# Electronic Supplementary Material (ESI) for New Journal of Chemistry.
# This journal is © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 2019

####################################################################### 
# 
# 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_complex1
_database_code_depnum_ccdc_archive 'CCDC 1893763'
loop_
_audit_author_name
_audit_author_address
'Chunlin Ma'
;Liaocheng University
China
;
_audit_update_record             
;
2019-05-16 deposited with the CCDC.	2019-05-21 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            'C24 H46 F2 O8 Sn4 Te2'
_chemical_formula_weight         1230.57

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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sn Sn -0.6537 1.4246 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Te Te -0.5308 1.6751 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      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                   10.6072(6)
_cell_length_b                   10.6659(6)
_cell_length_c                   18.7874(13)
_cell_angle_alpha                99.6890(15)
_cell_angle_beta                 104.181(2)
_cell_angle_gamma                101.966(2)
_cell_volume                     1961.4(2)
_cell_formula_units_Z            2
_cell_measurement_temperature    298(2)
_cell_measurement_reflns_used    4998
_cell_measurement_theta_min      2.666
_cell_measurement_theta_max      27.172

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.084
_exptl_crystal_F_000             1152
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.430
_exptl_crystal_size_mid          0.270
_exptl_crystal_size_min          0.140
_exptl_absorpt_coefficient_mu    4.020
_shelx_estimated_absorpt_T_min   0.277
_shelx_estimated_absorpt_T_max   0.603
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.283
_exptl_absorpt_correction_T_max  0.570
_exptl_absorpt_process_details   sadabs
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      298(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            10028
_diffrn_reflns_av_unetI/netI     0.0405
_diffrn_reflns_av_R_equivalents  0.0250
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         2.298
_diffrn_reflns_theta_max         25.015
_diffrn_reflns_theta_full        25.015
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measured_fraction_theta_full 0.983
_diffrn_reflns_Laue_measured_fraction_max 0.983
_diffrn_reflns_Laue_measured_fraction_full 0.983
_diffrn_reflns_point_group_measured_fraction_max 0.983
_diffrn_reflns_point_group_measured_fraction_full 0.983
_reflns_number_total             6813
_reflns_number_gt                5338
_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 SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_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)+(0.0474P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         6813
_refine_ls_number_parameters     383
_refine_ls_number_restraints     18
_refine_ls_R_factor_all          0.0491
_refine_ls_R_factor_gt           0.0337
_refine_ls_wR_factor_ref         0.0874
_refine_ls_wR_factor_gt          0.0806
_refine_ls_goodness_of_fit_ref   0.994
_refine_ls_restrained_S_all      1.055
_refine_ls_shift/su_max          0.039
_refine_ls_shift/su_mean         0.001

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
Sn1 Sn -0.01327(5) -0.05841(4) 0.75356(3) 0.05288(14) Uani 1 1 d . U . . .
Sn2 Sn 0.34200(5) 0.20093(4) 0.96879(3) 0.05121(13) Uani 1 1 d . U . . .
Sn3 Sn 0.57012(5) 0.38750(4) 0.29450(2) 0.04427(12) Uani 1 1 d . . . . .
Sn4 Sn 0.46323(4) 0.79324(4) 0.36079(3) 0.04570(13) Uani 1 1 d . . . . .
Te1 Te -0.00132(4) 0.08121(4) 0.94062(2) 0.04239(12) Uani 1 1 d . U . . .
Te2 Te 0.59421(4) 0.58272(3) 0.46637(2) 0.03412(10) Uani 1 1 d . . . . .
F1 F -0.2997(9) 0.4193(8) 0.9894(5) 0.143(3) Uani 0.833(9) 1 d . . P A 1
F2 F 1.0637(7) 0.8895(9) 0.4610(5) 0.106(3) Uani 0.637(7) 1 d . . P B 1
F1' F -0.058(4) 0.503(4) 0.834(3) 0.143(3) Uani 0.167(9) 1 d . . P A 2
F2' F 1.0919(13) 0.6017(15) 0.6212(10) 0.106(3) Uani 0.363(7) 1 d . . P B 2
O1 O -0.0560(4) 0.0742(4) 1.0338(2) 0.0466(10) Uani 1 1 d . . . . .
