H45A,H45B,H45C), C47(H47A,H47B,H47C), C48(H48A,H48B,H48C), C50(H50A,H50B,
 H50C), C52(H52A,H52B,H52C), C58(H58A,H58B,H58C), C60(H60A,H60B,H60C), C61(H61A,
 H61B,H61C), C62(H62A,H62B,H62C), C70(H70A,H70B,H70C), C71(H71A,H71B,H71C),
 C73(H73A,H73B,H73C), C74(H74A,H74B,H74C), C76(H76A,H76B,H76C), C78(H78A,H78B,
 H78C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Sb1 Sb -0.25657(2) 0.70752(2) -0.16434(2) 0.01359(4) Uani 1 1 d . . . . .
F1 F -0.30050(18) 0.70753(4) -0.25016(8) 0.0254(4) Uani 1 1 d . . . . .
F2 F -0.2619(2) 0.75294(4) -0.16431(10) 0.0406(5) Uani 1 1 d . . . . .
F3 F -0.43781(19) 0.70644(6) -0.15008(10) 0.0420(5) Uani 1 1 d . . . . .
F4 F -0.2531(2) 0.66194(4) -0.16606(9) 0.0389(5) Uani 1 1 d . . . . .
F5 F -0.07666(18) 0.70899(6) -0.17939(10) 0.0402(5) Uani 1 1 d . . . . .
F6 F -0.2148(2) 0.70727(4) -0.07881(8) 0.0298(4) Uani 1 1 d . . . . .
Sb2 Sb 0.24400(2) 0.62229(2) 0.16614(2) 0.01859(5) Uani 1 1 d . . . . .
F7 F 0.1790(2) 0.61966(5) 0.08339(8) 0.0308(4) Uani 1 1 d . . . . .
F8 F 0.3554(2) 0.58662(5) 0.15314(10) 0.0416(5) Uani 1 1 d . . . . .
F9 F 0.1087(2) 0.59442(6) 0.18847(11) 0.0521(6) Uani 1 1 d . . . . .
F10 F 0.1380(2) 0.65886(5) 0.17854(11) 0.0433(5) Uani 1 1 d . . . . .
F11 F 0.3777(2) 0.65035(5) 0.14096(10) 0.0361(5) Uani 1 1 d . . . . .
F12 F 0.3066(2) 0.62455(5) 0.24906(9) 0.0445(6) Uani 1 1 d . . . . .
Sb3 Sb 0.24277(2) 0.95758(2) 0.16163(2) 0.01545(4) Uani 1 1 d . . . . .
F13 F 0.2889(2) 0.95656(5) 0.24678(8) 0.0358(5) Uani 1 1 d . . . . .
F14 F 0.4182(2) 0.96791(6) 0.14602(10) 0.0460(6) Uani 1 1 d . . . . .
F15 F 0.2832(2) 0.91338(5) 0.15487(11) 0.0442(6) Uani 1 1 d . . . . .
F16 F 0.06789(19) 0.94709(6) 0.17747(10) 0.0398(5) Uani 1 1 d . . . . .
F17 F 0.2054(2) 1.00197(5) 0.16895(10) 0.0442(5) Uani 1 1 d . . . . .
F18 F 0.1966(2) 0.95933(5) 0.07643(8) 0.0310(4) Uani 1 1 d . . . . .
Ag1 Ag -0.34339(2) 0.59977(2) -0.13683(2) 0.01346(5) Uani 1 1 d . . . . .
O1 O -0.4349(2) 0.60411(5) -0.22969(9) 0.0180(4) Uani 1 1 d . . . . .
N1 N -0.1782(2) 0.56419(5) -0.04099(10) 0.0112(4) Uani 1 1 d . . . . .
C1 C -0.2577(2) 0.58876(6) -0.04974(11) 0.0103(5) Uani 1 1 d . . . . .
C2 C -0.2700(2) 0.60719(6) 0.01069(11) 0.0110(5) Uani 1 1 d . . . . .
C3 C -0.1557(3) 0.59293(6) 0.05293(12) 0.0142(5) Uani 1 1 d . . . . .
H3A H -0.078042 0.607692 0.054058 0.017 Uiso 1 1 calc R . . . .
H3B H -0.184480 0.590159 0.095810 0.017 Uiso 1 1 calc R . . . .
C4 C -0.1193(3) 0.55992(6) 0.02547(11) 0.0119(5) Uani 1 1 d . . . . .
C5 C -0.4067(3) 0.60027(7) 0.03749(13) 0.0157(5) Uani 1 1 d . . . . .
H5A H -0.411046 0.576788 0.047501 0.019 Uiso 1 1 calc R . . . .
H5B H -0.411197 0.612370 0.077036 0.019 Uiso 1 1 calc R . . . .
C6 C -0.5290(3) 0.60892(8) -0.00354(14) 0.0231(6) Uani 1 1 d . . . . .
H6A H -0.532043 0.595273 -0.040878 0.035 Uiso 1 1 calc GR . . . .
H6B H -0.524680 0.631880 -0.015586 0.035 Uiso 1 1 calc GR . . . .
H6C H -0.608889 0.605184 0.019400 0.035 Uiso 1 1 calc GR . . . .
C7 C -0.2506(3) 0.64358(6) -0.00193(13) 0.0161(5) Uani 1 1 d . . . . .
H7A H -0.166484 0.646520 -0.022933 0.019 Uiso 1 1 calc R . . . .
H7B H -0.323731 0.651164 -0.030786 0.019 Uiso 1 1 calc R . . . .
C8 C -0.2469(4) 0.66487(7) 0.05620(15) 0.0297(7) Uani 1 1 d . . . . .
H8A H -0.228498 0.687452 0.044787 0.045 Uiso 1 1 calc GR . . . .
H8B H -0.176914 0.657090 0.085817 0.045 Uiso 1 1 calc GR . . . .
H8C H -0.332774 0.663744 0.075299 0.045 Uiso 1 1 calc GR . . . .
C9 C 0.0296(3) 0.55437(7) 0.02660(13) 0.0167(5) Uani 1 1 d . . . . .
H9A H 0.072742 0.573319 0.008796 0.025 Uiso 1 1 calc GR . . . .
H9B H 0.048495 0.534960 0.002145 0.025 Uiso 1 1 calc GR . . . .
H9C H 0.063805 0.551237 0.069591 0.025 Uiso 1 1 calc GR . . . .
C10 C -0.1840(3) 0.53104(7) 0.05679(12) 0.0171(5) Uani 1 1 d . . . . .
H10A H -0.170863 0.511283 0.032399 0.026 Uiso 1 1 calc GR . . . .
H10B H -0.279213 0.535154 0.059344 0.026 Uiso 1 1 calc GR . . . .
H10C H -0.143285 0.528168 0.098729 0.026 Uiso 1 1 calc GR . . . .
C11 C -0.1483(2) 0.54212(6) -0.09102(11) 0.0100(5) Uani 1 1 d . . . . .
C12 C -0.2334(2) 0.51552(6) -0.10386(11) 0.0112(5) Uani 1 1 d . . . . .
C13 C -0.1993(3) 0.49378(6) -0.15047(12) 0.0142(5) Uani 1 1 d . . . . .
H13 H -0.253494 0.475243 -0.159118 0.017 Uiso 1 1 calc R . . . .
C14 C -0.0877(3) 0.49889(7) -0.18427(12) 0.0153(5) Uani 1 1 d . . . . .
H14 H -0.064995 0.483694 -0.215194 0.018 Uiso 1 1 calc R . . . .
C15 C -0.0093(3) 0.52622(6) -0.17280(12) 0.0140(5) Uani 1 1 d . . . . .
H15 H 0.065512 0.529859 -0.196903 0.017 Uiso 1 1 calc R . . . .
C16 C -0.0383(2) 0.54838(6) -0.12662(12) 0.0114(5) Uani 1 1 d . . . . .
C17 C -0.3635(2) 0.51068(6) -0.07242(12) 0.0137(5) Uani 1 1 d . . . . .
H17 H -0.364334 0.525840 -0.036144 0.016 Uiso 1 1 calc R . . . .
C18 C -0.4812(3) 0.51939(7) -0.11728(14) 0.0207(6) Uani 1 1 d . . . . .
H18A H -0.482039 0.504883 -0.153389 0.031 Uiso 1 1 calc GR . . . .
H18B H -0.472516 0.541986 -0.131024 0.031 Uiso 1 1 calc GR . . . .
H18C H -0.564146 0.516855 -0.096093 0.031 Uiso 1 1 calc GR . . . .
C19 C -0.3787(3) 0.47597(7) -0.04829(14) 0.0198(6) Uani 1 1 d . . . . .
H19A H -0.302368 0.470522 -0.020225 0.030 Uiso 1 1 calc GR . . . .
H19B H -0.383183 0.460771 -0.083371 0.030 Uiso 1 1 calc GR . . . .
H19C H -0.460403 0.474364 -0.025789 0.030 Uiso 1 1 calc GR . . . .
C20 C 0.0438(3) 0.57941(6) -0.12006(12) 0.0133(5) Uani 1 1 d . . . . .
H20 H 0.015805 0.591379 -0.082532 0.016 Uiso 1 1 calc R . . . .
