# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2022

####################################################################### 
# 
# 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_1_a
_database_code_depnum_ccdc_archive 'CCDC 2159584'
loop_
_audit_author_name
_audit_author_address
'Yue Zhao'
;Nanjing University
China
;
_audit_update_record             
;
2022-04-19 deposited with the CCDC.	2022-05-05 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C39 H18 Al Cl2 F36 N O8'
_chemical_formula_weight         1410.42

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'
Al Al 0.0645 0.0514 '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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

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

_cell_length_a                   10.9911(15)
_cell_length_b                   14.4696(18)
_cell_length_c                   17.114(2)
_cell_angle_alpha                95.559(4)
_cell_angle_beta                 101.930(4)
_cell_angle_gamma                111.307(4)
_cell_volume                     2436.3(6)
_cell_formula_units_Z            2
_cell_measurement_temperature    120(2)
_cell_measurement_reflns_used    9442
_cell_measurement_theta_min      2.66
_cell_measurement_theta_max      27.44

_exptl_crystal_description       block
_exptl_crystal_colour            'dark brown'
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.923
_exptl_crystal_F_000             1388
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.180
_exptl_crystal_size_mid          0.160
_exptl_crystal_size_min          0.150
_exptl_absorpt_coefficient_mu    0.343
_shelx_estimated_absorpt_T_min   0.941
_shelx_estimated_absorpt_T_max   0.950
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6909
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0979 before and 0.0541 after correction.
The Ratio of minimum to maximum transmission is 0.9266.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      120(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            21988
_diffrn_reflns_av_unetI/netI     0.0532
_diffrn_reflns_av_R_equivalents  0.0360
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         2.060
_diffrn_reflns_theta_max         27.527
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measured_fraction_theta_full 0.991
_diffrn_reflns_Laue_measured_fraction_max 0.989
_diffrn_reflns_Laue_measured_fraction_full 0.991
_diffrn_reflns_point_group_measured_fraction_max 0.989
_diffrn_reflns_point_group_measured_fraction_full 0.991
_reflns_number_total             11097
_reflns_number_gt                8623
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0567P)²+3.2432P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         11097
_refine_ls_number_parameters     786
_refine_ls_number_restraints     2
_refine_ls_R_factor_all          0.0765
_refine_ls_R_factor_gt           0.0600
_refine_ls_wR_factor_ref         0.1654
_refine_ls_wR_factor_gt          0.1539
_refine_ls_goodness_of_fit_ref   1.154
_refine_ls_restrained_S_all      1.316
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Al1 Al 0.30264(8) 0.75206(6) 0.73819(5) 0.01638(17) Uani 1 1 d . . . . .
F19 F 0.3018(2) 0.84888(15) 0.93353(12) 0.0391(5) Uani 1 1 d . . . . .
F34 F 0.3092(2) 0.66886(17) 0.44961(12) 0.0416(5) Uani 1 1 d . . . . .
F27 F 0.2220(2) 1.00206(18) 0.70747(12) 0.0451(5) Uani 1 1 d . . . . .
F22 F 0.4870(2) 1.03194(16) 0.92085(13) 0.0467(6) Uani 1 1 d . . . . .
F2 F 0.5290(2) 0.58204(15) 0.81377(13) 0.0418(5) Uani 1 1 d . . . . .
O6 O 0.1856(2) 0.66800(15) 0.77757(13) 0.0257(4) Uani 1 1 d . . . . .
F20 F 0.1019(2) 0.82369(17) 0.86795(14) 0.0450(5) Uani 1 1 d . . . . .
F7 F 0.6719(2) 0.75240(18) 0.94644(13) 0.0444(5) Uani 1 1 d . . . . .
O3 O 0.94817(18) 0.11147(13) 0.85123(13) 0.0266(5) Uani 1 1 d D . . . .
O5 O 0.4543(2) 0.73766(16) 0.75655(13) 0.0268(4) Uani 1 1 d . . . . .
F25 F 0.0830(2) 0.85530(18) 0.71462(13) 0.0463(5) Uani 1 1 d . . . . .
F8 F 0.4568(2) 0.70314(18) 0.90750(12) 0.0446(5) Uani 1 1 d . . . . .
F21 F 0.2271(3) 0.96601(17) 0.94679(13) 0.0477(6) Uani 1 1 d . . . . .
F23 F 0.4735(2) 1.06044(16) 0.79957(13) 0.0478(6) Uani 1 1 d . . . . .
F14 F -0.0025(2) 0.46633(16) 0.85894(14) 0.0480(6) Uani 1 1 d . . . . .
O7 O 0.3314(2) 0.87043(15) 0.78641(13) 0.0268(5) Uani 1 1 d . . . . .
F18 F -0.0299(3) 0.54267(18) 0.63214(13) 0.0503(6) Uani 1 1 d . . . . .
O1 O 0.18028(19) 0.29156(14) 0.86558(13) 0.0306(5) Uani 1 1 d D . . . .
F3 F 0.5796(3) 0.63020(17) 0.70681(13) 0.0466(6) Uani 1 1 d . . . . .
F17 F -0.0696(2) 0.63801(18) 0.71710(16) 0.0523(6) Uani 1 1 d . . . . .
F16 F -0.1450(2) 0.47895(18) 0.71486(15) 0.0522(6) Uani 1 1 d . . . . .
O8 O 0.2380(2) 0.73324(17) 0.63486(12) 0.0269(5) Uani 1 1 d . . . . .
O2 O 0.8742(2) 0.61959(17) 1.00785(14) 0.0303(5) Uani 1 1 d . . . . .
F32 F 0.1360(3) 0.7626(2) 0.43354(12) 0.0519(6) Uani 1 1 d . . . . .
F11 F 0.2040(3) 0.51749(17) 0.68347(16) 0.0525(6) Uani 1 1 d . . . . .
F29 F 0.4052(3) 0.87283(17) 0.50108(14) 0.0483(6) Uani 1 1 d . . . . .
F26 F 0.1005(3) 0.9876(2) 0.79314(14) 0.0525(6) Uani 1 1 d . . . . .
F6 F 0.6479(3) 0.92436(16) 0.79132(17) 0.0548(6) Uani 1 1 d . . . . .
F31 F 0.0537(2) 0.7717(2) 0.53582(14) 0.0539(6) Uani 1 1 d . . . . .
F36 F 0.4497(2) 0.7063(2) 0.56654(14) 0.0515(6) Uani 1 1 d . . . . .
F12 F 0.0498(3) 0.40150(15) 0.71911(16) 0.0540(6) Uani 1 1 d . . . . .
F9 F 0.5819(3) 0.85948(18) 0.92456(14) 0.0540(6) Uani 1 1 d . . . . .
F1 F 0.7335(2) 0.67384(19) 0.81915(16) 0.0527(6) Uani 1 1 d . . . . .
F35 F 0.2587(3) 0.58435(18) 0.54273(16) 0.0575(7) Uani 1 1 d . . . . .
F13 F 0.1771(3) 0.59800(19) 0.91334(13) 0.0558(7) Uani 1 1 d . . . . .
F33 F 0.0455(3) 0.6300(2) 0.48299(14) 0.0568(6) Uani 1 1 d . . . . .
F15 F -0.0109(3) 0.61244(19) 0.87007(15) 0.0554(6) Uani 1 1 d . . . . .
F24 F 0.3631(3) 1.11016(15) 0.87316(15) 0.0591(7) Uani 1 1 d . . . . .
F4 F 0.8018(2) 0.87655(19) 0.85096(17) 0.0588(7) Uani 1 1 d . . . . .
O4 O 0.2770(3) 0.2424(2) 0.47548(14) 0.0372(6) Uani 1 1 d . . . . .