O2 O -0.1737(5) -0.0382(4) 0.8791(3) 0.0561(12) Uani 1 1 d . . . . .
H2 H -0.186979 -0.105282 0.895006 0.084 Uiso 1 1 calc R U . . .
O3 O 0.0633(4) 0.0705(4) 0.8550(2) 0.0492(11) Uani 1 1 d . . . . .
O4 O 0.1730(4) 0.1908(4) 1.0013(2) 0.0455(10) Uani 1 1 d . . . . .
O5 O 0.5694(4) 0.7416(4) 0.5238(2) 0.0444(10) Uani 1 1 d . . . . .
H5 H 0.519544 0.721009 0.549412 0.067 Uiso 1 1 calc R U . . .
O6 O 0.4000(4) 0.5005(4) 0.4472(2) 0.0371(9) Uani 1 1 d . . . . .
O7 O 0.6100(4) 0.4234(4) 0.4076(2) 0.0394(9) Uani 1 1 d . . . . .
O8 O 0.5626(4) 0.6527(4) 0.3790(2) 0.0397(9) Uani 1 1 d . . . . .
C1 C -0.2089(9) 0.3908(8) 0.9553(5) 0.078(2) Uani 1 1 d . . . . .
H1 H -0.271962 0.409858 0.979267 0.093 Uiso 0.167(9) 1 calc R U P A 2
C2 C -0.1680(8) 0.2776(7) 0.9626(5) 0.069(2) Uani 1 1 d . . . . .
H2A H -0.201477 0.223623 0.991373 0.083 Uiso 1 1 calc R U . . .
C3 C -0.0779(7) 0.2467(6) 0.9268(4) 0.0483(16) Uani 1 1 d . . . . .
C4 C -0.0320(8) 0.3260(7) 0.8830(5) 0.072(2) Uani 1 1 d . . . . .
H4 H 0.026445 0.304167 0.856269 0.086 Uiso 1 1 calc R U . . .
C5 C -0.0759(11) 0.4410(9) 0.8799(6) 0.090(3) Uani 1 1 d . . . . .
H5A H -0.042971 0.496522 0.851600 0.108 Uiso 0.833(9) 1 calc R U P A 1
C6 C -0.1641(9) 0.4747(8) 0.9162(5) 0.076(2) Uani 1 1 d . . . . .
H6 H -0.191726 0.551628 0.914019 0.091 Uiso 1 1 calc R U . . .
C7 C -0.2085(9) -0.0389(9) 0.7019(5) 0.087(3) Uani 1 1 d . . . . .
H7A H -0.274123 -0.094368 0.718148 0.131 Uiso 1 1 calc R U . . .
H7B H -0.228452 -0.064690 0.648068 0.131 Uiso 1 1 calc R U . . .
H7C H -0.210823 0.051120 0.716295 0.131 Uiso 1 1 calc R U . . .
C8 C 0.0066(9) -0.2427(7) 0.7782(5) 0.080(2) Uani 1 1 d . . . . .
H8A H 0.098643 -0.246247 0.786185 0.120 Uiso 1 1 calc R U . . .
H8B H -0.050193 -0.313117 0.736610 0.120 Uiso 1 1 calc R U . . .
H8C H -0.019570 -0.251736 0.822877 0.120 Uiso 1 1 calc R U . . .
C9 C 0.1300(9) 0.0293(8) 0.7014(5) 0.081(2) Uani 1 1 d . . . . .
H9A H 0.142393 0.123045 0.712131 0.122 Uiso 1 1 calc R U . . .
H9B H 0.097322 -0.005517 0.647775 0.122 Uiso 1 1 calc R U . . .