C21 C 0.0160(3) 0.60134(7) -0.17710(13) 0.0188(6) Uani 1 1 d . . . . .
H21A H -0.078108 0.607387 -0.179911 0.028 Uiso 1 1 calc GR . . . .
H21B H 0.037822 0.589562 -0.214760 0.028 Uiso 1 1 calc GR . . . .
H21C H 0.070502 0.621036 -0.172981 0.028 Uiso 1 1 calc GR . . . .
C22 C 0.1926(3) 0.57220(7) -0.11124(14) 0.0193(6) Uani 1 1 d . . . . .
H22A H 0.224942 0.563420 -0.149923 0.029 Uiso 1 1 calc GR . . . .
H22B H 0.207625 0.556229 -0.077831 0.029 Uiso 1 1 calc GR . . . .
H22C H 0.240445 0.592324 -0.100311 0.029 Uiso 1 1 calc GR . . . .
C23 C -0.5118(3) 0.63281(7) -0.24517(14) 0.0213(6) Uani 1 1 d . . . . .
H23A H -0.565770 0.629226 -0.284260 0.026 Uiso 1 1 calc R . . . .
H23B H -0.451859 0.651490 -0.251298 0.026 Uiso 1 1 calc R . . . .
C24 C -0.6005(3) 0.63994(8) -0.19330(16) 0.0284(7) Uani 1 1 d . . . . .
H24A H -0.654815 0.659125 -0.203837 0.043 Uiso 1 1 calc GR . . . .
H24B H -0.546255 0.644161 -0.155076 0.043 Uiso 1 1 calc GR . . . .
H24C H -0.658377 0.621211 -0.187023 0.043 Uiso 1 1 calc GR . . . .
C25 C -0.3619(3) 0.59276(8) -0.28110(13) 0.0267(7) Uani 1 1 d . . . . .
H25A H -0.289731 0.608256 -0.289355 0.032 Uiso 1 1 calc R . . . .
H25B H -0.421567 0.591219 -0.318935 0.032 Uiso 1 1 calc R . . . .
C26 C -0.3044(4) 0.55988(8) -0.26524(15) 0.0307(7) Uani 1 1 d . . . . .
H26A H -0.252661 0.552167 -0.299550 0.046 Uiso 1 1 calc GR . . . .
H26B H -0.376444 0.544504 -0.258421 0.046 Uiso 1 1 calc GR . . . .
H26C H -0.246560 0.561519 -0.227384 0.046 Uiso 1 1 calc GR . . . .
Ag2 Ag 0.28527(2) 0.71812(2) 0.13920(2) 0.01432(5) Uani 1 1 d . . . . .
O2 O 0.35653(19) 0.71204(5) 0.23618(9) 0.0184(4) Uani 1 1 d . . . . .
N2 N 0.1590(2) 0.76243(5) 0.04201(9) 0.0089(4) Uani 1 1 d . . . . .
C27 C 0.2185(2) 0.73483(6) 0.05195(11) 0.0107(5) Uani 1 1 d . . . . .
C28 C 0.2279(3) 0.71642(6) -0.00855(11) 0.0113(5) Uani 1 1 d . . . . .
C29 C 0.1801(3) 0.74128(6) -0.05888(12) 0.0143(5) Uani 1 1 d . . . . .
H29A H 0.256234 0.749247 -0.081755 0.017 Uiso 1 1 calc R . . . .
H29B H 0.115440 0.730964 -0.088919 0.017 Uiso 1 1 calc R . . . .
C30 C 0.1144(3) 0.76972(6) -0.02545(12) 0.0120(5) Uani 1 1 d . . . . .
C31 C 0.3708(3) 0.70454(7) -0.01539(13) 0.0164(5) Uani 1 1 d . . . . .
H31A H 0.390971 0.687485 0.016162 0.020 Uiso 1 1 calc R . . . .
H31B H 0.376429 0.694376 -0.056810 0.020 Uiso 1 1 calc R . . . .
C32 C 0.4767(3) 0.73105(8) -0.00827(15) 0.0240(6) Uani 1 1 d . . . . .
H32A H 0.457593 0.748202 -0.039034 0.036 Uiso 1 1 calc GR . . . .
H32B H 0.564103 0.721622 -0.014809 0.036 Uiso 1 1 calc GR . . . .
H32C H 0.476329 0.740324 0.033608 0.036 Uiso 1 1 calc GR . . . .
C33 C 0.1317(3) 0.68722(6) -0.00509(13) 0.0174(5) Uani 1 1 d . . . . .
H33A H 0.155460 0.674622 0.033045 0.021 Uiso 1 1 calc R . . . .
H33B H 0.040501 0.695639 -0.001464 0.021 Uiso 1 1 calc R . . . .
C34 C 0.1324(3) 0.66437(7) -0.06073(15) 0.0250(6) Uani 1 1 d . . . . .
H34A H 0.112474 0.676729 -0.098965 0.037 Uiso 1 1 calc GR . . . .
H34B H 0.065127 0.647419 -0.056535 0.037 Uiso 1 1 calc GR . . . .
H34C H 0.220114 0.654251 -0.062477 0.037 Uiso 1 1 calc GR . . . .
C35 C -0.0368(3) 0.76918(7) -0.03275(13) 0.0169(5) Uani 1 1 d . . . . .
H35A H -0.069184 0.747518 -0.022014 0.025 Uiso 1 1 calc GR . . . .
H35B H -0.064959 0.774251 -0.075865 0.025 Uiso 1 1 calc GR . . . .
H35C H -0.073314 0.785407 -0.005044 0.025 Uiso 1 1 calc GR . . . .
C36 C 0.1633(3) 0.80287(7) -0.04582(13) 0.0184(6) Uani 1 1 d . . . . .
H36A H 0.133156 0.819635 -0.017447 0.028 Uiso 1 1 calc GR . . . .
H36B H 0.127709 0.807493 -0.088079 0.028 Uiso 1 1 calc GR . . . .
H36C H 0.260514 0.802847 -0.045048 0.028 Uiso 1 1 calc GR . . . .
C37 C 0.1275(2) 0.78435(6) 0.09250(11) 0.0099(5) Uani 1 1 d . . . . .
C38 C 0.0121(2) 0.77889(6) 0.12456(12) 0.0117(5) Uani 1 1 d . . . . .
C39 C -0.0176(3) 0.80096(7) 0.17079(12) 0.0145(5) Uani 1 1 d . . . . .
H39 H -0.095652 0.797922 0.192925 0.017 Uiso 1 1 calc R . . . .
C40 C 0.0643(3) 0.82732(6) 0.18527(12) 0.0149(5) Uani 1 1 d . . . . .
H40 H 0.040803 0.842535 0.216007 0.018 Uiso 1 1 calc R . . . .
C41 C 0.1807(3) 0.83133(6) 0.15464(12) 0.0138(5) Uani 1 1 d . . . . .
H41 H 0.237476 0.849116 0.165441 0.017 Uiso 1 1 calc R . . . .
C42 C 0.2160(2) 0.80981(6) 0.10832(12) 0.0113(5) Uani 1 1 d . . . . .
C43 C -0.0769(2) 0.74903(6) 0.11494(12) 0.0129(5) Uani 1 1 d . . . . .
H43 H -0.048277 0.736971 0.077644 0.015 Uiso 1 1 calc R . . . .
C44 C -0.2227(3) 0.75852(7) 0.10362(13) 0.0175(5) Uani 1 1 d . . . . .
H44A H -0.254979 0.768509 0.141259 0.026 Uiso 1 1 calc GR . . . .
H44B H -0.275316 0.739041 0.093154 0.026 Uiso 1 1 calc GR . . . .
H44C H -0.231320 0.774083 0.069198 0.026 Uiso 1 1 calc GR . . . .
C45 C -0.0600(3) 0.72644(7) 0.17155(13) 0.0178(6) Uani 1 1 d . . . . .
H45A H 0.033052 0.719726 0.177131 0.027 Uiso 1 1 calc GR . . . .
H45B H -0.116187 0.707162 0.164902 0.027 Uiso 1 1 calc GR . . . .
H45C H -0.086155 0.738007 0.208742 0.027 Uiso 1 1 calc GR . . . .
C46 C 0.3526(2) 0.81266(6) 0.08216(12) 0.0141(5) Uani 1 1 d . . . . .
H46 H 0.354656 0.798253 0.044835 0.017 Uiso 1 1 calc R . . . .
C47 C 0.3831(3) 0.84747(7) 0.06187(14) 0.0199(6) Uani 1 1 d . . . . .
H47A H 0.314363 0.854786 0.031200 0.030 Uiso 1 1 calc GR . . . .
H47B H 0.469750 0.847978 0.043347 0.030 Uiso 1 1 calc GR . . . .
H47C H 0.384781 0.861911 0.098084 0.030 Uiso 1 1 calc GR . . . .
C48 C 0.4583(3) 0.80054(7) 0.13038(14) 0.0215(6) Uani 1 1 d . . . . .
H48A H 0.452669 0.813102 0.168810 0.032 Uiso 1 1 calc GR . . . .
H48B H 0.546519 0.803318 0.114198 0.032 Uiso 1 1 calc GR . . . .
H48C H 0.443136 0.777458 0.138988 0.032 Uiso 1 1 calc GR . . . .