F28 F 0.4607(3) 0.88820(19) 0.63087(15) 0.0587(7) Uani 1 1 d . . . . .
F5 F 0.7120(3) 0.8288(2) 0.72134(17) 0.0568(6) Uani 1 1 d . . . . .
F10 F 0.2408(2) 0.49097(19) 0.80516(18) 0.0575(7) Uani 1 1 d . . . . .
N1 N 0.6043(2) 0.30710(17) 0.78495(14) 0.0185(5) Uani 1 1 d . . . . .
F30 F 0.2957(3) 0.92224(18) 0.57349(16) 0.0607(7) Uani 1 1 d . . . . .
C3 C 0.5161(3) 0.47174(19) 0.96854(15) 0.0158(5) Uani 1 1 d . . . . .
C8 C 0.4433(3) 0.3373(2) 0.85104(16) 0.0182(5) Uani 1 1 d . . . . .
H8 H 0.372405 0.283323 0.812187 0.022 Uiso 1 1 calc R U . . .
C4 C 0.6494(3) 0.49851(19) 0.96183(16) 0.0165(5) Uani 1 1 d . . . . .
C7 C 0.5764(3) 0.3637(2) 0.84721(16) 0.0174(5) Uani 1 1 d . . . . .
C2 C 0.4140(3) 0.39003(19) 0.91170(16) 0.0162(5) Uani 1 1 d . . . . .
C6 C 0.6798(3) 0.4446(2) 0.90229(17) 0.0195(5) Uani 1 1 d . . . . .
H6 H 0.770717 0.463042 0.899322 0.023 Uiso 1 1 calc R U . . .
C14 C 0.7511(3) 0.2323(2) 0.74355(17) 0.0218(6) Uani 1 1 d . . . . .
H14 H 0.728664 0.244965 0.690102 0.026 Uiso 1 1 calc R U . . .
C9 C 0.6974(3) 0.26493(19) 0.80413(16) 0.0184(5) Uani 1 1 d . . . . .
C1 C 0.2707(3) 0.3565(2) 0.91467(16) 0.0184(5) Uani 1 1 d . . . . .
C17 C 0.4656(3) 0.1963(2) 0.65406(17) 0.0219(6) Uani 1 1 d . . . . .
H17 H 0.481655 0.140865 0.672367 0.026 Uiso 1 1 calc R U . . .
C5 C 0.7614(3) 0.5881(2) 1.01611(16) 0.0194(5) Uani 1 1 d . . . . .
C13 C 0.8345(3) 0.1830(2) 0.76166(18) 0.0241(6) Uani 1 1 d . . . . .
H13 H 0.868321 0.159866 0.720390 0.029 Uiso 1 1 calc R U . . .
C16 C 0.5234(3) 0.2914(2) 0.70480(16) 0.0198(5) Uani 1 1 d . . . . .
C18 C 0.3859(3) 0.1839(2) 0.57803(18) 0.0249(6) Uani 1 1 d . . . . .
H18 H 0.347536 0.119692 0.543092 0.030 Uiso 1 1 calc R U . . .
C11 C 0.8252(3) 0.2032(2) 0.90274(18) 0.0219(6) Uani 1 1 d . . . . .
H11 H 0.854045 0.195306 0.957049 0.026 Uiso 1 1 calc R U . . .
C10 C 0.7387(3) 0.2508(2) 0.88443(17) 0.0205(5) Uani 1 1 d . . . . .
H10 H 0.705982 0.274543 0.926033 0.025 Uiso 1 1 calc R U . . .
C12 C 0.8711(3) 0.1660(2) 0.84085(19) 0.0223(6) Uani 1 1 d . . . . .
C21 C 0.4987(3) 0.3722(2) 0.67774(18) 0.0248(6) Uani 1 1 d . . . . .
H21 H 0.538513 0.436860 0.712189 0.030 Uiso 1 1 calc R U . . .
C23 C 0.5744(3) 0.7543(2) 0.80703(19) 0.0250(6) Uani 1 1 d . . . . .
C27 C 0.0943(3) 0.5741(2) 0.76997(18) 0.0244(6) Uani 1 1 d . . . . .
C19 C 0.3600(3) 0.2649(3) 0.55098(18) 0.0268(6) Uani 1 1 d . . . . .
C20 C 0.4167(3) 0.3589(2) 0.60108(19) 0.0279(6) Uani 1 1 d . . . . .
H20 H 0.399333 0.413990 0.582891 0.034 Uiso 1 1 calc R U . . .
C31 C 0.2829(3) 0.9322(2) 0.82127(18) 0.0241(6) Uani 1 1 d . . . . .
C15 C 1.0035(4) 0.1044(3) 0.9331(2) 0.0325(7) Uani 1 1 d . . . . .
H15A H 1.068937 0.073062 0.933320 0.049 Uiso 1 1 calc R U . . .
H15B H 0.930389 0.063177 0.954936 0.049 Uiso 1 1 calc R U . . .
H15C H 1.048783 0.172237 0.966813 0.049 Uiso 1 1 calc R U . . .
C35 C 0.2605(3) 0.7494(2) 0.56193(18) 0.0265(6) Uani 1 1 d . . . . .
C30 C -0.0396(4) 0.5576(3) 0.7077(2) 0.0344(7) Uani 1 1 d . . . . .
C36 C 0.3188(4) 0.6755(3) 0.5295(2) 0.0358(8) Uani 1 1 d . . . . .
C33 C 0.1692(4) 0.9447(3) 0.7583(2) 0.0361(8) Uani 1 1 d . . . . .
C34 C 0.2276(4) 0.8923(3) 0.8932(2) 0.0330(7) Uani 1 1 d . . . . .
C26 C 0.5713(4) 0.7671(3) 0.8977(2) 0.0337(7) Uani 1 1 d . . . . .
C29 C 0.0638(4) 0.5622(3) 0.8541(2) 0.0383(8) Uani 1 1 d . . . . .
C25 C 0.6060(4) 0.6596(3) 0.7859(2) 0.0331(7) Uani 1 1 d . . . . .
C32 C 0.4032(4) 1.0349(2) 0.8544(2) 0.0378(8) Uani 1 1 d . . . . .
C28 C 0.1463(4) 0.4936(3) 0.7430(2) 0.0379(8) Uani 1 1 d . . . . .
C24 C 0.6866(4) 0.8483(3) 0.7932(3) 0.0415(9) Uani 1 1 d . . . . .
C37 C 0.3588(4) 0.8591(3) 0.5665(2) 0.0379(8) Uani 1 1 d . . . . .
C38 C 0.1221(4) 0.7283(3) 0.5026(2) 0.0407(9) Uani 1 1 d . . . . .
C22 C 0.2521(4) 0.3219(3) 0.4419(2) 0.0461(9) Uani 1 1 d . . . . .
H22A H 0.192193 0.295071 0.386791 0.069 Uiso 1 1 calc R U . . .
H22B H 0.337928 0.373899 0.439823 0.069 Uiso 1 1 calc R U . . .
H22C H 0.209043 0.351529 0.475941 0.069 Uiso 1 1 calc R U . . .
Cl1 Cl 0.87438(10) 0.80351(7) 0.32024(6) 0.0456(2) Uani 1 1 d . . . . .
Cl2 Cl 1.08978(11) 0.99521(8) 0.40340(7) 0.0534(3) Uani 1 1 d . . . . .
C100 C 0.9380(4) 0.9003(3) 0.4068(2) 0.0398(8) Uani 1 1 d . . . . .
H10A H 0.870416 0.929896 0.409870 0.048 Uiso 1 1 calc R U . . .
H10B H 0.953403 0.871521 0.456267 0.048 Uiso 1 1 calc R U . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Al1 O7 1.715(2) . ?
Al1 O8 1.718(2) . ?
Al1 O5 1.723(2) . ?
Al1 O6 1.723(2) . ?
F19 C34 1.325(4) . ?
F34 C36 1.341(4) . ?
F27 C33 1.334(4) . ?
F22 C32 1.322(4) . ?
F2 C25 1.335(4) . ?
O6 C27 1.338(3) . ?
F20 C34 1.325(4) . ?
F7 C26 1.337(4) . ?
O3 C12 1.350(3) . ?
O3 C15 1.436(4) . ?
O5 C23 1.344(4) . ?
F25 C33 1.326(4) . ?
F8 C26 1.320(4) . ?
F21 C34 1.340(4) . ?
F23 C32 1.332(4) . ?
F14 C29 1.332(4) . ?
O7 C31 1.346(3) . ?
F18 C30 1.323(4) . ?
O1 C1 1.183(3) . ?
F3 C25 1.317(4) . ?
F17 C30 1.324(4) . ?
F16 C30 1.334(4) . ?
O8 C35 1.347(3) . ?
O2 C5 1.199(4) . ?
F32 C38 1.341(4) . ?
F11 C28 1.318(4) . ?
F29 C37 1.327(4) . ?
F26 C33 1.328(4) . ?
F6 C24 1.318(4) . ?
F31 C38 1.317(4) . ?
F36 C36 1.332(4) . ?
F12 C28 1.325(4) . ?
F9 C26 1.326(4) . ?
F1 C25 1.330(4) . ?
F35 C36 1.309(4) . ?
F13 C29 1.324(4) . ?
F33 C38 1.329(5) . ?
F15 C29 1.328(5) . ?
F24 C32 1.350(4) . ?
F4 C24 1.333(4) . ?
O4 C19 1.350(4) . ?
O4 C22 1.422(4) . ?
F28 C37 1.305(5) . ?
F5 C24 1.342(5) . ?
F10 C28 1.338(5) . ?
N1 C9 1.372(3) . ?
N1 C16 1.419(4) . ?
N1 C7 1.431(3) . ?
F30 C37 1.343(4) . ?
C3 C2 1.402(4) . ?
C3 C4 1.406(4) . ?
C3 C3 1.466(5) 2_667 ?
C8 C2 1.388(4) . ?
C8 C7 1.389(4) . ?
C8 H8 0.9500 . ?
C4 C6 1.390(4) . ?
C4 C5 1.481(4) . ?
C7 C6 1.388(4) . ?
C2 C1 1.484(4) . ?
C6 H6 0.9500 . ?
C14 C13 1.359(4) . ?
C14 C9 1.416(4) . ?
C14 H14 0.9500 . ?
C9 C10 1.414(4) . ?
C1 C5 1.538(4) 2_667 ?
C17 C18 1.364(4) . ?
C17 C16 1.399(4) . ?
C17 H17 0.9500 . ?
C13 C12 1.403(4) . ?
C13 H13 0.9500 . ?
C16 C21 1.392(4) . ?
C18 C19 1.400(4) . ?
C18 H18 0.9500 . ?
C11 C10 1.368(4) . ?
C11 C12 1.405(4) . ?
C11 H11 0.9500 . ?