H9C H 0.214402 0.009773 0.720815 0.122 Uiso 1 1 calc R U . . .
C10 C 0.3573(8) 0.0128(8) 0.9185(4) 0.074(2) Uani 1 1 d . . . . .
H10A H 0.449314 0.017231 0.920215 0.111 Uiso 1 1 calc R U . . .
H10B H 0.302116 -0.013543 0.866987 0.111 Uiso 1 1 calc R U . . .
H10C H 0.327271 -0.050389 0.945687 0.111 Uiso 1 1 calc R U . . .
C11 C 0.3486(9) 0.3352(8) 0.8972(5) 0.081(3) Uani 1 1 d . . . . .
H11A H 0.268164 0.307108 0.855396 0.122 Uiso 1 1 calc R U . . .
H11B H 0.425686 0.337521 0.878803 0.122 Uiso 1 1 calc R U . . .
H11C H 0.354989 0.421489 0.925123 0.122 Uiso 1 1 calc R U . . .
C12 C 0.4810(8) 0.2813(8) 1.0783(4) 0.075(2) Uani 1 1 d . . . . .
H12A H 0.469373 0.365475 1.098760 0.112 Uiso 1 1 calc R U . . .
H12B H 0.571277 0.291791 1.074919 0.112 Uiso 1 1 calc R U . . .
H12C H 0.465013 0.222851 1.110714 0.112 Uiso 1 1 calc R U . . .
C13 C 0.8066(6) 0.6595(6) 0.5019(3) 0.0400(14) Uani 1 1 d . . . . .
C14 C 0.8848(7) 0.6060(8) 0.5514(4) 0.066(2) Uani 1 1 d . . . . .
H14 H 0.845259 0.543603 0.574004 0.079 Uiso 1 1 calc R U . . .
C15 C 1.0246(8) 0.6465(9) 0.5674(5) 0.077(2) Uani 1 1 d . . . . .
H15 H 1.077619 0.608817 0.600250 0.092 Uiso 0.637(7) 1 calc R U P B 1
C16 C 1.0849(7) 0.7383(7) 0.5368(4) 0.0625(19) Uani 1 1 d . . . . .
H16 H 1.178083 0.762812 0.547011 0.075 Uiso 1 1 calc R U . . .
C17 C 1.0066(8) 0.7933(8) 0.4912(5) 0.070(2) Uani 1 1 d . . . . .
H17 H 1.047604 0.859888 0.471776 0.085 Uiso 0.363(7) 1 calc R U P B 2
C18 C 0.8658(7) 0.7552(7) 0.4715(4) 0.0577(18) Uani 1 1 d . . . . .
H18 H 0.814066 0.793890 0.438638 0.069 Uiso 1 1 calc R U . . .
C19 C 0.3683(7) 0.3952(7) 0.2501(4) 0.073(2) Uani 1 1 d . . . . .
H19A H 0.327816 0.407070 0.290371 0.109 Uiso 1 1 calc R U . . .
H19B H 0.318407 0.314408 0.213988 0.109 Uiso 1 1 calc R U . . .
H19C H 0.367438 0.467605 0.225959 0.109 Uiso 1 1 calc R U . . .
C20 C 0.5880(8) 0.1887(7) 0.2754(4) 0.069(2) Uani 1 1 d . . . . .
H20A H 0.663505 0.184463 0.256288 0.103 Uiso 1 1 calc R U . . .
H20B H 0.507259 0.132046 0.239280 0.103 Uiso 1 1 calc R U . . .
H20C H 0.601339 0.160626 0.321981 0.103 Uiso 1 1 calc R U . . .
C21 C 0.7260(8) 0.5180(8) 0.2697(4) 0.071(2) Uani 1 1 d . . . . .
H21A H 0.691609 0.585479 0.250011 0.107 Uiso 1 1 calc R U . . .
H21B H 0.757828 0.469686 0.233008 0.107 Uiso 1 1 calc R U . . .