C49 C 0.2644(3) 0.72394(9) 0.28018(14) 0.0276(7) Uani 1 1 d . . . . .
H49A H 0.299614 0.718887 0.322834 0.033 Uiso 1 1 calc R . . . .
H49B H 0.178709 0.712440 0.273318 0.033 Uiso 1 1 calc R . . . .
C50 C 0.2409(4) 0.76029(9) 0.27466(15) 0.0372(9) Uani 1 1 d . . . . .
H50A H 0.219464 0.765921 0.231106 0.056 Uiso 1 1 calc GR . . . .
H50B H 0.321163 0.771968 0.289467 0.056 Uiso 1 1 calc GR . . . .
H50C H 0.166851 0.766488 0.299855 0.056 Uiso 1 1 calc GR . . . .
C51 C 0.4915(3) 0.72131(8) 0.25152(14) 0.0231(6) Uani 1 1 d . . . . .
H51A H 0.515669 0.715920 0.295435 0.028 Uiso 1 1 calc R . . . .
H51B H 0.502442 0.745054 0.245828 0.028 Uiso 1 1 calc R . . . .
C52 C 0.5797(3) 0.70304(9) 0.20926(15) 0.0290(7) Uani 1 1 d . . . . .
H52A H 0.556536 0.708923 0.165983 0.044 Uiso 1 1 calc GR . . . .
H52B H 0.567383 0.679582 0.214808 0.044 Uiso 1 1 calc GR . . . .
H52C H 0.672670 0.708724 0.219497 0.044 Uiso 1 1 calc GR . . . .
Ag3 Ag -0.31179(2) 0.93774(2) -0.13334(2) 0.01739(5) Uani 1 1 d . . . . .
O3 O -0.4023(2) 0.94092(5) -0.22653(9) 0.0254(5) Uani 1 1 d . . . . .
N3 N -0.1752(2) 0.89740(5) -0.03601(10) 0.0113(4) Uani 1 1 d . . . . .
C53 C -0.2391(2) 0.92431(6) -0.04559(12) 0.0114(5) Uani 1 1 d . . . . .
C54 C -0.2494(3) 0.94248(6) 0.01485(12) 0.0123(5) Uani 1 1 d . . . . .
C55 C -0.2019(3) 0.91761(6) 0.06494(12) 0.0147(5) Uani 1 1 d . . . . .
H55A H -0.140582 0.928132 0.096209 0.018 Uiso 1 1 calc R . . . .
H55B H -0.278566 0.908784 0.086351 0.018 Uiso 1 1 calc R . . . .
C56 C -0.1303(3) 0.89014(6) 0.03150(12) 0.0135(5) Uani 1 1 d . . . . .
C57 C -0.3921(3) 0.95482(7) 0.02149(13) 0.0185(6) Uani 1 1 d . . . . .
H57A H -0.397661 0.964930 0.062967 0.022 Uiso 1 1 calc R . . . .
H57B H -0.411159 0.971980 -0.009978 0.022 Uiso 1 1 calc R . . . .
C58 C -0.4985(3) 0.92872(8) 0.01398(15) 0.0268(7) Uani 1 1 d . . . . .
H58A H -0.493479 0.918319 -0.026745 0.040 Uiso 1 1 calc GR . . . .
H58B H -0.586224 0.938659 0.017118 0.040 Uiso 1 1 calc GR . . . .
H58C H -0.484491 0.912341 0.046720 0.040 Uiso 1 1 calc GR . . . .
C59 C -0.1524(3) 0.97175(7) 0.01180(13) 0.0178(5) Uani 1 1 d . . . . .
H59A H -0.060923 0.963259 0.009435 0.021 Uiso 1 1 calc R . . . .
H59B H -0.174043 0.984096 -0.026846 0.021 Uiso 1 1 calc R . . . .
C60 C -0.1558(3) 0.99499(7) 0.06678(15) 0.0268(7) Uani 1 1 d . . . . .
H60A H -0.086764 1.011593 0.063406 0.040 Uiso 1 1 calc GR . . . .
H60B H -0.139798 0.982810 0.105539 0.040 Uiso 1 1 calc GR . . . .
H60C H -0.242919 1.005527 0.066754 0.040 Uiso 1 1 calc GR . . . .
C61 C 0.0205(3) 0.89192(7) 0.03982(13) 0.0184(6) Uani 1 1 d . . . . .
H61A H 0.050144 0.913970 0.030113 0.028 Uiso 1 1 calc GR . . . .
H61B H 0.060133 0.876340 0.011792 0.028 Uiso 1 1 calc GR . . . .
H61C H 0.048138 0.886609 0.082894 0.028 Uiso 1 1 calc GR . . . .
C62 C -0.1763(3) 0.85646(7) 0.05062(13) 0.0190(6) Uani 1 1 d . . . . .
H62A H -0.140451 0.840060 0.023057 0.029 Uiso 1 1 calc GR . . . .
H62B H -0.273483 0.855574 0.047558 0.029 Uiso 1 1 calc GR . . . .
H62C H -0.144504 0.852075 0.093555 0.029 Uiso 1 1 calc GR . . . .
C63 C -0.1413(2) 0.87602(6) -0.08711(11) 0.0114(5) Uani 1 1 d . . . . .
C64 C -0.0257(3) 0.88248(6) -0.11890(12) 0.0126(5) Uani 1 1 d . . . . .
C65 C 0.0060(3) 0.86120(7) -0.16634(12) 0.0152(5) Uani 1 1 d . . . . .
H65 H 0.084551 0.864677 -0.187853 0.018 Uiso 1 1 calc R . . . .
C66 C -0.0756(3) 0.83505(7) -0.18257(12) 0.0166(5) Uani 1 1 d . . . . .
H66 H -0.051289 0.820450 -0.214217 0.020 Uiso 1 1 calc R . . . .
C67 C -0.1920(3) 0.83015(6) -0.15286(12) 0.0142(5) Uani 1 1 d . . . . .
H67 H -0.248212 0.812485 -0.165157 0.017 Uiso 1 1 calc R . . . .
C68 C -0.2285(3) 0.85070(6) -0.10507(12) 0.0129(5) Uani 1 1 d . . . . .
C69 C 0.0599(3) 0.91284(6) -0.10792(12) 0.0151(5) Uani 1 1 d . . . . .
H69 H 0.028986 0.924442 -0.070543 0.018 Uiso 1 1 calc R . . . .
C70 C 0.0419(3) 0.93561(7) -0.16410(13) 0.0186(6) Uani 1 1 d . . . . .
H70A H -0.051294 0.942240 -0.169347 0.028 Uiso 1 1 calc GR . . . .
H70B H 0.067809 0.924223 -0.201539 0.028 Uiso 1 1 calc GR . . . .
H70C H 0.097827 0.954926 -0.157328 0.028 Uiso 1 1 calc GR . . . .
C71 C 0.2069(3) 0.90430(8) -0.09620(14) 0.0231(6) Uani 1 1 d . . . . .
H71A H 0.240931 0.894743 -0.133871 0.035 Uiso 1 1 calc GR . . . .
H71B H 0.216735 0.888605 -0.062028 0.035 Uiso 1 1 calc GR . . . .
H71C H 0.257117 0.924073 -0.085214 0.035 Uiso 1 1 calc GR . . . .
C72 C -0.3653(3) 0.84651(7) -0.07943(12) 0.0145(5) Uani 1 1 d . . . . .
H72 H -0.371590 0.861408 -0.043026 0.017 Uiso 1 1 calc R . . . .
C73 C -0.4731(3) 0.85633(8) -0.12892(14) 0.0225(6) Uani 1 1 d . . . . .
H73A H -0.467439 0.842271 -0.165409 0.034 Uiso 1 1 calc GR . . . .
H73B H -0.459811 0.879043 -0.141020 0.034 Uiso 1 1 calc GR . . . .
H73C H -0.560732 0.853951 -0.111893 0.034 Uiso 1 1 calc GR . . . .
C74 C -0.3892(3) 0.81166(7) -0.05742(14) 0.0200(6) Uani 1 1 d . . . . .
H74A H -0.321304 0.805800 -0.025186 0.030 Uiso 1 1 calc GR . . . .
H74B H -0.384511 0.796662 -0.092591 0.030 Uiso 1 1 calc GR . . . .
H74C H -0.477240 0.810214 -0.040409 0.030 Uiso 1 1 calc GR . . . .
C75 C -0.3196(4) 0.93383(10) -0.27729(15) 0.0386(9) Uani 1 1 d . . . . .
H75A H -0.248511 0.950340 -0.279189 0.046 Uiso 1 1 calc R . . . .
H75B H -0.373241 0.934271 -0.317098 0.046 Uiso 1 1 calc R . . . .
C76 C -0.2601(4) 0.90069(10) -0.26685(16) 0.0447(10) Uani 1 1 d . . . . .
H76A H -0.196687 0.896289 -0.298734 0.067 Uiso 1 1 calc GR . . . .
H76B H -0.330593 0.884261 -0.269328 0.067 Uiso 1 1 calc GR . . . .
H76C H -0.214125 0.899879 -0.225685 0.067 Uiso 1 1 calc GR . . . .
C77 C -0.4988(3) 0.96575(8) -0.23944(15) 0.0289(7) Uani 1 1 d . . . . .