C10 H10 0.9500 . ?
C21 C20 1.381(4) . ?
C21 H21 0.9500 . ?
C23 C24 1.546(5) . ?
C23 C26 1.553(5) . ?
C23 C25 1.558(4) . ?
C27 C28 1.545(5) . ?
C27 C30 1.550(4) . ?
C27 C29 1.556(4) . ?
C19 C20 1.383(5) . ?
C20 H20 0.9500 . ?
C31 C32 1.542(5) . ?
C31 C33 1.550(5) . ?
C31 C34 1.553(4) . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C35 C37 1.545(5) . ?
C35 C36 1.546(4) . ?
C35 C38 1.550(5) . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
Cl1 C100 1.762(4) . ?
Cl2 C100 1.750(4) . ?
C100 H10A 0.9900 . ?
C100 H10B 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
O7 Al1 O8 112.45(11) . . ?
O7 Al1 O5 108.25(12) . . ?
O8 Al1 O5 108.58(11) . . ?
O7 Al1 O6 106.36(11) . . ?
O8 Al1 O6 108.72(11) . . ?
O5 Al1 O6 112.54(11) . . ?
C27 O6 Al1 148.0(2) . . ?
C12 O3 C15 117.4(2) . . ?
C23 O5 Al1 149.9(2) . . ?
C31 O7 Al1 148.3(2) . . ?
C35 O8 Al1 148.2(2) . . ?
C19 O4 C22 118.3(3) . . ?
C9 N1 C16 123.0(2) . . ?
C9 N1 C7 120.8(2) . . ?
C16 N1 C7 116.1(2) . . ?
C2 C3 C4 117.5(2) . . ?
C2 C3 C3 121.0(3) . 2_667 ?
C4 C3 C3 121.5(3) . 2_667 ?
C2 C8 C7 119.9(3) . . ?
C2 C8 H8 120.1 . . ?
C7 C8 H8 120.1 . . ?
C6 C4 C3 121.4(2) . . ?
C6 C4 C5 117.9(2) . . ?
C3 C4 C5 120.7(2) . . ?
C8 C7 C6 120.2(2) . . ?
C8 C7 N1 118.9(2) . . ?
C6 C7 N1 120.9(2) . . ?
C8 C2 C3 121.3(2) . . ?
C8 C2 C1 117.6(2) . . ?
C3 C2 C1 121.0(2) . . ?
C7 C6 C4 119.6(3) . . ?
C7 C6 H6 120.2 . . ?
C4 C6 H6 120.2 . . ?
C13 C14 C9 120.2(3) . . ?
C13 C14 H14 119.9 . . ?
C9 C14 H14 119.9 . . ?
N1 C9 C10 120.4(2) . . ?
N1 C9 C14 120.6(2) . . ?
C10 C9 C14 118.9(3) . . ?
O1 C1 C2 123.5(2) . . ?
O1 C1 C5 118.7(3) . 2_667 ?
C2 C1 C5 117.8(2) . 2_667 ?
C18 C17 C16 119.4(3) . . ?
C18 C17 H17 120.3 . . ?
C16 C17 H17 120.3 . . ?
O2 C5 C4 123.2(2) . . ?
O2 C5 C1 119.1(3) . 2_667 ?
C4 C5 C1 117.7(2) . 2_667 ?
C14 C13 C12 120.5(3) . . ?
C14 C13 H13 119.7 . . ?
C12 C13 H13 119.7 . . ?
C21 C16 C17 120.0(3) . . ?
C21 C16 N1 118.8(2) . . ?
C17 C16 N1 121.2(2) . . ?
C17 C18 C19 120.7(3) . . ?
C17 C18 H18 119.7 . . ?
C19 C18 H18 119.7 . . ?
C10 C11 C12 119.7(3) . . ?
C10 C11 H11 120.2 . . ?
C12 C11 H11 120.2 . . ?
C11 C10 C9 120.6(3) . . ?
C11 C10 H10 119.7 . . ?
C9 C10 H10 119.7 . . ?
O3 C12 C13 115.7(3) . . ?
O3 C12 C11 124.3(3) . . ?
C13 C12 C11 119.9(3) . . ?
C20 C21 C16 120.3(3) . . ?
C20 C21 H21 119.8 . . ?
C16 C21 H21 119.8 . . ?
O5 C23 C24 110.4(3) . . ?
O5 C23 C26 112.1(3) . . ?
C24 C23 C26 110.0(3) . . ?
O5 C23 C25 106.8(3) . . ?
C24 C23 C25 109.0(3) . . ?
C26 C23 C25 108.5(2) . . ?
O6 C27 C28 111.9(3) . . ?
O6 C27 C30 110.4(2) . . ?
C28 C27 C30 109.3(3) . . ?
O6 C27 C29 107.7(3) . . ?
C28 C27 C29 109.6(3) . . ?
C30 C27 C29 107.9(3) . . ?
O4 C19 C20 124.9(3) . . ?
O4 C19 C18 115.0(3) . . ?
C20 C19 C18 120.0(3) . . ?
C21 C20 C19 119.6(3) . . ?
C21 C20 H20 120.2 . . ?
C19 C20 H20 120.2 . . ?
O7 C31 C32 106.4(3) . . ?
O7 C31 C33 110.9(2) . . ?
C32 C31 C33 110.1(3) . . ?
O7 C31 C34 111.5(2) . . ?
C32 C31 C34 108.7(3) . . ?
C33 C31 C34 109.3(3) . . ?
O3 C15 H15A 109.5 . . ?
O3 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
O3 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
O8 C35 C37 111.7(3) . . ?
O8 C35 C36 110.2(3) . . ?
C37 C35 C36 109.4(3) . . ?
O8 C35 C38 107.3(3) . . ?
C37 C35 C38 109.5(3) . . ?
C36 C35 C38 108.6(3) . . ?
F18 C30 F17 106.9(3) . . ?
F18 C30 F16 107.6(3) . . ?
F17 C30 F16 107.0(3) . . ?
F18 C30 C27 111.3(3) . . ?
F17 C30 C27 110.9(3) . . ?
F16 C30 C27 112.9(3) . . ?
F35 C36 F36 106.9(3) . . ?
F35 C36 F34 108.0(3) . . ?
F36 C36 F34 106.5(3) . . ?
F35 C36 C35 112.0(3) . . ?
F36 C36 C35 110.4(3) . . ?
F34 C36 C35 112.6(3) . . ?
F25 C33 F26 108.4(3) . . ?
F25 C33 F27 108.0(3) . . ?
F26 C33 F27 108.0(3) . . ?
F25 C33 C31 110.0(3) . . ?
F26 C33 C31 112.3(3) . . ?
F27 C33 C31 110.0(3) . . ?
F20 C34 F19 107.0(3) . . ?
F20 C34 F21 107.0(3) . . ?
F19 C34 F21 107.3(3) . . ?
F20 C34 C31 111.7(3) . . ?
F19 C34 C31 111.1(3) . . ?
F21 C34 C31 112.3(3) . . ?
F8 C26 F9 107.3(3) . . ?
F8 C26 F7 107.2(3) . . ?
F9 C26 F7 107.2(3) . . ?
F8 C26 C23 111.4(3) . . ?
F9 C26 C23 110.6(3) . . ?
F7 C26 C23 112.9(3) . . ?
F13 C29 F15 107.5(3) . . ?
F13 C29 F14 106.9(3) . . ?
F15 C29 F14 107.2(3) . . ?
F13 C29 C27 111.0(3) . . ?
F15 C29 C27 111.2(3) . . ?
F14 C29 C27 112.8(3) . . ?
F3 C25 F1 108.2(3) . . ?
F3 C25 F2 106.8(3) . . ?
F1 C25 F2 106.3(3) . . ?
F3 C25 C23 111.8(3) . . ?
F1 C25 C23 113.2(3) . . ?
F2 C25 C23 110.2(3) . . ?
F22 C32 F23 107.5(3) . . ?
F22 C32 F24 107.5(3) . . ?
F23 C32 F24 107.3(3) . . ?
F22 C32 C31 111.3(3) . . ?
F23 C32 C31 110.6(3) . . ?
F24 C32 C31 112.3(3) . . ?
F11 C28 F12 108.8(3) . . ?
F11 C28 F10 107.1(3) . . ?
F12 C28 F10 107.8(3) . . ?
F11 C28 C27 110.3(3) . . ?
F12 C28 C27 113.1(3) . . ?
F10 C28 C27 109.4(3) . . ?
F6 C24 F4 109.0(3) . . ?
F6 C24 F5 107.2(3) . . ?
F4 C24 F5 107.9(3) . . ?
F6 C24 C23 110.5(3) . . ?
F4 C24 C23 111.7(3) . . ?
F5 C24 C23 110.4(3) . . ?
F28 C37 F29 109.2(3) . . ?
F28 C37 F30 106.5(3) . . ?
F29 C37 F30 106.4(3) . . ?
F28 C37 C35 110.9(3) . . ?
F29 C37 C35 113.5(3) . . ?
F30 C37 C35 110.0(3) . . ?
F31 C38 F33 106.7(3) . . ?
F31 C38 F32 107.5(3) . . ?
F33 C38 F32 108.0(3) . . ?
F31 C38 C35 111.2(3) . . ?
F33 C38 C35 111.2(3) . . ?
F32 C38 C35 112.1(3) . . ?
O4 C22 H22A 109.5 . . ?
O4 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
O4 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
Cl2 C100 Cl1 111.2(2) . . ?
Cl2 C100 H10A 109.4 . . ?
Cl1 C100 H10A 109.4 . . ?
Cl2 C100 H10B 109.4 . . ?
Cl1 C100 H10B 109.4 . . ?
H10A C100 H10B 108.0 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O7 Al1 O6 C27 162.6(4) . . . . ?
O8 Al1 O6 C27 41.3(4) . . . . ?
O5 Al1 O6 C27 -79.0(4) . . . . ?
O7 Al1 O5 C23 37.3(4) . . . . ?
O8 Al1 O5 C23 159.6(4) . . . . ?
O6 Al1 O5 C23 -80.0(4) . . . . ?
O8 Al1 O7 C31 86.4(4) . . . . ?
O5 Al1 O7 C31 -153.7(4) . . . . ?
O6 Al1 O7 C31 -32.5(4) . . . . ?
O7 Al1 O8 C35 77.4(4) . . . . ?
O5 Al1 O8 C35 -42.3(4) . . . . ?
O6 Al1 O8 C35 -165.1(4) . . . . ?
C2 C3 C4 C6 -1.5(4) . . . . ?
C3 C3 C4 C6 179.8(3) 2_667 . . . ?