H21C H 0.798950 0.557583 0.315009 0.107 Uiso 1 1 calc R U . . .
C22 C 0.2727(8) 0.7304(8) 0.3788(5) 0.078(2) Uani 1 1 d . . . . .
H22A H 0.220777 0.651584 0.341540 0.117 Uiso 1 1 calc R U . . .
H22B H 0.226076 0.798216 0.374847 0.117 Uiso 1 1 calc R U . . .
H22C H 0.285044 0.713014 0.428218 0.117 Uiso 1 1 calc R U . . .
C23 C 0.5949(8) 0.9750(6) 0.4289(4) 0.067(2) Uani 1 1 d . . . . .
H23A H 0.626117 0.966444 0.479873 0.101 Uiso 1 1 calc R U . . .
H23B H 0.547581 1.042598 0.427857 0.101 Uiso 1 1 calc R U . . .
H23C H 0.670443 0.998150 0.409767 0.101 Uiso 1 1 calc R U . . .
C24 C 0.4536(8) 0.7837(8) 0.2458(4) 0.070(2) Uani 1 1 d . . . . .
H24A H 0.542832 0.798081 0.240516 0.105 Uiso 1 1 calc R U . . .
H24B H 0.413283 0.850301 0.229023 0.105 Uiso 1 1 calc R U . . .
H24C H 0.400166 0.698485 0.215928 0.105 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
Sn1 O3 2.019(4) . ?
Sn1 C7 2.129(8) . ?
Sn1 C8 2.134(7) . ?
Sn1 C9 2.144(7) . ?
Sn2 O4 2.019(4) . ?
Sn2 C11 2.125(7) . ?
Sn2 C10 2.125(7) . ?
Sn2 C12 2.131(7) . ?
Sn3 O7 2.014(4) . ?
Sn3 C19 2.123(7) . ?
Sn3 C21 2.128(7) . ?
Sn3 C20 2.146(6) . ?
Sn4 O8 2.032(4) . ?
Sn4 C22 2.121(7) . ?
Sn4 C24 2.121(7) . ?
Sn4 C23 2.124(6) . ?
Te1 O3 1.893(4) . ?
Te1 O4 1.926(4) . ?
Te1 O2 1.951(4) . ?
Te1 O1 1.973(4) 2_557 ?
Te1 O1 1.982(4) . ?
Te1 C3 2.119(6) . ?
Te1 Te1 3.0446(8) 2_557 ?
Te2 O8 1.899(4) . ?
Te2 O7 1.927(4) . ?
Te2 O5 1.952(4) . ?
Te2 O6 1.972(4) 2_666 ?
Te2 O6 1.981(4) . ?
Te2 C13 2.123(6) . ?
Te2 Te2 3.0382(7) 2_666 ?
F1 C1 1.337(10) . ?
F2 C17 1.360(9) . ?
F1' C5 1.20(4) . ?
F2' C15 1.307(15) . ?
O2 H2 0.8200 . ?
O5 H5 0.8200 . ?
C1 C6 1.335(12) . ?
C1 C2 1.382(10) . ?
C1 H1 0.9300 . ?
C2 C3 1.358(10) . ?
C2 H2A 0.9300 . ?
C3 C4 1.374(9) . ?
C4 C5 1.404(11) . ?
C4 H4 0.9300 . ?
C5 C6 1.358(12) . ?
C5 H5A 0.9300 . ?
C6 H6 0.9300 . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C13 C18 1.367(9) . ?
C13 C14 1.370(9) . ?
C14 C15 1.396(10) . ?
C14 H14 0.9300 . ?
C15 C16 1.345(10) . ?
C15 H15 0.9300 . ?
C16 C17 1.338(10) . ?
C16 H16 0.9300 . ?
C17 C18 1.400(10) . ?
C17 H17 0.9300 . ?
C18 H18 0.9300 . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O3 Sn1 C7 108.6(3) . . ?