H77A H -0.549554 0.960918 -0.278911 0.035 Uiso 1 1 calc R . . . .
H77B H -0.454118 0.987027 -0.243727 0.035 Uiso 1 1 calc R . . . .
C78 C -0.5901(3) 0.96709(9) -0.18756(19) 0.0392(9) Uani 1 1 d . . . . .
H78A H -0.658060 0.983718 -0.196467 0.059 Uiso 1 1 calc GR . . . .
H78B H -0.539590 0.972569 -0.148889 0.059 Uiso 1 1 calc GR . . . .
H78C H -0.632778 0.945850 -0.183134 0.059 Uiso 1 1 calc GR . . . .


_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 1.8793(17) . ?
Sb1 F2 1.8667(18) . ?
Sb1 F3 1.8705(19) . ?
Sb1 F4 1.8738(19) . ?
Sb1 F5 1.8615(19) . ?
Sb1 F6 1.8695(17) . ?
Sb2 F7 1.8711(18) . ?
Sb2 F8 1.8770(19) . ?
Sb2 F9 1.864(2) . ?
Sb2 F10 1.871(2) . ?
Sb2 F11 1.8761(19) . ?
Sb2 F12 1.866(2) . ?
Sb3 F13 1.8703(18) . ?
Sb3 F14 1.8674(19) . ?
Sb3 F15 1.8689(19) . ?
Sb3 F16 1.8652(19) . ?
Sb3 F17 1.8706(19) . ?
Sb3 F18 1.8721(18) . ?
Ag1 O1 2.1670(18) . ?
Ag1 C1 2.075(2) . ?
O1 C23 1.441(3) . ?
O1 C25 1.440(4) . ?
N1 C1 1.297(3) . ?
N1 C4 1.531(3) . ?
N1 C11 1.453(3) . ?
C1 C2 1.517(3) . ?
C2 C3 1.546(3) . ?
C2 C5 1.549(3) . ?
C2 C7 1.534(3) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C3 C4 1.532(3) . ?
C4 C9 1.519(3) . ?
C4 C10 1.528(4) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C5 C6 1.522(4) . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C7 C8 1.527(4) . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 C12 1.409(3) . ?
C11 C16 1.406(3) . ?
C12 C13 1.400(4) . ?
C12 C17 1.522(3) . ?
C13 H13 0.9500 . ?
C13 C14 1.389(4) . ?
C14 H14 0.9500 . ?
C14 C15 1.388(4) . ?
C15 H15 0.9500 . ?
C15 C16 1.392(4) . ?
C16 C20 1.523(3) . ?
C17 H17 1.0000 . ?
C17 C18 1.533(4) . ?
C17 C19 1.529(4) . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20 1.0000 . ?
C20 C21 1.538(4) . ?
C20 C22 1.532(4) . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C23 C24 1.498(4) . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C25 C26 1.503(4) . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
Ag2 O2 2.1889(19) . ?
Ag2 C27 2.081(2) . ?
O2 C49 1.447(3) . ?
O2 C51 1.436(3) . ?
N2 C27 1.296(3) . ?
N2 C30 1.529(3) . ?
N2 C37 1.461(3) . ?
C27 C28 1.515(3) . ?
C28 C29 1.548(3) . ?
C28 C31 1.537(4) . ?
C28 C33 1.548(4) . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C29 C30 1.541(4) . ?
C30 C35 1.526(4) . ?
C30 C36 1.521(4) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C31 C32 1.528(4) . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
C33 C34 1.523(4) . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 C38 1.403(3) . ?
C37 C42 1.405(3) . ?
C38 C39 1.392(4) . ?
C38 C43 1.528(3) . ?
C39 H39 0.9500 . ?
C39 C40 1.388(4) . ?
C40 H40 0.9500 . ?
C40 C41 1.386(4) . ?
C41 H41 0.9500 . ?
C41 C42 1.394(4) . ?
C42 C46 1.521(3) . ?
C43 H43 1.0000 . ?
C43 C44 1.529(3) . ?
C43 C45 1.536(4) . ?
C44 H44A 0.9800 . ?
C44 H44B 0.9800 . ?
C44 H44C 0.9800 . ?
C45 H45A 0.9800 . ?
C45 H45B 0.9800 . ?
C45 H45C 0.9800 . ?
C46 H46 1.0000 . ?
C46 C47 1.532(4) . ?
C46 C48 1.532(4) . ?
C47 H47A 0.9800 . ?
C47 H47B 0.9800 . ?
C47 H47C 0.9800 . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?
C49 H49A 0.9900 . ?
C49 H49B 0.9900 . ?
C49 C50 1.516(5) . ?
C50 H50A 0.9800 . ?
C50 H50B 0.9800 . ?
C50 H50C 0.9800 . ?
C51 H51A 0.9900 . ?
C51 H51B 0.9900 . ?
C51 C52 1.507(4) . ?
C52 H52A 0.9800 . ?
C52 H52B 0.9800 . ?
C52 H52C 0.9800 . ?
Ag3 O3 2.166(2) . ?
Ag3 C53 2.067(3) . ?
O3 C75 1.440(4) . ?
O3 C77 1.427(4) . ?
N3 C53 1.291(3) . ?
N3 C56 1.530(3) . ?
N3 C63 1.463(3) . ?
C53 C54 1.510(3) . ?
C54 C55 1.544(4) . ?
C54 C57 1.540(4) . ?
C54 C59 1.555(4) . ?
C55 H55A 0.9900 . ?
C55 H55B 0.9900 . ?
C55 C56 1.540(4) . ?
C56 C61 1.524(4) . ?
C56 C62 1.523(4) . ?
C57 H57A 0.9900 . ?
C57 H57B 0.9900 . ?
C57 C58 1.520(4) . ?
C58 H58A 0.9800 . ?
C58 H58B 0.9800 . ?
C58 H58C 0.9800 . ?
C59 H59A 0.9900 . ?
C59 H59B 0.9900 . ?
C59 C60 1.524(4) . ?
C60 H60A 0.9800 . ?
C60 H60B 0.9800 . ?
C60 H60C 0.9800 . ?
C61 H61A 0.9800 . ?
C61 H61B 0.9800 . ?
C61 H61C 0.9800 . ?
C62 H62A 0.9800 . ?
C62 H62B 0.9800 . ?
C62 H62C 0.9800 . ?
C63 C64 1.409(4) . ?
C63 C68 1.404(4) . ?
C64 C65 1.395(4) . ?
C64 C69 1.528(4) . ?
C65 H65 0.9500 . ?
C65 C66 1.387(4) . ?
C66 H66 0.9500 . ?
C66 C67 1.382(4) . ?
C67 H67 0.9500 . ?
C67 C68 1.396(4) . ?
C68 C72 1.523(3) . ?
C69 H69 1.0000 . ?
C69 C70 1.534(4) . ?
C69 C71 1.532(4) . ?
C70 H70A 0.9800 . ?
C70 H70B 0.9800 . ?
C70 H70C 0.9800 . ?
C71 H71A 0.9800 . ?
C71 H71B 0.9800 . ?
C71 H71C 0.9800 . ?
C72 H72 1.0000 . ?
C72 C73 1.537(4) . ?
C72 C74 1.532(4) . ?
C73 H73A 0.9800 . ?
C73 H73B 0.9800 . ?
C73 H73C 0.9800 . ?
C74 H74A 0.9800 . ?
C74 H74B 0.9800 . ?
C74 H74C 0.9800 . ?
C75 H75A 0.9900 . ?
C75 H75B 0.9900 . ?
C75 C76 1.500(5) . ?
C76 H76A 0.9800 . ?
C76 H76B 0.9800 . ?
C76 H76C 0.9800 . ?
C77 H77A 0.9900 . ?
C77 H77B 0.9900 . ?
C77 C78 1.487(5) . ?
C78 H78A 0.9800 . ?
C78 H78B 0.9800 . ?
C78 H78C 0.9800 . ?

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
F2 Sb1 F1 89.71(9) . . ?
F2 Sb1 F3 89.72(11) . . ?
F2 Sb1 F4 178.77(9) . . ?
F2 Sb1 F6 90.59(9) . . ?
F3 Sb1 F1 88.85(9) . . ?
F3 Sb1 F4 89.93(10) . . ?
F4 Sb1 F1 89.10(8) . . ?
F5 Sb1 F1 90.58(8) . . ?
F5 Sb1 F2 89.79(10) . . ?
F5 Sb1 F3 179.24(11) . . ?
F5 Sb1 F4 90.55(10) . . ?
F5 Sb1 F6 90.04(9) . . ?
F6 Sb1 F1 179.32(8) . . ?
F6 Sb1 F3 90.54(9) . . ?
F6 Sb1 F4 90.59(8) . . ?
F7 Sb2 F8 89.73(9) . . ?
F7 Sb2 F10 90.48(10) . . ?
F7 Sb2 F11 88.92(9) . . ?
F9 Sb2 F7 89.19(10) . . ?
F9 Sb2 F8 90.62(11) . . ?
F9 Sb2 F10 91.44(11) . . ?
F9 Sb2 F11 178.10(10) . . ?
F9 Sb2 F12 89.94(11) . . ?
F10 Sb2 F8 177.93(10) . . ?