C2 C3 C4 C5 175.9(2) . . . . ?
C3 C3 C4 C5 -2.8(4) 2_667 . . . ?
C2 C8 C7 C6 -2.1(4) . . . . ?
C2 C8 C7 N1 178.9(2) . . . . ?
C9 N1 C7 C8 -126.6(3) . . . . ?
C16 N1 C7 C8 48.8(3) . . . . ?
C9 N1 C7 C6 54.4(4) . . . . ?
C16 N1 C7 C6 -130.2(3) . . . . ?
C7 C8 C2 C3 1.7(4) . . . . ?
C7 C8 C2 C1 -177.9(2) . . . . ?
C4 C3 C2 C8 0.1(4) . . . . ?
C3 C3 C2 C8 178.8(3) 2_667 . . . ?
C4 C3 C2 C1 179.7(2) . . . . ?
C3 C3 C2 C1 -1.6(4) 2_667 . . . ?
C8 C7 C6 C4 0.6(4) . . . . ?
N1 C7 C6 C4 179.6(2) . . . . ?
C3 C4 C6 C7 1.2(4) . . . . ?
C5 C4 C6 C7 -176.3(2) . . . . ?
C16 N1 C9 C10 -156.7(3) . . . . ?
C7 N1 C9 C10 18.3(4) . . . . ?
C16 N1 C9 C14 21.5(4) . . . . ?
C7 N1 C9 C14 -163.4(3) . . . . ?
C13 C14 C9 N1 -174.5(3) . . . . ?
C13 C14 C9 C10 3.8(4) . . . . ?
C8 C2 C1 O1 -4.6(4) . . . . ?
C3 C2 C1 O1 175.8(3) . . . . ?
C8 C2 C1 C5 177.6(2) . . . 2_667 ?
C3 C2 C1 C5 -2.1(4) . . . 2_667 ?
C6 C4 C5 O2 4.8(4) . . . . ?
C3 C4 C5 O2 -172.7(3) . . . . ?
C6 C4 C5 C1 -176.2(2) . . . 2_667 ?
C3 C4 C5 C1 6.4(4) . . . 2_667 ?
C9 C14 C13 C12 -1.6(4) . . . . ?
C18 C17 C16 C21 0.4(4) . . . . ?
C18 C17 C16 N1 178.5(3) . . . . ?
C9 N1 C16 C21 -140.7(3) . . . . ?
C7 N1 C16 C21 44.1(4) . . . . ?
C9 N1 C16 C17 41.2(4) . . . . ?
C7 N1 C16 C17 -134.0(3) . . . . ?
C16 C17 C18 C19 -0.9(4) . . . . ?
C12 C11 C10 C9 -1.4(4) . . . . ?
N1 C9 C10 C11 176.0(3) . . . . ?
C14 C9 C10 C11 -2.3(4) . . . . ?
C15 O3 C12 C13 171.5(3) . . . . ?
C15 O3 C12 C11 -10.0(4) . . . . ?
C14 C13 C12 O3 176.4(3) . . . . ?
C14 C13 C12 C11 -2.2(4) . . . . ?
C10 C11 C12 O3 -174.8(3) . . . . ?
C10 C11 C12 C13 3.7(4) . . . . ?
C17 C16 C21 C20 0.4(4) . . . . ?
N1 C16 C21 C20 -177.8(3) . . . . ?
Al1 O5 C23 C24 -95.3(4) . . . . ?
Al1 O5 C23 C26 27.7(5) . . . . ?
Al1 O5 C23 C25 146.4(3) . . . . ?
Al1 O6 C27 C28 43.8(5) . . . . ?
Al1 O6 C27 C30 -78.1(5) . . . . ?
Al1 O6 C27 C29 164.4(3) . . . . ?
C22 O4 C19 C20 4.5(5) . . . . ?
C22 O4 C19 C18 -176.5(3) . . . . ?
C17 C18 C19 O4 -178.4(3) . . . . ?
C17 C18 C19 C20 0.8(5) . . . . ?
C16 C21 C20 C19 -0.6(5) . . . . ?
O4 C19 C20 C21 179.1(3) . . . . ?
C18 C19 C20 C21 0.0(5) . . . . ?
Al1 O7 C31 C32 176.5(3) . . . . ?
Al1 O7 C31 C33 -63.8(5) . . . . ?
Al1 O7 C31 C34 58.2(5) . . . . ?
Al1 O8 C35 C37 -41.3(5) . . . . ?
Al1 O8 C35 C36 80.4(5) . . . . ?
Al1 O8 C35 C38 -161.5(3) . . . . ?
O6 C27 C30 F18 77.6(3) . . . . ?
C28 C27 C30 F18 -45.9(3) . . . . ?
C29 C27 C30 F18 -165.0(3) . . . . ?
O6 C27 C30 F17 -41.2(4) . . . . ?
C28 C27 C30 F17 -164.7(3) . . . . ?
C29 C27 C30 F17 76.2(3) . . . . ?
O6 C27 C30 F16 -161.3(3) . . . . ?
C28 C27 C30 F16 75.2(4) . . . . ?
C29 C27 C30 F16 -43.9(4) . . . . ?
O8 C35 C36 F35 41.2(4) . . . . ?
C37 C35 C36 F35 164.4(3) . . . . ?
C38 C35 C36 F35 -76.1(4) . . . . ?
O8 C35 C36 F36 -77.9(3) . . . . ?
C37 C35 C36 F36 45.3(3) . . . . ?
C38 C35 C36 F36 164.8(3) . . . . ?
O8 C35 C36 F34 163.2(3) . . . . ?
C37 C35 C36 F34 -73.7(4) . . . . ?
C38 C35 C36 F34 45.8(4) . . . . ?
O7 C31 C33 F25 46.3(4) . . . . ?
C32 C31 C33 F25 163.7(3) . . . . ?
C34 C31 C33 F25 -77.0(3) . . . . ?
O7 C31 C33 F26 167.1(3) . . . . ?
C32 C31 C33 F26 -75.5(4) . . . . ?
C34 C31 C33 F26 43.8(4) . . . . ?
O7 C31 C33 F27 -72.5(3) . . . . ?
C32 C31 C33 F27 44.9(4) . . . . ?
C34 C31 C33 F27 164.2(3) . . . . ?
O7 C31 C34 F20 -83.5(3) . . . . ?
C32 C31 C34 F20 159.6(3) . . . . ?
C33 C31 C34 F20 39.5(3) . . . . ?
O7 C31 C34 F19 36.0(4) . . . . ?
C32 C31 C34 F19 -80.9(3) . . . . ?
C33 C31 C34 F19 158.9(3) . . . . ?
O7 C31 C34 F21 156.3(3) . . . . ?
C32 C31 C34 F21 39.4(4) . . . . ?
C33 C31 C34 F21 -80.8(4) . . . . ?
O5 C23 C26 F8 39.8(4) . . . . ?
C24 C23 C26 F8 163.1(3) . . . . ?
C25 C23 C26 F8 -77.8(3) . . . . ?
O5 C23 C26 F9 -79.4(3) . . . . ?
C24 C23 C26 F9 43.9(4) . . . . ?
C25 C23 C26 F9 163.0(3) . . . . ?
O5 C23 C26 F7 160.5(3) . . . . ?
C24 C23 C26 F7 -76.2(3) . . . . ?
C25 C23 C26 F7 42.9(4) . . . . ?
O6 C27 C29 F13 -46.3(4) . . . . ?
C28 C27 C29 F13 75.7(4) . . . . ?
C30 C27 C29 F13 -165.4(3) . . . . ?
O6 C27 C29 F15 73.3(3) . . . . ?
C28 C27 C29 F15 -164.8(3) . . . . ?
C30 C27 C29 F15 -45.9(4) . . . . ?
O6 C27 C29 F14 -166.2(3) . . . . ?
C28 C27 C29 F14 -44.3(4) . . . . ?
C30 C27 C29 F14 74.7(4) . . . . ?
O5 C23 C25 F3 44.3(4) . . . . ?
C24 C23 C25 F3 -74.9(4) . . . . ?
C26 C23 C25 F3 165.3(3) . . . . ?
O5 C23 C25 F1 166.9(3) . . . . ?
C24 C23 C25 F1 47.6(4) . . . . ?
C26 C23 C25 F1 -72.2(3) . . . . ?
O5 C23 C25 F2 -74.3(3) . . . . ?
C24 C23 C25 F2 166.5(3) . . . . ?
C26 C23 C25 F2 46.7(4) . . . . ?
O7 C31 C32 F22 -74.5(3) . . . . ?
C33 C31 C32 F22 165.3(3) . . . . ?
C34 C31 C32 F22 45.6(4) . . . . ?
O7 C31 C32 F23 45.0(3) . . . . ?
C33 C31 C32 F23 -75.1(4) . . . . ?
C34 C31 C32 F23 165.2(3) . . . . ?
O7 C31 C32 F24 164.9(3) . . . . ?
C33 C31 C32 F24 44.8(4) . . . . ?
C34 C31 C32 F24 -74.9(3) . . . . ?
O6 C27 C28 F11 -44.9(4) . . . . ?
C30 C27 C28 F11 77.7(4) . . . . ?
C29 C27 C28 F11 -164.2(3) . . . . ?
O6 C27 C28 F12 -167.1(3) . . . . ?
C30 C27 C28 F12 -44.5(4) . . . . ?
C29 C27 C28 F12 73.6(4) . . . . ?
O6 C27 C28 F10 72.7(3) . . . . ?
C30 C27 C28 F10 -164.7(3) . . . . ?
C29 C27 C28 F10 -46.6(4) . . . . ?
O5 C23 C24 F6 48.0(4) . . . . ?
C26 C23 C24 F6 -76.2(4) . . . . ?
C25 C23 C24 F6 165.0(3) . . . . ?
O5 C23 C24 F4 169.5(3) . . . . ?
C26 C23 C24 F4 45.4(4) . . . . ?
C25 C23 C24 F4 -73.5(4) . . . . ?
O5 C23 C24 F5 -70.4(4) . . . . ?
C26 C23 C24 F5 165.4(3) . . . . ?
C25 C23 C24 F5 46.6(4) . . . . ?
O8 C35 C37 F28 43.6(4) . . . . ?
C36 C35 C37 F28 -78.6(3) . . . . ?
C38 C35 C37 F28 162.4(3) . . . . ?
O8 C35 C37 F29 167.0(3) . . . . ?
C36 C35 C37 F29 44.7(4) . . . . ?
C38 C35 C37 F29 -74.2(4) . . . . ?
O8 C35 C37 F30 -74.0(4) . . . . ?
C36 C35 C37 F30 163.8(3) . . . . ?
C38 C35 C37 F30 44.8(4) . . . . ?
O8 C35 C38 F31 46.2(4) . . . . ?
C37 C35 C38 F31 -75.2(4) . . . . ?
C36 C35 C38 F31 165.4(3) . . . . ?
O8 C35 C38 F33 -72.5(3) . . . . ?
C37 C35 C38 F33 166.1(3) . . . . ?
C36 C35 C38 F33 46.7(4) . . . . ?
O8 C35 C38 F32 166.6(3) . . . . ?
C37 C35 C38 F32 45.1(4) . . . . ?
C36 C35 C38 F32 -74.3(4) . . . . ?