O3 Sn1 C8 104.0(3) . . ?
C7 Sn1 C8 119.0(4) . . ?
O3 Sn1 C9 97.0(3) . . ?
C7 Sn1 C9 110.7(4) . . ?
C8 Sn1 C9 114.7(3) . . ?
O4 Sn2 C11 108.2(3) . . ?
O4 Sn2 C10 112.5(3) . . ?
C11 Sn2 C10 113.0(3) . . ?
O4 Sn2 C12 96.6(3) . . ?
C11 Sn2 C12 112.6(3) . . ?
C10 Sn2 C12 112.7(3) . . ?
O7 Sn3 C19 107.1(2) . . ?
O7 Sn3 C21 107.5(2) . . ?
C19 Sn3 C21 118.5(3) . . ?
O7 Sn3 C20 98.0(2) . . ?
C19 Sn3 C20 111.5(3) . . ?
C21 Sn3 C20 112.0(3) . . ?
O8 Sn4 C22 107.4(2) . . ?
O8 Sn4 C24 99.1(2) . . ?
C22 Sn4 C24 113.7(3) . . ?
O8 Sn4 C23 106.5(2) . . ?
C22 Sn4 C23 118.2(3) . . ?
C24 Sn4 C23 109.9(3) . . ?
O3 Te1 O4 89.18(18) . . ?
O3 Te1 O2 90.1(2) . . ?
O4 Te1 O2 176.83(18) . . ?
O3 Te1 O1 93.03(17) . 2_557 ?
O4 Te1 O1 89.09(17) . 2_557 ?
O2 Te1 O1 87.87(18) . 2_557 ?
O3 Te1 O1 172.25(17) . . ?
O4 Te1 O1 89.33(17) . . ?
O2 Te1 O1 91.01(19) . . ?
O1 Te1 O1 79.34(17) 2_557 . ?
O3 Te1 C3 95.9(2) . . ?
O4 Te1 C3 92.2(2) . . ?
O2 Te1 C3 90.9(2) . . ?
O1 Te1 C3 171.0(2) 2_557 . ?
O1 Te1 C3 91.7(2) . . ?
O3 Te1 Te1 132.80(13) . 2_557 ?
O4 Te1 Te1 88.97(12) . 2_557 ?
O2 Te1 Te1 89.28(13) . 2_557 ?
O1 Te1 Te1 39.78(12) 2_557 2_557 ?
O1 Te1 Te1 39.56(11) . 2_557 ?
C3 Te1 Te1 131.29(18) . 2_557 ?
O8 Te2 O7 90.14(16) . . ?
O8 Te2 O5 89.13(17) . . ?
O7 Te2 O5 177.41(17) . . ?
O8 Te2 O6 172.12(16) . 2_666 ?
O7 Te2 O6 89.60(16) . 2_666 ?
O5 Te2 O6 90.79(16) . 2_666 ?
O8 Te2 O6 92.59(16) . . ?
O7 Te2 O6 89.42(16) . . ?
O5 Te2 O6 88.13(16) . . ?
O6 Te2 O6 79.54(16) 2_666 . ?
O8 Te2 C13 96.1(2) . . ?
O7 Te2 C13 90.9(2) . . ?
O5 Te2 C13 91.7(2) . . ?
O6 Te2 C13 91.79(19) 2_666 . ?
O6 Te2 C13 171.32(19) . . ?
O8 Te2 Te2 132.24(12) . 2_666 ?
O7 Te2 Te2 89.36(11) . 2_666 ?
O5 Te2 Te2 89.29(12) . 2_666 ?
O6 Te2 Te2 39.88(11) 2_666 2_666 ?
O6 Te2 Te2 39.66(10) . 2_666 ?
C13 Te2 Te2 131.67(16) . 2_666 ?
Te1 O1 Te1 100.66(17) 2_557 . ?
Te1 O2 H2 109.5 . . ?