F10 Sb2 F11 88.43(10) . . ?
F11 Sb2 F8 89.52(10) . . ?
F12 Sb2 F7 179.12(10) . . ?
F12 Sb2 F8 90.38(10) . . ?
F12 Sb2 F10 89.44(10) . . ?
F12 Sb2 F11 91.96(10) . . ?
F13 Sb3 F17 88.85(10) . . ?
F13 Sb3 F18 179.08(9) . . ?
F14 Sb3 F13 89.57(9) . . ?
F14 Sb3 F15 89.65(11) . . ?
F14 Sb3 F17 89.46(11) . . ?
F14 Sb3 F18 90.21(9) . . ?
F15 Sb3 F13 90.61(10) . . ?
F15 Sb3 F17 178.97(11) . . ?
F15 Sb3 F18 90.27(9) . . ?
F16 Sb3 F13 90.24(9) . . ?
F16 Sb3 F14 179.70(12) . . ?
F16 Sb3 F15 90.12(11) . . ?
F16 Sb3 F17 90.76(11) . . ?
F16 Sb3 F18 89.99(9) . . ?
F17 Sb3 F18 90.26(9) . . ?
C1 Ag1 O1 172.12(9) . . ?
C23 O1 Ag1 118.63(16) . . ?
C25 O1 Ag1 118.28(17) . . ?
C25 O1 C23 112.2(2) . . ?
C1 N1 C4 115.6(2) . . ?
C1 N1 C11 121.9(2) . . ?
C11 N1 C4 122.5(2) . . ?
N1 C1 Ag1 121.76(18) . . ?
N1 C1 C2 110.0(2) . . ?
C2 C1 Ag1 128.23(17) . . ?
C1 C2 C3 103.0(2) . . ?
C1 C2 C5 110.0(2) . . ?
C1 C2 C7 108.5(2) . . ?
C3 C2 C5 111.2(2) . . ?
C7 C2 C3 112.1(2) . . ?
C7 C2 C5 111.7(2) . . ?
C2 C3 H3A 110.3 . . ?
C2 C3 H3B 110.3 . . ?
H3A C3 H3B 108.5 . . ?
C4 C3 C2 107.1(2) . . ?
C4 C3 H3A 110.3 . . ?
C4 C3 H3B 110.3 . . ?
N1 C4 C3 99.84(19) . . ?
C9 C4 N1 111.5(2) . . ?
C9 C4 C3 112.5(2) . . ?
C9 C4 C10 108.7(2) . . ?
C10 C4 N1 110.4(2) . . ?
C10 C4 C3 113.6(2) . . ?
C2 C5 H5A 108.1 . . ?
C2 C5 H5B 108.1 . . ?
H5A C5 H5B 107.3 . . ?
C6 C5 C2 116.8(2) . . ?
C6 C5 H5A 108.1 . . ?
C6 C5 H5B 108.1 . . ?
C5 C6 H6A 109.5 . . ?
C5 C6 H6B 109.5 . . ?
C5 C6 H6C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C2 C7 H7A 108.7 . . ?
C2 C7 H7B 108.7 . . ?
H7A C7 H7B 107.6 . . ?
C8 C7 C2 114.3(2) . . ?
C8 C7 H7A 108.7 . . ?
C8 C7 H7B 108.7 . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C4 C9 H9A 109.5 . . ?
C4 C9 H9B 109.5 . . ?
C4 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C4 C10 H10A 109.5 . . ?
C4 C10 H10B 109.5 . . ?
C4 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C12 C11 N1 118.8(2) . . ?
C16 C11 N1 119.5(2) . . ?
C16 C11 C12 121.7(2) . . ?
C11 C12 C17 123.0(2) . . ?
C13 C12 C11 117.8(2) . . ?
C13 C12 C17 119.1(2) . . ?
C12 C13 H13 119.5 . . ?
C14 C13 C12 121.1(2) . . ?
C14 C13 H13 119.5 . . ?
C13 C14 H14 120.0 . . ?
C15 C14 C13 119.9(2) . . ?
C15 C14 H14 120.0 . . ?
C14 C15 H15 119.4 . . ?
C14 C15 C16 121.2(2) . . ?
C16 C15 H15 119.4 . . ?
C11 C16 C20 122.9(2) . . ?
C15 C16 C11 118.2(2) . . ?
C15 C16 C20 118.7(2) . . ?
C12 C17 H17 108.0 . . ?
C12 C17 C18 110.3(2) . . ?
C12 C17 C19 112.2(2) . . ?
C18 C17 H17 108.0 . . ?
C19 C17 H17 108.0 . . ?
C19 C17 C18 110.1(2) . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C17 C19 H19A 109.5 . . ?
C17 C19 H19B 109.5 . . ?
C17 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C16 C20 H20 108.1 . . ?
C16 C20 C21 109.9(2) . . ?
C16 C20 C22 112.0(2) . . ?
C21 C20 H20 108.1 . . ?
C22 C20 H20 108.1 . . ?
C22 C20 C21 110.4(2) . . ?
C20 C21 H21A 109.5 . . ?
C20 C21 H21B 109.5 . . ?
C20 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C20 C22 H22A 109.5 . . ?
C20 C22 H22B 109.5 . . ?
C20 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
O1 C23 H23A 109.9 . . ?
O1 C23 H23B 109.9 . . ?
O1 C23 C24 108.8(2) . . ?
H23A C23 H23B 108.3 . . ?
C24 C23 H23A 109.9 . . ?
C24 C23 H23B 109.9 . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
O1 C25 H25A 109.9 . . ?
O1 C25 H25B 109.9 . . ?
O1 C25 C26 108.8(2) . . ?
H25A C25 H25B 108.3 . . ?
C26 C25 H25A 109.9 . . ?
C26 C25 H25B 109.9 . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C27 Ag2 O2 167.27(9) . . ?
C49 O2 Ag2 113.41(16) . . ?
C51 O2 Ag2 116.70(16) . . ?
C51 O2 C49 113.2(2) . . ?
C27 N2 C30 116.0(2) . . ?
C27 N2 C37 122.3(2) . . ?
C37 N2 C30 121.55(19) . . ?
N2 C27 Ag2 124.29(18) . . ?
N2 C27 C28 110.1(2) . . ?
C28 C27 Ag2 125.55(18) . . ?
C27 C28 C29 104.0(2) . . ?
C27 C28 C31 110.0(2) . . ?
C27 C28 C33 106.1(2) . . ?
C31 C28 C29 113.7(2) . . ?
C31 C28 C33 110.6(2) . . ?
C33 C28 C29 111.9(2) . . ?
C28 C29 H29A 110.2 . . ?
C28 C29 H29B 110.2 . . ?
H29A C29 H29B 108.5 . . ?
C30 C29 C28 107.4(2) . . ?
C30 C29 H29A 110.2 . . ?
C30 C29 H29B 110.2 . . ?
N2 C30 C29 100.60(19) . . ?
C35 C30 N2 109.7(2) . . ?
C35 C30 C29 113.1(2) . . ?
C36 C30 N2 111.5(2) . . ?
C36 C30 C29 113.0(2) . . ?
C36 C30 C35 108.7(2) . . ?
C28 C31 H31A 108.6 . . ?
C28 C31 H31B 108.6 . . ?
H31A C31 H31B 107.6 . . ?
C32 C31 C28 114.7(2) . . ?
C32 C31 H31A 108.6 . . ?
C32 C31 H31B 108.6 . . ?
C31 C32 H32A 109.5 . . ?
C31 C32 H32B 109.5 . . ?
C31 C32 H32C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C28 C33 H33A 108.7 . . ?
C28 C33 H33B 108.7 . . ?
H33A C33 H33B 107.6 . . ?
C34 C33 C28 114.3(2) . . ?
C34 C33 H33A 108.7 . . ?
C34 C33 H33B 108.7 . . ?
C33 C34 H34A 109.5 . . ?
C33 C34 H34B 109.5 . . ?
C33 C34 H34C 109.5 . . ?
H34A C34 H34B 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C30 C35 H35A 109.5 . . ?
C30 C35 H35B 109.5 . . ?
C30 C35 H35C 109.5 . . ?
H35A C35 H35B 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C30 C36 H36A 109.5 . . ?
C30 C36 H36B 109.5 . . ?
C30 C36 H36C 109.5 . . ?
H36A C36 H36B 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C38 C37 N2 119.1(2) . . ?
C38 C37 C42 122.2(2) . . ?
C42 C37 N2 118.7(2) . . ?
C37 C38 C43 124.0(2) . . ?
C39 C38 C37 117.6(2) . . ?
C39 C38 C43 118.2(2) . . ?
C38 C39 H39 119.3 . . ?
C40 C39 C38 121.4(2) . . ?
C40 C39 H39 119.3 . . ?
C39 C40 H40 120.2 . . ?
C41 C40 C39 119.7(2) . . ?
C41 C40 H40 120.2 . . ?
C40 C41 H41 119.3 . . ?
C40 C41 C42 121.3(2) . . ?
C42 C41 H41 119.3 . . ?
C37 C42 C46 122.9(2) . . ?
C41 C42 C37 117.6(2) . . ?
C41 C42 C46 119.2(2) . . ?
C38 C43 H43 108.3 . . ?
C38 C43 C44 111.8(2) . . ?