_refine_diff_density_max         0.881
_refine_diff_density_min         -0.952
_refine_diff_density_rms         0.090



_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: Dichloromethane'
_chemical_properties_physical    
Air-sensitive,Moisture-sensitive,Oxygen-sensitive
_exptl_crystal_preparation       'Magnetic properties'
####################################################################### 
# 
# 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_1_a_CCDC1
_database_code_depnum_ccdc_archive 'CCDC 2159585'
loop_
_audit_author_name
_audit_author_address
'Yue Zhao'
;Nanjing University
China
;
_audit_update_record             
;
2022-04-19 deposited with the CCDC.	2022-05-05 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C46 H38 Ag Cl4 F18 N2 O9 Sb3'
_chemical_formula_weight         1719.70

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'

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

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

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

_cell_length_a                   12.0834(14)
_cell_length_b                   14.7801(15)
_cell_length_c                   16.8572(18)
_cell_angle_alpha                90.257(3)
_cell_angle_beta                 110.805(3)
_cell_angle_gamma                99.213(3)
_cell_volume                     2771.8(5)
_cell_formula_units_Z            2
_cell_measurement_temperature    130(2)
_cell_measurement_reflns_used    7066
_cell_measurement_theta_min      2.49
_cell_measurement_theta_max      26.87

_exptl_crystal_description       block
_exptl_crystal_colour            'dark brown'
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.060
_exptl_crystal_F_000             1660
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.120
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.100
_exptl_absorpt_coefficient_mu    2.103
_shelx_estimated_absorpt_T_min   0.786
_shelx_estimated_absorpt_T_max   0.817
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.791
_exptl_absorpt_correction_T_max  0.821
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0990 before and 0.0547 after correction.
Estimated minimum and maximum transmission were 0.0242 and 0.0468.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      130(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker D8 VENTURE TXS PHOTON 100'
_diffrn_measurement_method       'ω and φ shutterless scans'
_diffrn_detector_area_resol_mean 7.41
_diffrn_reflns_number            23416
_diffrn_reflns_av_unetI/netI     0.0601
_diffrn_reflns_av_R_equivalents  0.0318
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         1.969
_diffrn_reflns_theta_max         27.520
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measured_fraction_theta_full 0.991
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_Laue_measured_fraction_full 0.991
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_point_group_measured_fraction_full 0.991
_reflns_number_total             12621
_reflns_number_gt                7912
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Bruker BIS V6.2.1'
_computing_cell_refinement       'ShelXL 2018/3 (Sheldrick, 2015)'
_computing_data_reduction        'SAINT V8.40B (Bruker, 2019)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0910P)²+16.9526P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         12621
_refine_ls_number_parameters     774
_refine_ls_number_restraints     93
_refine_ls_R_factor_all          0.1197
_refine_ls_R_factor_gt           0.0779
_refine_ls_wR_factor_ref         0.2236
_refine_ls_wR_factor_gt          0.2002
_refine_ls_goodness_of_fit_ref   1.082
_refine_ls_restrained_S_all      1.082
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Sb1 Sb 0.14791(7) 0.19023(5) 0.21451(4) 0.0569(2) Uani 1 1 d . . . A 23
Sb2 Sb 0.26275(6) 0.35928(5) 0.81973(5) 0.0538(2) Uani 1 1 d . . . B 23
Ag1 Ag 0.49881(7) 0.12495(5) 0.56682(5) 0.0518(2) Uani 1 1 d . . . C 23
Sb3 Sb 0.75951(8) 0.21498(6) 0.44264(7) 0.0769(3) Uani 1 1 d . . . D 23
O2 O 0.2961(5) 0.0626(4) 0.4659(4) 0.0446(14) Uani 1 1 d . . . C 23
O008 O 0.5334(6) 0.7573(4) 0.5505(4) 0.0461(15) Uani 1 1 d . . . C 23
O009 O 0.5379(6) 0.2825(4) 0.6187(4) 0.0503(16) Uani 1 1 d . . . C 23
F1 F 0.0234(6) 0.1355(5) 0.2491(5) 0.083(2) Uani 1 1 d . . . A 23
F8 F 0.3330(7) 0.2544(5) 0.8508(5) 0.084(2) Uani 1 1 d . . . B 23
O4 O -0.4238(7) -0.0269(5) -0.0741(5) 0.065(2) Uani 1 1 d . . . C 23
O1 O -0.3235(6) -0.1109(6) 0.3722(4) 0.065(2) Uani 1 1 d . . . C 23
F10 F 0.1803(7) 0.3287(5) 0.8932(5) 0.082(2) Uani 1 1 d . . . B 23
N00F N 0.5883(6) 0.5612(5) 0.8071(4) 0.0392(16) Uani 1 1 d . . . C 23
F9 F 0.1403(6) 0.2867(5) 0.7313(5) 0.082(2) Uani 1 1 d . . . B 23
O00H O 0.9188(7) 0.3633(5) 1.0071(5) 0.0629(19) Uani 1 1 d . . . C 23
N1 N -0.0427(6) -0.0919(5) 0.2053(4) 0.0392(16) Uani 1 1 d . . . C 23
O00J O 0.3182(7) 0.7640(5) 0.9159(5) 0.0614(19) Uani 1 1 d . . . C 23
F4 F 0.2714(7) 0.2437(5) 0.1781(4) 0.083(2) Uani 1 1 d . . . A 23
F12 F 0.3841(7) 0.4318(5) 0.9078(4) 0.088(2) Uani 1 1 d . . . B 23
F5 F 0.2237(7) 0.0878(5) 0.2451(5) 0.089(2) Uani 1 1 d . . . A 23
F7 F 0.3526(8) 0.3870(6) 0.7514(5) 0.095(2) Uani 1 1 d . . . B 23
F2 F 0.0750(7) 0.2928(5) 0.1837(6) 0.097(2) Uani 1 1 d . . . A 23
F3 F 0.2314(7) 0.2437(7) 0.3226(4) 0.098(3) Uani 1 1 d . . . A 23
C7 C -0.0323(7) -0.0673(6) 0.2897(5) 0.0355(17) Uani 1 1 d . . . C 23
O3 O 0.5531(8) -0.0119(6) 0.6229(6) 0.078(2) Uani 1 1 d . . . C 23
H3E H 0.480577 -0.055801 0.617808 0.117 Uiso 1 1 d R U . C 23
H3F H 0.596369 -0.037318 0.591104 0.117 Uiso 1 1 d R U . C 23
F11 F 0.1881(7) 0.4587(5) 0.7894(6) 0.096(2) Uani 1 1 d . . . B 23
C2 C -0.1178(7) -0.0591(5) 0.3983(5) 0.0344(17) Uani 1 1 d . . . C 23
F6 F 0.0630(8) 0.1351(6) 0.1054(5) 0.107(3) Uani 1 1 d . . . A 23
C3 C -0.0070(7) -0.0146(5) 0.4568(5) 0.0345(17) Uani 1 1 d . . . C 23
C00W C 0.5290(8) 0.4390(6) 0.6007(5) 0.0389(18) Uani 1 1 d . . . C 23
C8 C -0.1307(7) -0.0863(6) 0.3146(5) 0.0369(18) Uani 1 1 d . . . C 23
H8 H -0.205825 -0.117255 0.275949 0.044 Uiso 1 1 calc R U . C 23
C4 C 0.0916(7) 0.0001(5) 0.4289(5) 0.0325(16) Uani 1 1 d . . . C 23
F17 F 0.6889(8) 0.1526(6) 0.5142(6) 0.104(3) Uani 1 1 d . . . D 23