Te1 O3 Sn1 129.5(2) . . ?
Te1 O4 Sn2 123.5(2) . . ?
Te2 O5 H5 109.5 . . ?
Te2 O6 Te2 100.46(16) 2_666 . ?
Te2 O7 Sn3 122.49(19) . . ?
Te2 O8 Sn4 126.7(2) . . ?
C6 C1 F1 117.1(8) . . ?
C6 C1 C2 124.5(9) . . ?
F1 C1 C2 118.4(9) . . ?
C6 C1 H1 117.8 . . ?
C2 C1 H1 117.8 . . ?
C3 C2 C1 118.7(8) . . ?
C3 C2 H2A 120.7 . . ?
C1 C2 H2A 120.7 . . ?
C2 C3 C4 119.8(6) . . ?
C2 C3 Te1 120.8(5) . . ?
C4 C3 Te1 119.3(5) . . ?
C3 C4 C5 118.1(8) . . ?
C3 C4 H4 120.9 . . ?
C5 C4 H4 120.9 . . ?
F1' C5 C6 114.2(18) . . ?
F1' C5 C4 121.5(19) . . ?
C6 C5 C4 122.9(9) . . ?
C6 C5 H5A 118.5 . . ?
C4 C5 H5A 118.5 . . ?
C1 C6 C5 115.9(8) . . ?
C1 C6 H6 122.0 . . ?
C5 C6 H6 122.0 . . ?
Sn1 C7 H7A 109.5 . . ?
Sn1 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
Sn1 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
Sn1 C8 H8A 109.5 . . ?
Sn1 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
Sn1 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
Sn1 C9 H9A 109.5 . . ?
Sn1 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
Sn1 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
Sn2 C10 H10A 109.5 . . ?
Sn2 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
Sn2 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
Sn2 C11 H11A 109.5 . . ?
Sn2 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
Sn2 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
Sn2 C12 H12A 109.5 . . ?
Sn2 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
Sn2 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C18 C13 C14 120.0(6) . . ?
C18 C13 Te2 120.3(5) . . ?
C14 C13 Te2 119.5(5) . . ?
C13 C14 C15 119.0(7) . . ?
C13 C14 H14 120.5 . . ?
C15 C14 H14 120.5 . . ?
F2' C15 C16 122.5(9) . . ?
F2' C15 C14 115.0(9) . . ?
C16 C15 C14 122.0(7) . . ?
C16 C15 H15 119.0 . . ?
C14 C15 H15 119.0 . . ?
C17 C16 C15 117.9(7) . . ?
C17 C16 H16 121.1 . . ?
C15 C16 H16 121.1 . . ?
C16 C17 F2 119.8(7) . . ?
C16 C17 C18 123.1(7) . . ?
F2 C17 C18 117.2(7) . . ?
C16 C17 H17 118.5 . . ?
C18 C17 H17 118.5 . . ?
C13 C18 C17 118.0(6) . . ?
C13 C18 H18 121.0 . . ?
C17 C18 H18 121.0 . . ?
Sn3 C19 H19A 109.5 . . ?
Sn3 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
Sn3 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
Sn3 C20 H20A 109.5 . . ?
Sn3 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
Sn3 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
Sn3 C21 H21A 109.5 . . ?
Sn3 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
Sn3 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
Sn4 C22 H22A 109.5 . . ?
Sn4 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
Sn4 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
Sn4 C23 H23A 109.5 . . ?
Sn4 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
Sn4 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
Sn4 C24 H24A 109.5 . . ?
Sn4 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
Sn4 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?