C38 C43 C45 109.7(2) . . ?
C44 C43 H43 108.3 . . ?
C44 C43 C45 110.3(2) . . ?
C45 C43 H43 108.3 . . ?
C43 C44 H44A 109.5 . . ?
C43 C44 H44B 109.5 . . ?
C43 C44 H44C 109.5 . . ?
H44A C44 H44B 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
C43 C45 H45A 109.5 . . ?
C43 C45 H45B 109.5 . . ?
C43 C45 H45C 109.5 . . ?
H45A C45 H45B 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
C42 C46 H46 108.1 . . ?
C42 C46 C47 112.2(2) . . ?
C42 C46 C48 109.6(2) . . ?
C47 C46 H46 108.1 . . ?
C47 C46 C48 110.7(2) . . ?
C48 C46 H46 108.1 . . ?
C46 C47 H47A 109.5 . . ?
C46 C47 H47B 109.5 . . ?
C46 C47 H47C 109.5 . . ?
H47A C47 H47B 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C46 C48 H48A 109.5 . . ?
C46 C48 H48B 109.5 . . ?
C46 C48 H48C 109.5 . . ?
H48A C48 H48B 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
O2 C49 H49A 109.1 . . ?
O2 C49 H49B 109.1 . . ?
O2 C49 C50 112.6(3) . . ?
H49A C49 H49B 107.8 . . ?
C50 C49 H49A 109.1 . . ?
C50 C49 H49B 109.1 . . ?
C49 C50 H50A 109.5 . . ?
C49 C50 H50B 109.5 . . ?
C49 C50 H50C 109.5 . . ?
H50A C50 H50B 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
O2 C51 H51A 110.1 . . ?
O2 C51 H51B 110.1 . . ?
O2 C51 C52 108.2(2) . . ?
H51A C51 H51B 108.4 . . ?
C52 C51 H51A 110.1 . . ?
C52 C51 H51B 110.1 . . ?
C51 C52 H52A 109.5 . . ?
C51 C52 H52B 109.5 . . ?
C51 C52 H52C 109.5 . . ?
H52A C52 H52B 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
C53 Ag3 O3 167.53(9) . . ?
C75 O3 Ag3 117.34(19) . . ?
C77 O3 Ag3 118.28(19) . . ?
C77 O3 C75 114.4(2) . . ?
C53 N3 C56 116.0(2) . . ?
C53 N3 C63 121.9(2) . . ?
C63 N3 C56 122.0(2) . . ?
N3 C53 Ag3 121.67(19) . . ?
N3 C53 C54 110.0(2) . . ?
C54 C53 Ag3 128.32(18) . . ?
C53 C54 C55 104.1(2) . . ?
C53 C54 C57 110.5(2) . . ?
C53 C54 C59 105.9(2) . . ?
C55 C54 C59 111.6(2) . . ?
C57 C54 C55 114.2(2) . . ?
C57 C54 C59 110.1(2) . . ?
C54 C55 H55A 110.3 . . ?
C54 C55 H55B 110.3 . . ?
H55A C55 H55B 108.6 . . ?
C56 C55 C54 107.1(2) . . ?
C56 C55 H55A 110.3 . . ?
C56 C55 H55B 110.3 . . ?
N3 C56 C55 100.4(2) . . ?
C61 C56 N3 110.2(2) . . ?
C61 C56 C55 113.6(2) . . ?
C62 C56 N3 110.8(2) . . ?
C62 C56 C55 112.5(2) . . ?
C62 C56 C61 109.2(2) . . ?
C54 C57 H57A 108.6 . . ?
C54 C57 H57B 108.6 . . ?
H57A C57 H57B 107.6 . . ?
C58 C57 C54 114.6(2) . . ?
C58 C57 H57A 108.6 . . ?
C58 C57 H57B 108.6 . . ?
C57 C58 H58A 109.5 . . ?
C57 C58 H58B 109.5 . . ?
C57 C58 H58C 109.5 . . ?
H58A C58 H58B 109.5 . . ?
H58A C58 H58C 109.5 . . ?
H58B C58 H58C 109.5 . . ?
C54 C59 H59A 108.7 . . ?
C54 C59 H59B 108.7 . . ?
H59A C59 H59B 107.6 . . ?
C60 C59 C54 114.3(2) . . ?
C60 C59 H59A 108.7 . . ?
C60 C59 H59B 108.7 . . ?
C59 C60 H60A 109.5 . . ?
C59 C60 H60B 109.5 . . ?
C59 C60 H60C 109.5 . . ?
H60A C60 H60B 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 109.5 . . ?
C56 C61 H61A 109.5 . . ?
C56 C61 H61B 109.5 . . ?
C56 C61 H61C 109.5 . . ?
H61A C61 H61B 109.5 . . ?
H61A C61 H61C 109.5 . . ?
H61B C61 H61C 109.5 . . ?
C56 C62 H62A 109.5 . . ?
C56 C62 H62B 109.5 . . ?
C56 C62 H62C 109.5 . . ?
H62A C62 H62B 109.5 . . ?
H62A C62 H62C 109.5 . . ?
H62B C62 H62C 109.5 . . ?
C64 C63 N3 119.0(2) . . ?
C68 C63 N3 119.0(2) . . ?
C68 C63 C64 121.9(2) . . ?
C63 C64 C69 123.6(2) . . ?
C65 C64 C63 117.8(2) . . ?
C65 C64 C69 118.4(2) . . ?
C64 C65 H65 119.5 . . ?
C66 C65 C64 121.0(2) . . ?
C66 C65 H65 119.5 . . ?
C65 C66 H66 119.9 . . ?
C67 C66 C65 120.2(2) . . ?
C67 C66 H66 119.9 . . ?
C66 C67 H67 119.4 . . ?
C66 C67 C68 121.2(2) . . ?
C68 C67 H67 119.4 . . ?
C63 C68 C72 123.4(2) . . ?
C67 C68 C63 117.8(2) . . ?
C67 C68 C72 118.6(2) . . ?
C64 C69 H69 108.4 . . ?
C64 C69 C70 109.5(2) . . ?
C64 C69 C71 111.9(2) . . ?
C70 C69 H69 108.4 . . ?
C71 C69 H69 108.4 . . ?
C71 C69 C70 110.1(2) . . ?
C69 C70 H70A 109.5 . . ?
C69 C70 H70B 109.5 . . ?
C69 C70 H70C 109.5 . . ?
H70A C70 H70B 109.5 . . ?
H70A C70 H70C 109.5 . . ?
H70B C70 H70C 109.5 . . ?
C69 C71 H71A 109.5 . . ?
C69 C71 H71B 109.5 . . ?
C69 C71 H71C 109.5 . . ?
H71A C71 H71B 109.5 . . ?
H71A C71 H71C 109.5 . . ?
H71B C71 H71C 109.5 . . ?
C68 C72 H72 108.2 . . ?
C68 C72 C73 109.9(2) . . ?
C68 C72 C74 112.3(2) . . ?
C73 C72 H72 108.2 . . ?
C74 C72 H72 108.2 . . ?
C74 C72 C73 110.1(2) . . ?
C72 C73 H73A 109.5 . . ?
C72 C73 H73B 109.5 . . ?
C72 C73 H73C 109.5 . . ?
H73A C73 H73B 109.5 . . ?
H73A C73 H73C 109.5 . . ?
H73B C73 H73C 109.5 . . ?
C72 C74 H74A 109.5 . . ?
C72 C74 H74B 109.5 . . ?
C72 C74 H74C 109.5 . . ?
H74A C74 H74B 109.5 . . ?
H74A C74 H74C 109.5 . . ?
H74B C74 H74C 109.5 . . ?
O3 C75 H75A 110.0 . . ?
O3 C75 H75B 110.0 . . ?
O3 C75 C76 108.3(3) . . ?
H75A C75 H75B 108.4 . . ?
C76 C75 H75A 110.0 . . ?
C76 C75 H75B 110.0 . . ?
C75 C76 H76A 109.5 . . ?
C75 C76 H76B 109.5 . . ?
C75 C76 H76C 109.5 . . ?
H76A C76 H76B 109.5 . . ?
H76A C76 H76C 109.5 . . ?
H76B C76 H76C 109.5 . . ?
O3 C77 H77A 109.9 . . ?
O3 C77 H77B 109.9 . . ?
O3 C77 C78 108.8(3) . . ?
H77A C77 H77B 108.3 . . ?
C78 C77 H77A 109.9 . . ?
C78 C77 H77B 109.9 . . ?
C77 C78 H78A 109.5 . . ?
C77 C78 H78B 109.5 . . ?
C77 C78 H78C 109.5 . . ?
H78A C78 H78B 109.5 . . ?
H78A C78 H78C 109.5 . . ?
H78B C78 H78C 109.5 . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_rad729_0m_a
_database_code_depnum_ccdc_archive 'CCDC 2016684'
loop_
_audit_author_name
_audit_author_address
'Rasika Dias'
;The University of Texas at Arlington
United States of America
;
_audit_update_record             
;
2020-07-15 deposited with the CCDC.	2021-01-05 downloaded from the CCDC.
;
_audit_creation_date             2019-11-26
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C26 H45 Au N O, F6 Sb'
_chemical_formula_sum            'C26 H45 Au F6 N O Sb'
_chemical_formula_weight         820.34
_chemical_melting_point          ?