C010 C 0.5237(8) 0.5994(6) 0.5795(5) 0.0388(18) Uani 1 1 d . . . C 23
C011 C 0.5136(7) 0.5092(6) 0.5447(5) 0.0375(18) Uani 1 1 d . . . C 23
C012 C 0.6771(8) 0.5173(6) 0.8611(5) 0.0411(19) Uani 1 1 d . . . C 23
C013 C 0.5193(8) 0.6128(6) 0.8337(5) 0.0377(18) Uani 1 1 d . . . C 23
C014 C 0.7758(8) 0.5071(6) 0.8395(6) 0.045(2) Uani 1 1 d . . . C 23
H014 H 0.785445 0.535323 0.791300 0.053 Uiso 1 1 calc R U . C 23
F16 F 0.6118(9) 0.1892(9) 0.3549(7) 0.147(3) Uani 1 1 d . . . D 23
C6 C 0.0798(8) -0.0255(6) 0.3473(5) 0.0374(18) Uani 1 1 d . . . C 23
H6 H 0.147475 -0.014820 0.330302 0.045 Uiso 1 1 calc R U . C 23
C5 C 0.2091(7) 0.0473(6) 0.4856(5) 0.0361(17) Uani 1 1 d . . . C 23
F13 F 0.9066(8) 0.2348(7) 0.5365(7) 0.129(4) Uani 1 1 d . . . D 23
O5 O 0.3482(9) -0.2376(8) 0.1887(6) 0.096(3) Uani 1 1 d . . . C 23
C1 C -0.2256(8) -0.0761(6) 0.4212(6) 0.043(2) Uani 1 1 d . . . C 23
C01B C 0.8589(8) 0.4571(6) 0.8869(5) 0.043(2) Uani 1 1 d . . . C 23
H01B H 0.925167 0.449433 0.871294 0.051 Uiso 1 1 calc R U . C 23
C01C C 0.5154(8) 0.6785(6) 0.5252(5) 0.0405(19) Uani 1 1 d . . . C 23
C16 C -0.1387(8) -0.0782(6) 0.1348(6) 0.0417(19) Uani 1 1 d . . . C 23
C01E C 0.6668(8) 0.4810(6) 0.9349(6) 0.044(2) Uani 1 1 d . . . C 23
H01E H 0.601512 0.489659 0.951393 0.053 Uiso 1 1 calc R U . C 23
C01F C 0.5201(8) 0.3434(6) 0.5710(5) 0.0404(19) Uani 1 1 d . . . C 23
C17 C -0.1665(9) -0.1278(6) 0.0589(5) 0.044(2) Uani 1 1 d . . . C 23
H17 H -0.120857 -0.173574 0.055962 0.053 Uiso 1 1 calc R U . C 23
C19 C -0.3297(10) -0.0461(7) -0.0075(6) 0.053(2) Uani 1 1 d . . . C 23
C01I C 0.5459(8) 0.6159(6) 0.6644(5) 0.0403(19) Uani 1 1 d . . . C 23
H01I H 0.550839 0.676329 0.686278 0.048 Uiso 1 1 calc R U . C 23
C01J C 0.3784(9) 0.7116(7) 0.8835(7) 0.053(2) Uani 1 1 d . . . C 23
C01K C 0.5658(8) 0.6608(6) 0.9134(5) 0.044(2) Uani 1 1 d . . . C 23
H01K H 0.646025 0.659426 0.949954 0.053 Uiso 1 1 calc R U . C 23
C01L C 0.5611(8) 0.5448(6) 0.7183(5) 0.042(2) Uani 1 1 d . . . C 23
C01M C 0.3996(8) 0.6151(6) 0.7811(6) 0.047(2) Uani 1 1 d . . . C 23
H01M H 0.366623 0.581436 0.727411 0.057 Uiso 1 1 calc R U . C 23
C9 C 0.0567(8) -0.1273(6) 0.1966(6) 0.044(2) Uani 1 1 d . . . C 23
C18 C -0.2600(9) -0.1121(6) -0.0134(6) 0.051(2) Uani 1 1 d . . . C 23
H18 H -0.276776 -0.145182 -0.066012 0.062 Uiso 1 1 calc R U . C 23
C01P C 0.5546(9) 0.4567(6) 0.6881(6) 0.048(2) Uani 1 1 d . . . C 23
H01P H 0.567288 0.408547 0.725703 0.058 Uiso 1 1 calc R U . C 23
C01Q C 0.4963(9) 0.7096(6) 0.9388(6) 0.049(2) Uani 1 1 d . . . C 23
H01Q H 0.527169 0.741816 0.993222 0.059 Uiso 1 1 calc R U . C 23
C01R C 0.8452(9) 0.4179(6) 0.9575(6) 0.050(2) Uani 1 1 d . . . C 23
C20 C -0.3038(9) 0.0024(7) 0.0687(6) 0.054(2) Uani 1 1 d . . . C 23
H20 H -0.352850 0.045231 0.072228 0.065 Uiso 1 1 calc R U . C 23
C13 C 0.2041(11) -0.1355(8) 0.1307(8) 0.070(4) Uani 1 1 d . . . C 23
H13 H 0.238707 -0.117248 0.089456 0.085 Uiso 1 1 calc R U . C 23
C01U C 0.3319(9) 0.6633(7) 0.8052(6) 0.051(2) Uani 1 1 d . . . C 23
H01U H 0.251618 0.664572 0.768618 0.062 Uiso 1 1 calc R U . C 23
C01V C 0.7515(9) 0.4330(7) 0.9830(6) 0.050(2) Uani 1 1 d . . . C 23
H01V H 0.746622 0.409721 1.034331 0.060 Uiso 1 1 calc R U . C 23
C21 C -0.2082(9) -0.0100(6) 0.1397(6) 0.047(2) Uani 1 1 d . . . C 23
H21 H -0.188648 0.026015 0.191152 0.057 Uiso 1 1 calc R U . C 23
F15 F 0.7960(11) 0.1089(8) 0.4160(6) 0.138(4) Uani 1 1 d . . . D 23
C10 C 0.1099(9) -0.1889(8) 0.2524(6) 0.057(3) Uani 1 1 d . . . C 23
H10 H 0.079611 -0.206171 0.296056 0.068 Uiso 1 1 calc R U . C 23
F18 F 0.7175(8) 0.3208(6) 0.4777(10) 0.165(6) Uani 1 1 d . . . D 23
C14 C 0.1018(11) -0.0987(8) 0.1342(7) 0.062(3) Uani 1 1 d . . . C 23
H14 H 0.066600 -0.056155 0.094971 0.074 Uiso 1 1 calc R U . C 23
C12 C 0.2499(11) -0.1979(9) 0.1890(9) 0.073(3) Uani 1 1 d . . . C 23
C022 C 1.0120(10) 0.3402(7) 0.9812(7) 0.060(3) Uani 1 1 d . . . C 23
H02A H 0.979197 0.322413 0.920146 0.089 Uiso 1 1 calc R U . C 23
H02B H 1.044000 0.288889 1.012812 0.089 Uiso 1 1 calc R U . C 23
H02C H 1.076517 0.393512 0.992958 0.089 Uiso 1 1 calc R U . C 23
F14 F 0.8285(9) 0.2769(10) 0.3788(7) 0.147(3) Uani 1 1 d . . . D 23
C11 C 0.2041(11) -0.2266(10) 0.2483(8) 0.072(3) Uani 1 1 d . . . C 23
H11 H 0.236041 -0.271456 0.285962 0.086 Uiso 1 1 calc R U . C 23
C025 C 0.1913(10) 0.7635(9) 0.8658(8) 0.075(3) Uani 1 1 d . . . C 23
H02D H 0.183031 0.782575 0.808715 0.113 Uiso 1 1 calc R U . C 23
H02E H 0.159985 0.806126 0.893700 0.113 Uiso 1 1 calc R U . C 23
H02F H 0.145738 0.701356 0.861614 0.113 Uiso 1 1 calc R U . C 23
C22 C -0.4502(11) -0.0688(9) -0.1578(7) 0.070(3) Uani 1 1 d . . . C 23
H22A H -0.507928 -0.037709 -0.200197 0.106 Uiso 1 1 calc R U . C 23
H22B H -0.484668 -0.133883 -0.159943 0.106 Uiso 1 1 calc R U . C 23
H22C H -0.376012 -0.063290 -0.169947 0.106 Uiso 1 1 calc R U . C 23
C15 C 0.4024(16) -0.2084(12) 0.1331(12) 0.109(5) Uani 1 1 d . . . C 23
H15A H 0.355515 -0.239143 0.076721 0.163 Uiso 1 1 calc R U . C 23
H15B H 0.483621 -0.223262 0.152571 0.163 Uiso 1 1 calc R U . C 23
H15C H 0.407045 -0.141822 0.129704 0.163 Uiso 1 1 calc R U . C 23
Cl1 Cl 0.2141(5) 0.4647(4) 0.5604(3) 0.1309(17) Uani 1 1 d . U . E 23
Cl2 Cl 0.2111(5) 0.2884(4) 0.4901(4) 0.148(2) Uani 1 1 d . U . E 23
C23 C 0.165(2) 0.3463(14) 0.5524(14) 0.145(6) Uani 1 1 d . U . E 23
H23A H 0.192848 0.323261 0.610022 0.174 Uiso 1 1 calc R U . E 23
H23B H 0.075647 0.334240 0.530561 0.174 Uiso 1 1 calc R U . E 23
Cl4 Cl 0.0498(15) 0.4276(10) 0.3082(12) 0.207(5) Uani 0.539(10) 1 d D U P F 1
Cl3 Cl 0.1567(19) 0.6120(11) 0.3397(16) 0.248(7) Uani 0.539(10) 1 d D U P F 1
C25 C 0.057(7) 0.529(2) 0.353(6) 0.221(7) Uani 0.539(10) 1 d D U P F 1
H25A H -0.023715 0.547520 0.329805 0.265 Uiso 0.539(10) 1 calc R U P F 1
H25B H 0.075937 0.523596 0.415099 0.265 Uiso 0.539(10) 1 calc R U P F 1
Cl1A Cl -0.0327(17) 0.4330(15) 0.3707(15) 0.240(7) Uani 0.461(10) 1 d D U P F 2
C24 C 0.048(6) 0.5366(18) 0.377(7) 0.220(7) Uani 0.461(10) 1 d D U P F 2
H24A H -0.005882 0.577013 0.341424 0.264 Uiso 0.461(10) 1 calc R U P F 2
H24B H 0.078165 0.562411 0.436243 0.264 Uiso 0.461(10) 1 calc R U P F 2
Cl4A Cl 0.1628(17) 0.5385(15) 0.3450(15) 0.203(6) Uani 0.461(10) 1 d D U P F 2