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'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.5866 1.5461 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   11.5000(7)
_cell_length_b                   17.3023(10)
_cell_length_c                   14.9126(9)
_cell_angle_alpha                90
_cell_angle_beta                 96.383(2)
_cell_angle_gamma                90
_cell_volume                     2948.9(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9485
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      33.25
_cell_measurement_theta_min      2.99
_shelx_estimated_absorpt_T_max   0.383
_shelx_estimated_absorpt_T_min   0.260
_exptl_absorpt_coefficient_mu    5.942
_exptl_absorpt_correction_T_max  0.3399
_exptl_absorpt_correction_T_min  0.2379
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.1005 before and 0.0596 after correction. The Ratio of minimum to maximum transmission is 0.6999. The λ/2 correction factor is Not present.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.848
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1600
_exptl_crystal_size_max          0.31
_exptl_crystal_size_mid          0.31
_exptl_crystal_size_min          0.2
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0368
_diffrn_reflns_av_unetI/netI     0.0246
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            70958
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         33.245
_diffrn_reflns_theta_min         2.726
_diffrn_ambient_temperature      100.0
_diffrn_detector_area_resol_mean 8
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  
'Bruker D8 Quest with a Photon 100 CMOS detector'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'sealed tube'
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                10229
_reflns_number_total             11301
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.38A (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (?, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         1.942
_refine_diff_density_min         -1.498
_refine_diff_density_rms         0.120
_refine_ls_extinction_coef       0.00203(6)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.100
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     336
_refine_ls_number_reflns         11301
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0308
_refine_ls_R_factor_gt           0.0256
_refine_ls_restrained_S_all      1.100
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0126P)²+6.5955P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0543
_refine_ls_wR_factor_ref         0.0560
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C11(H11), C14(H14)
2.b Secondary CH2 refined with riding coordinates:
 C3(H3A,H3B), C19(H19A,H19B), C21(H21A,H21B), C24(H24A,H24B), C25(H25A,H25B)
2.c Aromatic/amide H refined with riding coordinates:
 C7(H7), C8(H8), C9(H9)
2.d Idealised Me refined as rotating group:
 C12(H12A,H12B,H12C), C13(H13A,H13B,H13C), C15(H15A,H15B,H15C), C16(H16A,H16B,
 H16C), C17(H17A,H17B,H17C), C18(H18A,H18B,H18C), C20(H20A,H20B,H20C), C22(H22A,
 H22B,H22C), C23(H23A,H23B,H23C), C26(H26A,H26B,H26C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au Au 0.64967(2) 0.43847(2) 0.67865(2) 0.01397(3) Uani 1 1 d . . . . .
O O 0.47076(15) 0.43673(10) 0.63275(13) 0.0194(3) Uani 1 1 d . . . . .
N N 0.86034(16) 0.46252(11) 0.80034(12) 0.0125(3) Uani 1 1 d . . . . .
C1 C 0.81749(19) 0.44216(12) 0.71991(15) 0.0138(4) Uani 1 1 d . . . . .
C2 C 0.99388(19) 0.45596(13) 0.81803(16) 0.0154(4) Uani 1 1 d . . . . .
C3 C 1.0258(2) 0.44590(14) 0.72151(16) 0.0173(4) Uani 1 1 d . . . . .
H3A H 1.087138 0.405923 0.719903 0.021 Uiso 1 1 calc R . . . .
H3B H 1.055624 0.495114 0.699079 0.021 Uiso 1 1 calc R . . . .
C4 C 0.9127(2) 0.42099(13) 0.66235(15) 0.0158(4) Uani 1 1 d . . . . .
C5 C 0.78777(19) 0.48652(12) 0.86963(14) 0.0126(3) Uani 1 1 d . . . . .
C6 C 0.73597(19) 0.43048(12) 0.92084(14) 0.0136(4) Uani 1 1 d . . . . .
C7 C 0.6715(2) 0.45732(15) 0.98876(16) 0.0185(4) Uani 1 1 d . . . . .
H7 H 0.637540 0.421083 1.026009 0.022 Uiso 1 1 calc R . . . .
C8 C 0.6562(2) 0.53558(15) 1.00281(17) 0.0214(5) Uani 1 1 d . . . . .
H8 H 0.613662 0.552433 1.050294 0.026 Uiso 1 1 calc R . . . .
C9 C 0.7025(2) 0.58933(14) 0.94803(17) 0.0205(4) Uani 1 1 d . . . . .
H9 H 0.689025 0.642804 0.957026 0.025 Uiso 1 1 calc R . . . .
C10 C 0.7686(2) 0.56628(13) 0.87977(15) 0.0161(4) Uani 1 1 d . . . . .
C11 C 0.7389(2) 0.34405(13) 0.90332(15) 0.0164(4) Uani 1 1 d . . . . .
H11 H 0.788862 0.334556 0.853670 0.020 Uiso 1 1 calc R . . . .
C12 C 0.6142(2) 0.31477(15) 0.87216(17) 0.0210(4) Uani 1 1 d . . . . .
H12A H 0.564206 0.322903 0.920421 0.032 Uiso 1 1 calc GR . . . .
H12B H 0.617000 0.259527 0.858072 0.032 Uiso 1 1 calc GR . . . .
H12C H 0.582231 0.343294 0.818208 0.032 Uiso 1 1 calc GR . . . .
C13 C 0.7891(2) 0.29774(15) 0.98600(18) 0.0239(5) Uani 1 1 d . . . . .
H13A H 0.870227 0.313571 1.003676 0.036 Uiso 1 1 calc GR . . . .
H13B H 0.786828 0.242503 0.971381 0.036 Uiso 1 1 calc GR . . . .
H13C H 0.742400 0.307467 1.035951 0.036 Uiso 1 1 calc GR . . . .
C14 C 0.8051(2) 0.62685(13) 0.81453(16) 0.0183(4) Uani 1 1 d . . . . .
H14 H 0.860905 0.602140 0.776332 0.022 Uiso 1 1 calc R . . . .
C15 C 0.6969(2) 0.65294(14) 0.75234(18) 0.0236(5) Uani 1 1 d . . . . .
H15A H 0.662415 0.608371 0.718601 0.035 Uiso 1 1 calc GR . . . .
H15B H 0.719812 0.691928 0.710000 0.035 Uiso 1 1 calc GR . . . .
H15C H 0.639301 0.675158 0.788716 0.035 Uiso 1 1 calc GR . . . .
C16 C 0.8668(3) 0.69614(14) 0.8629(2) 0.0260(5) Uani 1 1 d . . . . .
H16A H 0.813565 0.721365 0.900736 0.039 Uiso 1 1 calc GR . . . .
H16B H 0.889575 0.733017 0.818145 0.039 Uiso 1 1 calc GR . . . .
H16C H 0.936765 0.678341 0.900828 0.039 Uiso 1 1 calc GR . . . .
C17 C 1.0488(2) 0.52778(14) 0.86403(18) 0.0211(4) Uani 1 1 d . . . . .
H17A H 1.032519 0.572638 0.824497 0.032 Uiso 1 1 calc GR . . . .
H17B H 1.133626 0.520506 0.876220 0.032 Uiso 1 1 calc GR . . . .
H17C H 1.015719 0.536440 0.920969 0.032 Uiso 1 1 calc GR . . . .
C18 C 1.0242(2) 0.38584(14) 0.87817(17) 0.0199(4) Uani 1 1 d . . . . .
H18A H 0.992197 0.392908 0.935854 0.030 Uiso 1 1 calc GR . . . .
H18B H 1.109382 0.380307 0.889005 0.030 Uiso 1 1 calc GR . . . .
H18C H 0.990377 0.339272 0.848282 0.030 Uiso 1 1 calc GR . . . .
C19 C 0.8914(2) 0.46391(16) 0.57169(17) 0.0221(5) Uani 1 1 d . . . . .
H19A H 0.958747 0.454160 0.537245 0.026 Uiso 1 1 calc R . . . .
H19B H 0.821082 0.441742 0.536690 0.026 Uiso 1 1 calc R . . . .
C20 C 0.8746(2) 0.55122(17) 0.57880(19) 0.0270(5) Uani 1 1 d . . . . .
H20A H 0.863112 0.573699 0.518144 0.041 Uiso 1 1 calc GR . . . .
H20B H 0.944011 0.574139 0.612671 0.041 Uiso 1 1 calc GR . . . .
H20C H 0.805769 0.561812 0.610155 0.041 Uiso 1 1 calc GR . . . .
C21 C 0.9064(2) 0.33245(14) 0.64683(17) 0.0210(4) Uani 1 1 d . . . . .
H21A H 0.918243 0.306303 0.706198 0.025 Uiso 1 1 calc R . . . .
H21B H 0.826903 0.319134 0.618675 0.025 Uiso 1 1 calc R . . . .
C22 C 0.9956(3) 0.30071(17) 0.5876(2) 0.0281(6) Uani 1 1 d . . . . .
H22A H 0.978502 0.321075 0.526212 0.042 Uiso 1 1 calc GR . . . .
H22B H 0.990913 0.244161 0.586116 0.042 Uiso 1 1 calc GR . . . .
H22C H 1.074438 0.316539 0.612430 0.042 Uiso 1 1 calc GR . . . .
C23 C 0.5095(3) 0.37446(18) 0.49394(19) 0.0298(6) Uani 1 1 d . . . . .
H23A H 0.476087 0.339465 0.446193 0.045 Uiso 1 1 calc GR . . . .
H23B H 0.585405 0.354452 0.520334 0.045 Uiso 1 1 calc GR . . . .
H23C H 0.520037 0.425835 0.468393 0.045 Uiso 1 1 calc GR . . . .
C24 C 0.4282(3) 0.3800(2) 0.5658(2) 0.0355(7) Uani 1 1 d . . . . .
H24A H 0.349101 0.394890 0.538209 0.043 Uiso 1 1 calc R . . . .
H24B H 0.422364 0.328997 0.595087 0.043 Uiso 1 1 calc R . . . .
C25 C 0.3880(3) 0.45192(18) 0.6984(2) 0.0311(6) Uani 1 1 d . . . . .
H25A H 0.372135 0.403397 0.730014 0.037 Uiso 1 1 calc R . . . .
H25B H 0.313160 0.470732 0.666588 0.037 Uiso 1 1 calc R . . . .
C26 C 0.4363(3) 0.51094(18) 0.7655(2) 0.0301(6) Uani 1 1 d . . . . .
H26A H 0.457464 0.557594 0.733735 0.045 Uiso 1 1 calc GR . . . .
H26B H 0.505990 0.490109 0.801162 0.045 Uiso 1 1 calc GR . . . .
H26C H 0.377188 0.523858 0.805588 0.045 Uiso 1 1 calc GR . . . .
Sb Sb 1.23849(2) 0.70139(2) 0.69356(2) 0.02526(4) Uani 1 1 d . . . . .
F1 F 1.2660(2) 0.65159(13) 0.80454(13) 0.0425(5) Uani 1 1 d . . . . .
F2 F 1.0786(2) 0.69390(18) 0.6986(3) 0.0840(11) Uani 1 1 d . . . . .
F3 F 1.2356(3) 0.60502(13) 0.63523(16) 0.0571(7) Uani 1 1 d . . . . .
F4 F 1.40015(18) 0.70639(13) 0.68859(17) 0.0459(5) Uani 1 1 d . . . . .
F5 F 1.2452(3) 0.79741(13) 0.7497(2) 0.0741(9) Uani 1 1 d . . . . .
F6 F 1.2126(3) 0.75112(17) 0.5824(2) 0.0833(11) 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
Au O 2.0952(17) . ?
Au C1 1.960(2) . ?
O C24 1.446(3) . ?
O C25 1.463(3) . ?
N C1 1.294(3) . ?
N C2 1.533(3) . ?
N C5 1.459(3) . ?
C1 C4 1.509(3) . ?
C2 C3 1.534(3) . ?
C2 C17 1.522(3) . ?
C2 C18 1.526(3) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C3 C4 1.550(3) . ?
C4 C19 1.538(3) . ?
C4 C21 1.550(3) . ?
C5 C6 1.407(3) . ?
C5 C10 1.408(3) . ?
C6 C7 1.399(3) . ?
C6 C11 1.519(3) . ?
C7 H7 0.9500 . ?
C7 C8 1.384(4) . ?
C8 H8 0.9500 . ?
C8 C9 1.383(4) . ?
C9 H9 0.9500 . ?
C9 C10 1.395(3) . ?
C10 C14 1.521(3) . ?
C11 H11 1.0000 . ?
C11 C12 1.543(3) . ?
C11 C13 1.529(3) . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14 1.0000 . ?
C14 C15 1.535(3) . ?
C14 C16 1.532(3) . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C19 C20 1.528(4) . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C21 C22 1.528(4) . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C23 C24 1.502(4) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C25 C26 1.493(4) . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
Sb F1 1.8615(19) . ?
Sb F2 1.853(2) . ?
Sb F3 1.879(2) . ?
Sb F4 1.871(2) . ?
Sb F5 1.858(2) . ?
Sb F6 1.861(2) . ?

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
C1 Au O 178.70(8) . . ?
C24 O Au 118.69(16) . . ?
C24 O C25 112.8(2) . . ?
C25 O Au 117.86(17) . . ?
C1 N C2 114.23(18) . . ?
C1 N C5 123.03(19) . . ?
C5 N C2 122.69(17) . . ?
N C1 Au 124.06(16) . . ?
N C1 C4 111.6(2) . . ?
C4 C1 Au 124.37(16) . . ?
N C2 C3 100.75(17) . . ?
C17 C2 N 112.01(18) . . ?
C17 C2 C3 112.6(2) . . ?
C17 C2 C18 109.1(2) . . ?
C18 C2 N 108.59(18) . . ?
C18 C2 C3 113.48(19) . . ?
C2 C3 H3A 110.3 . . ?
C2 C3 H3B 110.3 . . ?
C2 C3 C4 106.99(18) . . ?
H3A C3 H3B 108.6 . . ?
C4 C3 H3A 110.3 . . ?
C4 C3 H3B 110.3 . . ?
C1 C4 C3 103.00(18) . . ?
C1 C4 C19 109.17(19) . . ?
C1 C4 C21 107.48(18) . . ?
C3 C4 C21 112.5(2) . . ?
C19 C4 C3 114.03(19) . . ?
C19 C4 C21 110.2(2) . . ?
C6 C5 N 119.90(18) . . ?
C6 C5 C10 122.4(2) . . ?
C10 C5 N 117.63(19) . . ?
C5 C6 C11 124.49(19) . . ?
C7 C6 C5 117.0(2) . . ?
C7 C6 C11 118.4(2) . . ?
C6 C7 H7 119.3 . . ?
C8 C7 C6 121.4(2) . . ?
C8 C7 H7 119.3 . . ?
C7 C8 H8 119.9 . . ?
C9 C8 C7 120.3(2) . . ?
C9 C8 H8 119.9 . . ?
C8 C9 H9 119.5 . . ?
C8 C9 C10 121.0(2) . . ?
C10 C9 H9 119.5 . . ?
C5 C10 C14 123.3(2) . . ?
C9 C10 C5 117.6(2) . . ?
C9 C10 C14 118.8(2) . . ?
C6 C11 H11 108.3 . . ?
C6 C11 C12 109.72(19) . . ?
C6 C11 C13 113.00(19) . . ?
C12 C11 H11 108.3 . . ?
C13 C11 H11 108.3 . . ?
C13 C11 C12 109.0(2) . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C11 C13 H13A 109.5 . . ?
C11 C13 H13B 109.5 . . ?
C11 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C10 C14 H14 108.1 . . ?
C10 C14 C15 109.0(2) . . ?
C10 C14 C16 112.6(2) . . ?
C15 C14 H14 108.1 . . ?
C16 C14 H14 108.1 . . ?
C16 C14 C15 110.9(2) . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C14 C16 H16A 109.5 . . ?
C14 C16 H16B 109.5 . . ?
C14 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C2 C17 H17A 109.5 . . ?
C2 C17 H17B 109.5 . . ?
C2 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C2 C18 H18A 109.5 . . ?
C2 C18 H18B 109.5 . . ?
C2 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C4 C19 H19A 108.5 . . ?
C4 C19 H19B 108.5 . . ?
H19A C19 H19B 107.5 . . ?
C20 C19 C4 115.2(2) . . ?
C20 C19 H19A 108.5 . . ?
C20 C19 H19B 108.5 . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C4 C21 H21A 108.6 . . ?
C4 C21 H21B 108.6 . . ?
H21A C21 H21B 107.6 . . ?
C22 C21 C4 114.8(2) . . ?
C22 C21 H21A 108.6 . . ?
C22 C21 H21B 108.6 . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
C21 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C24 C23 H23A 109.5 . . ?
C24 C23 H23B 109.5 . . ?
C24 C23 H23C 109.5 . . ?
O C24 C23 110.3(2) . . ?
O C24 H24A 109.6 . . ?
O C24 H24B 109.6 . . ?
C23 C24 H24A 109.6 . . ?
C23 C24 H24B 109.6 . . ?
H24A C24 H24B 108.1 . . ?
O C25 H25A 109.6 . . ?
O C25 H25B 109.6 . . ?
O C25 C26 110.5(2) . . ?
H25A C25 H25B 108.1 . . ?
C26 C25 H25A 109.6 . . ?
C26 C25 H25B 109.6 . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
F1 Sb F3 89.62(10) . . ?
F1 Sb F4 89.16(10) . . ?
F1 Sb F6 179.43(13) . . ?
F2 Sb F1 90.15(13) . . ?
F2 Sb F3 89.43(15) . . ?
F2 Sb F4 178.64(11) . . ?
F2 Sb F5 92.05(15) . . ?
F2 Sb F6 90.41(15) . . ?
F4 Sb F3 89.40(12) . . ?
F5 Sb F1 91.09(13) . . ?
F5 Sb F3 178.35(14) . . ?
F5 Sb F4 89.13(12) . . ?
F5 Sb F6 88.97(15) . . ?
F6 Sb F3 90.30(13) . . ?
F6 Sb F4 90.28(13) . . ?

_olex2_submission_special_instructions 'No special instructions were received'

#===END