_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 F3 1.841(7) . ?
Sb1 F2 1.858(8) . ?
Sb1 F6 1.865(7) . ?
Sb1 F1 1.870(6) . ?
Sb1 F4 1.871(6) . ?
Sb1 F5 1.874(7) . ?
Sb2 F11 1.827(8) . ?
Sb2 F7 1.851(7) . ?
Sb2 F12 1.854(6) . ?
Sb2 F10 1.862(7) . ?
Sb2 F9 1.864(6) . ?
Sb2 F8 1.874(7) . ?
Ag1 O3 2.328(8) . ?
Ag1 O009 2.397(6) . ?
Ag1 O2 2.459(6) . ?
Sb3 F14 1.760(12) . ?
Sb3 F15 1.792(9) . ?
Sb3 F16 1.849(10) . ?
Sb3 F18 1.875(10) . ?
Sb3 F17 1.878(8) . ?
Sb3 F13 1.892(9) . ?
O2 C5 1.200(9) . ?
O008 C01C 1.197(10) . ?
O009 C01F 1.204(10) . ?
O4 C19 1.354(12) . ?
O4 C22 1.443(13) . ?
O1 C1 1.205(11) . ?
N00F C012 1.390(11) . ?
N00F C013 1.395(11) . ?
N00F C01L 1.425(10) . ?
O00H C01R 1.358(11) . ?
O00H C022 1.430(12) . ?
N1 C16 1.378(11) . ?
N1 C7 1.424(10) . ?
N1 C9 1.436(11) . ?
O00J C01J 1.373(12) . ?
O00J C025 1.463(13) . ?
C7 C8 1.385(11) . ?
C7 C6 1.396(11) . ?
O3 H3E 0.9800 . ?
O3 H3F 0.9800 . ?
C2 C3 1.404(11) . ?
C2 C8 1.412(11) . ?
C2 C1 1.471(11) . ?
C3 C4 1.415(11) . ?
C3 C3 1.459(16) 2_556 ?
C00W C011 1.395(12) . ?
C00W C01P 1.407(12) . ?
C00W C01F 1.472(12) . ?
C8 H8 0.9500 . ?
C4 C6 1.376(11) . ?
C4 C5 1.459(11) . ?
C010 C01I 1.373(12) . ?
C010 C011 1.423(12) . ?
C010 C01C 1.482(12) . ?
C011 C011 1.439(16) 2_666 ?
C012 C014 1.393(13) . ?
C012 C01E 1.396(12) . ?
C013 C01K 1.397(12) . ?
C013 C01M 1.409(12) . ?
C014 C01B 1.366(13) . ?
C014 H014 0.9500 . ?
C6 H6 0.9500 . ?
C5 C1 1.560(12) 2_556 ?
O5 C15 1.358(17) . ?
O5 C12 1.408(15) . ?
C01B C01R 1.377(13) . ?
C01B H01B 0.9500 . ?
C01C C01F 1.542(11) 2_666 ?
C16 C17 1.377(12) . ?
C16 C21 1.430(13) . ?
C01E C01V 1.363(13) . ?
C01E H01E 0.9500 . ?
C17 C18 1.387(13) . ?
C17 H17 0.9500 . ?
C19 C20 1.376(14) . ?
C19 C18 1.413(14) . ?
C01I C01L 1.384(12) . ?
C01I H01I 0.9500 . ?
C01J C01U 1.380(14) . ?
C01J C01Q 1.403(14) . ?
C01K C01Q 1.362(13) . ?
C01K H01K 0.9500 . ?
C01L C01P 1.375(13) . ?
C01M C01U 1.327(14) . ?
C01M H01M 0.9500 . ?
C9 C10 1.376(14) . ?
C9 C14 1.385(14) . ?
C18 H18 0.9500 . ?
C01P H01P 0.9500 . ?
C01Q H01Q 0.9500 . ?
C01R C01V 1.394(14) . ?
C20 C21 1.374(13) . ?
C20 H20 0.9500 . ?
C13 C12 1.382(18) . ?
C13 C14 1.448(16) . ?
C13 H13 0.9500 . ?
C01U H01U 0.9500 . ?
C01V H01V 0.9500 . ?
C21 H21 0.9500 . ?
C10 C11 1.368(14) . ?
C10 H10 0.9500 . ?
C14 H14 0.9500 . ?
C12 C11 1.344(18) . ?
C022 H02A 0.9800 . ?
C022 H02B 0.9800 . ?
C022 H02C 0.9800 . ?
C11 H11 0.9500 . ?
C025 H02D 0.9800 . ?
C025 H02E 0.9800 . ?
C025 H02F 0.9800 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
Cl1 C23 1.74(2) . ?
Cl2 C23 1.648(19) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
Cl4 C25 1.660(9) . ?
Cl3 C25 1.654(9) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
Cl1A C24 1.658(9) . ?
C24 Cl4A 1.655(9) . ?
C24 H24A 0.9900 . ?
C24 H24B 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
F3 Sb1 F2 90.4(4) . . ?
F3 Sb1 F6 179.5(4) . . ?
F2 Sb1 F6 89.9(4) . . ?
F3 Sb1 F1 90.1(4) . . ?
F2 Sb1 F1 90.9(3) . . ?
F6 Sb1 F1 89.6(4) . . ?
F3 Sb1 F4 90.9(3) . . ?
F2 Sb1 F4 89.3(4) . . ?
F6 Sb1 F4 89.4(3) . . ?
F1 Sb1 F4 179.0(3) . . ?
F3 Sb1 F5 89.6(4) . . ?
F2 Sb1 F5 179.0(3) . . ?
F6 Sb1 F5 90.1(4) . . ?
F1 Sb1 F5 90.1(3) . . ?
F4 Sb1 F5 89.7(3) . . ?
F11 Sb2 F7 92.5(4) . . ?
F11 Sb2 F12 89.4(4) . . ?
F7 Sb2 F12 88.9(3) . . ?
F11 Sb2 F10 90.4(4) . . ?
F7 Sb2 F10 176.5(4) . . ?
F12 Sb2 F10 89.2(3) . . ?
F11 Sb2 F9 90.4(3) . . ?
F7 Sb2 F9 91.3(4) . . ?
F12 Sb2 F9 179.7(4) . . ?
F10 Sb2 F9 90.6(3) . . ?
F11 Sb2 F8 177.5(3) . . ?
F7 Sb2 F8 89.4(4) . . ?
F12 Sb2 F8 92.2(4) . . ?
F10 Sb2 F8 87.7(3) . . ?
F9 Sb2 F8 88.0(3) . . ?
O3 Ag1 O009 136.2(3) . . ?
O3 Ag1 O2 98.4(3) . . ?
O009 Ag1 O2 117.7(2) . . ?
F14 Sb3 F15 92.6(6) . . ?
F14 Sb3 F16 93.1(5) . . ?
F15 Sb3 F16 90.2(5) . . ?
F14 Sb3 F18 92.2(6) . . ?
F15 Sb3 F18 175.1(6) . . ?
F16 Sb3 F18 90.5(5) . . ?
F14 Sb3 F17 177.7(5) . . ?
F15 Sb3 F17 89.0(5) . . ?
F16 Sb3 F17 88.6(5) . . ?
F18 Sb3 F17 86.2(5) . . ?
F14 Sb3 F13 90.8(5) . . ?
F15 Sb3 F13 88.5(5) . . ?
F16 Sb3 F13 176.0(5) . . ?
F18 Sb3 F13 90.5(5) . . ?
F17 Sb3 F13 87.6(4) . . ?
C5 O2 Ag1 123.5(5) . . ?
C01F O009 Ag1 121.6(6) . . ?
C19 O4 C22 119.9(9) . . ?
C012 N00F C013 124.7(7) . . ?
C012 N00F C01L 116.3(7) . . ?
C013 N00F C01L 118.9(7) . . ?
C01R O00H C022 117.9(8) . . ?
C16 N1 C7 122.7(7) . . ?
C16 N1 C9 120.9(7) . . ?
C7 N1 C9 116.3(7) . . ?
C01J O00J C025 117.3(9) . . ?
C8 C7 C6 120.8(7) . . ?
C8 C7 N1 120.6(7) . . ?
C6 C7 N1 118.6(7) . . ?
Ag1 O3 H3E 109.3 . . ?
Ag1 O3 H3F 109.2 . . ?
H3E O3 H3F 109.5 . . ?
C3 C2 C8 121.3(7) . . ?
C3 C2 C1 121.0(7) . . ?
C8 C2 C1 117.6(7) . . ?
C2 C3 C4 117.2(7) . . ?
C011 C00W C01P 121.5(8) . . ?
C011 C00W C01F 121.4(7) . . ?
C01P C00W C01F 117.1(8) . . ?
C7 C8 C2 119.1(7) . . ?
C7 C8 H8 120.5 . . ?
C2 C8 H8 120.5 . . ?
C6 C4 C3 121.9(7) . . ?
C6 C4 C5 117.6(7) . . ?
C3 C4 C5 120.4(7) . . ?
C01I C010 C011 121.0(8) . . ?
C01I C010 C01C 118.3(8) . . ?
C011 C010 C01C 120.6(7) . . ?
C00W C011 C010 117.2(7) . . ?
N00F C012 C014 119.4(8) . . ?
N00F C012 C01E 120.9(8) . . ?
C014 C012 C01E 119.7(8) . . ?
N00F C013 C01K 121.0(8) . . ?
N00F C013 C01M 120.2(8) . . ?
C01K C013 C01M 118.8(8) . . ?
C01B C014 C012 120.8(8) . . ?
C01B C014 H014 119.6 . . ?
C012 C014 H014 119.6 . . ?
C4 C6 C7 119.6(8) . . ?
C4 C6 H6 120.2 . . ?
C7 C6 H6 120.2 . . ?
O2 C5 C4 123.8(8) . . ?
C15 O5 C12 118.2(12) . . ?
O1 C1 C2 123.5(8) . . ?
C014 C01B C01R 119.2(9) . . ?
C014 C01B H01B 120.4 . . ?
C01R C01B H01B 120.4 . . ?
O008 C01C C010 125.0(8) . . ?
O008 C01C C01F 118.1(8) . 2_666 ?
C010 C01C C01F 116.9(7) . 2_666 ?
C17 C16 N1 120.6(8) . . ?
C17 C16 C21 119.6(8) . . ?
N1 C16 C21 119.8(8) . . ?
C01V C01E C012 119.1(9) . . ?
C01V C01E H01E 120.4 . . ?
C012 C01E H01E 120.4 . . ?
O009 C01F C00W 122.5(8) . . ?
C16 C17 C18 121.1(9) . . ?
C16 C17 H17 119.4 . . ?
C18 C17 H17 119.4 . . ?
O4 C19 C20 116.6(10) . . ?
O4 C19 C18 123.2(9) . . ?
C20 C19 C18 120.2(9) . . ?
C010 C01I C01L 120.3(8) . . ?
C010 C01I H01I 119.9 . . ?
C01L C01I H01I 119.9 . . ?
O00J C01J C01U 125.6(9) . . ?
O00J C01J C01Q 113.5(9) . . ?
C01U C01J C01Q 120.9(9) . . ?
C01Q C01K C013 120.2(9) . . ?
C01Q C01K H01K 119.9 . . ?
C013 C01K H01K 119.9 . . ?
C01P C01L C01I 120.9(8) . . ?
C01P C01L N00F 118.0(8) . . ?
C01I C01L N00F 121.0(8) . . ?
C01U C01M C013 121.3(9) . . ?
C01U C01M H01M 119.4 . . ?
C013 C01M H01M 119.4 . . ?
C10 C9 C14 119.5(9) . . ?
C10 C9 N1 119.5(8) . . ?
C14 C9 N1 121.0(10) . . ?
C17 C18 C19 118.8(9) . . ?
C17 C18 H18 120.6 . . ?
C19 C18 H18 120.6 . . ?
C01L C01P C00W 119.1(8) . . ?
C01L C01P H01P 120.5 . . ?
C00W C01P H01P 120.5 . . ?
C01K C01Q C01J 119.0(9) . . ?
C01K C01Q H01Q 120.5 . . ?
C01J C01Q H01Q 120.5 . . ?
O00H C01R C01B 124.4(9) . . ?
O00H C01R C01V 115.2(8) . . ?
C01B C01R C01V 120.5(9) . . ?
C21 C20 C19 121.3(10) . . ?
C21 C20 H20 119.3 . . ?
C19 C20 H20 119.3 . . ?
C12 C13 C14 118.1(10) . . ?
C12 C13 H13 121.0 . . ?
C14 C13 H13 121.0 . . ?
C01M C01U C01J 119.8(9) . . ?
C01M C01U H01U 120.1 . . ?
C01J C01U H01U 120.1 . . ?
C01E C01V C01R 120.5(9) . . ?
C01E C01V H01V 119.7 . . ?
C01R C01V H01V 119.7 . . ?
C20 C21 C16 118.9(9) . . ?
C20 C21 H21 120.6 . . ?
C16 C21 H21 120.6 . . ?
C11 C10 C9 123.3(11) . . ?
C11 C10 H10 118.3 . . ?
C9 C10 H10 118.3 . . ?
C9 C14 C13 118.0(11) . . ?
C9 C14 H14 121.0 . . ?
C13 C14 H14 121.0 . . ?
C11 C12 C13 123.5(12) . . ?
C11 C12 O5 115.1(12) . . ?
C13 C12 O5 121.3(12) . . ?
O00H C022 H02A 109.5 . . ?
O00H C022 H02B 109.5 . . ?
H02A C022 H02B 109.5 . . ?
O00H C022 H02C 109.5 . . ?
H02A C022 H02C 109.5 . . ?
H02B C022 H02C 109.5 . . ?
C12 C11 C10 117.6(12) . . ?
C12 C11 H11 121.2 . . ?
C10 C11 H11 121.2 . . ?
O00J C025 H02D 109.5 . . ?
O00J C025 H02E 109.5 . . ?
H02D C025 H02E 109.5 . . ?
O00J C025 H02F 109.5 . . ?
H02D C025 H02F 109.5 . . ?
H02E C025 H02F 109.5 . . ?
O4 C22 H22A 109.5 . . ?
O4 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
O4 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
O5 C15 H15A 109.5 . . ?
O5 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
O5 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
Cl2 C23 Cl1 114.1(13) . . ?
Cl2 C23 H23A 108.7 . . ?
Cl1 C23 H23A 108.7 . . ?
Cl2 C23 H23B 108.7 . . ?
Cl1 C23 H23B 108.7 . . ?
H23A C23 H23B 107.6 . . ?
Cl3 C25 Cl4 114.3(9) . . ?
Cl3 C25 H25A 108.7 . . ?
Cl4 C25 H25A 108.7 . . ?
Cl3 C25 H25B 108.7 . . ?
Cl4 C25 H25B 108.7 . . ?
H25A C25 H25B 107.6 . . ?
Cl4A C24 Cl1A 114.4(9) . . ?
Cl4A C24 H24A 108.7 . . ?
Cl1A C24 H24A 108.7 . . ?
Cl4A C24 H24B 108.7 . . ?
Cl1A C24 H24B 108.7 . . ?
H24A C24 H24B 107.6 . . ?

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
C16 N1 C7 C8 43.4(12) . . . . ?
C9 N1 C7 C8 -140.2(8) . . . . ?
C16 N1 C7 C6 -138.1(8) . . . . ?
C9 N1 C7 C6 38.3(11) . . . . ?
C8 C2 C3 C4 -1.2(11) . . . . ?
C1 C2 C3 C4 -179.1(7) . . . . ?
C8 C2 C3 C3 179.4(9) . . . 2_556 ?
C1 C2 C3 C3 1.5(14) . . . 2_556 ?
C6 C7 C8 C2 2.9(12) . . . . ?
N1 C7 C8 C2 -178.6(7) . . . . ?
C3 C2 C8 C7 -1.0(12) . . . . ?
C1 C2 C8 C7 176.9(8) . . . . ?
C2 C3 C4 C6 1.8(11) . . . . ?
C3 C3 C4 C6 -178.8(9) 2_556 . . . ?
C2 C3 C4 C5 178.9(7) . . . . ?
C3 C3 C4 C5 -1.7(13) 2_556 . . . ?
C01P C00W C011 C010 -0.6(13) . . . . ?
C01F C00W C011 C010 179.9(8) . . . . ?
C01P C00W C011 C011 -179.4(10) . . . 2_666 ?
C01F C00W C011 C011 1.1(15) . . . 2_666 ?
C01I C010 C011 C00W -1.0(13) . . . . ?
C01C C010 C011 C00W 176.6(8) . . . . ?
C01I C010 C011 C011 177.8(10) . . . 2_666 ?
C01C C010 C011 C011 -4.6(15) . . . 2_666 ?
C013 N00F C012 C014 -148.9(8) . . . . ?
C01L N00F C012 C014 36.5(11) . . . . ?
C013 N00F C012 C01E 33.2(13) . . . . ?
C01L N00F C012 C01E -141.5(8) . . . . ?
C012 N00F C013 C01K 30.7(12) . . . . ?
C01L N00F C013 C01K -154.8(8) . . . . ?
C012 N00F C013 C01M -147.4(8) . . . . ?
C01L N00F C013 C01M 27.0(11) . . . . ?
N00F C012 C014 C01B -173.9(8) . . . . ?
C01E C012 C014 C01B 4.1(13) . . . . ?
C3 C4 C6 C7 0.0(12) . . . . ?
C5 C4 C6 C7 -177.2(7) . . . . ?
C8 C7 C6 C4 -2.4(12) . . . . ?
N1 C7 C6 C4 179.1(7) . . . . ?
Ag1 O2 C5 C4 -172.2(6) . . . . ?
Ag1 O2 C5 C1 4.9(10) . . . 2_556 ?
C6 C4 C5 O2 -2.2(12) . . . . ?
C3 C4 C5 O2 -179.4(8) . . . . ?
C6 C4 C5 C1 -179.3(7) . . . 2_556 ?
C3 C4 C5 C1 3.5(11) . . . 2_556 ?
C3 C2 C1 O1 177.2(9) . . . . ?
C8 C2 C1 O1 -0.7(14) . . . . ?
C3 C2 C1 C5 -3.2(12) . . . 2_556 ?
C8 C2 C1 C5 178.9(7) . . . 2_556 ?
C012 C014 C01B C01R -1.2(13) . . . . ?
C01I C010 C01C O008 4.6(14) . . . . ?
C011 C010 C01C O008 -173.0(9) . . . . ?
C01I C010 C01C C01F -175.0(8) . . . 2_666 ?
C011 C010 C01C C01F 7.4(12) . . . 2_666 ?
C7 N1 C16 C17 -158.8(8) . . . . ?
C9 N1 C16 C17 25.1(12) . . . . ?
C7 N1 C16 C21 23.0(12) . . . . ?
C9 N1 C16 C21 -153.2(8) . . . . ?
N00F C012 C01E C01V 175.5(8) . . . . ?
C014 C012 C01E C01V -2.5(14) . . . . ?
Ag1 O009 C01F C00W 172.2(6) . . . . ?
Ag1 O009 C01F C01C -6.8(12) . . . 2_666 ?
C011 C00W C01F O009 176.8(9) . . . . ?
C01P C00W C01F O009 -2.7(14) . . . . ?
C011 C00W C01F C01C -4.1(12) . . . 2_666 ?
C01P C00W C01F C01C 176.4(8) . . . 2_666 ?
N1 C16 C17 C18 -177.4(8) . . . . ?
C21 C16 C17 C18 0.8(14) . . . . ?
C22 O4 C19 C20 174.6(10) . . . . ?
C22 O4 C19 C18 -5.5(15) . . . . ?
C011 C010 C01I C01L 1.2(13) . . . . ?
C01C C010 C01I C01L -176.4(8) . . . . ?
C025 O00J C01J C01U 4.7(15) . . . . ?
C025 O00J C01J C01Q -174.7(9) . . . . ?
N00F C013 C01K C01Q -178.9(8) . . . . ?
C01M C013 C01K C01Q -0.7(13) . . . . ?
C010 C01I C01L C01P 0.2(14) . . . . ?
C010 C01I C01L N00F 177.8(8) . . . . ?
C012 N00F C01L C01P 41.5(11) . . . . ?
C013 N00F C01L C01P -133.4(9) . . . . ?
C012 N00F C01L C01I -136.1(9) . . . . ?
C013 N00F C01L C01I 48.9(12) . . . . ?
N00F C013 C01M C01U 179.6(9) . . . . ?
C01K C013 C01M C01U 1.5(13) . . . . ?
C16 N1 C9 C10 -141.4(9) . . . . ?
C7 N1 C9 C10 42.2(11) . . . . ?
C16 N1 C9 C14 40.2(12) . . . . ?
C7 N1 C9 C14 -136.2(9) . . . . ?
C16 C17 C18 C19 -2.2(14) . . . . ?
O4 C19 C18 C17 -179.0(9) . . . . ?
C20 C19 C18 C17 0.9(15) . . . . ?
C01I C01L C01P C00W -1.7(14) . . . . ?
N00F C01L C01P C00W -179.4(8) . . . . ?
C011 C00W C01P C01L 1.9(14) . . . . ?
C01F C00W C01P C01L -178.5(8) . . . . ?
C013 C01K C01Q C01J -0.7(14) . . . . ?
O00J C01J C01Q C01K -179.1(9) . . . . ?
C01U C01J C01Q C01K 1.5(15) . . . . ?
C022 O00H C01R C01B -4.1(15) . . . . ?
C022 O00H C01R C01V 176.0(9) . . . . ?
C014 C01B C01R O00H 176.8(9) . . . . ?
C014 C01B C01R C01V -3.3(14) . . . . ?
O4 C19 C20 C21 -178.2(9) . . . . ?
C18 C19 C20 C21 1.9(16) . . . . ?
C013 C01M C01U C01J -0.7(15) . . . . ?
O00J C01J C01U C01M 179.9(9) . . . . ?
C01Q C01J C01U C01M -0.8(15) . . . . ?
C012 C01E C01V C01R -2.0(15) . . . . ?
O00H C01R C01V C01E -175.2(9) . . . . ?
C01B C01R C01V C01E 5.0(15) . . . . ?
C19 C20 C21 C16 -3.2(16) . . . . ?
C17 C16 C21 C20 1.9(14) . . . . ?
N1 C16 C21 C20 -179.9(9) . . . . ?
C14 C9 C10 C11 -2.2(16) . . . . ?
N1 C9 C10 C11 179.4(10) . . . . ?
C10 C9 C14 C13 0.0(14) . . . . ?
N1 C9 C14 C13 178.4(8) . . . . ?
C12 C13 C14 C9 0.8(15) . . . . ?
C14 C13 C12 C11 0.5(18) . . . . ?
C14 C13 C12 O5 179.1(10) . . . . ?
C15 O5 C12 C11 -177.0(13) . . . . ?
C15 O5 C12 C13 4.3(19) . . . . ?
C13 C12 C11 C10 -3(2) . . . . ?
O5 C12 C11 C10 178.8(11) . . . . ?
C9 C10 C11 C12 3.4(18) . . . . ?

_refine_diff_density_max         3.375
_refine_diff_density_min         -1.591
_refine_diff_density_rms         0.159



_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: Dichloromethane'
_chemical_properties_physical    
Air-sensitive,Moisture-sensitive,Oxygen-sensitive
_exptl_crystal_preparation       'Magnetic properties'