_refine_diff_density_max         0.658
_refine_diff_density_min         -0.884
_refine_diff_density_rms         0.135

####################################################################### 
# 
# 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_complex6
_database_code_depnum_ccdc_archive 'CCDC 1893768'
_audit_update_record             
;
2019-01-28 deposited with the CCDC.	2019-05-21 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/6
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C84 H66 F6 O8 Sn4 Te2'
_chemical_formula_weight         2047.32

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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sn Sn -0.6537 1.4246 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Te Te -0.5308 1.6751 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           13
_space_group_name_H-M_alt        'P 2/c'
_space_group_name_Hall           '-P 2yc'

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

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

_cell_length_a                   18.3382(16)
_cell_length_b                   18.3305(17)
_cell_length_c                   23.521(2)
_cell_angle_alpha                90
_cell_angle_beta                 97.6490(10)
_cell_angle_gamma                90
_cell_volume                     7836.1(12)
_cell_formula_units_Z            4
_cell_measurement_temperature    298(2)
_cell_measurement_reflns_used    5544
_cell_measurement_theta_min      2.3865
_cell_measurement_theta_max      22.281

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.735
_exptl_crystal_F_000             3968
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.280
_exptl_crystal_size_mid          0.170
_exptl_crystal_size_min          0.160
_exptl_absorpt_coefficient_mu    2.059
_shelx_estimated_absorpt_T_min   0.596
_shelx_estimated_absorpt_T_max   0.734
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.664
_exptl_absorpt_correction_T_max  0.719
_exptl_absorpt_process_details   sadabs
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      298(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            37748
_diffrn_reflns_av_unetI/netI     0.0822
_diffrn_reflns_av_R_equivalents  0.0588
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_theta_min         2.198
_diffrn_reflns_theta_max         25.020
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.976
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.976
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.976
_reflns_number_total             13827
_reflns_number_gt                6831
_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 SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_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)+(0.0843P)²] 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         13827
_refine_ls_number_parameters     939
_refine_ls_number_restraints     1464
_refine_ls_R_factor_all          0.1331
_refine_ls_R_factor_gt           0.0561
_refine_ls_wR_factor_ref         0.1720
_refine_ls_wR_factor_gt          0.1342
_refine_ls_goodness_of_fit_ref   0.933
_refine_ls_restrained_S_all      0.925
_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
Sn1 Sn 0.38665(4) 0.29172(4) 0.37000(3) 0.0567(2) Uani 1 1 d . . . . .
Sn2 Sn 0.10563(4) 0.28749(4) 0.35900(3) 0.0610(2) Uani 1 1 d . . . . .
Sn3 Sn 0.39435(4) 0.20635(4) 0.65378(3) 0.0610(2) Uani 1 1 d . . . . .
Sn4 Sn 0.10752(4) 0.20092(4) 0.64126(3) 0.0566(2) Uani 1 1 d . . . . .
Te1 Te 0.26006(3) 0.30004(3) 0.46643(3) 0.05113(19) Uani 1 1 d . . . . .
Te2 Te 0.23687(3) 0.17989(3) 0.55029(3) 0.05016(19) Uani 1 1 d . . . . .
F4 F 0.2733(6) -0.0687(4) 0.4341(4) 0.169(4) Uani 1 1 d . . . . .
F5 F 0.2616(5) -0.1554(3) 0.5243(4) 0.137(3) Uani 1 1 d . . . . .
F6 F 0.2334(7) -0.0980(4) 0.6220(4) 0.203(5) Uani 1 1 d . . . . .
F1 F 0.2493(6) 0.5493(4) 0.5871(4) 0.159(4) Uani 1 1 d . . . . .
F2 F 0.2432(5) 0.6368(4) 0.4926(4) 0.142(3) Uani 1 1 d . . . . .
F3 F 0.2506(5) 0.5767(4) 0.3892(4) 0.146(3) Uani 1 1 d . . . . .
O1 O 0.3657(3) 0.3013(4) 0.4935(3) 0.0608(18) Uani 1 1 d . . . . .
H1 H 0.3730 0.2859 0.5265 0.091 Uiso 1 1 calc R U . . .
O2 O 0.1327(3) 0.1806(3) 0.5213(3) 0.0563(17) Uani 1 1 d . . . . .
H2 H 0.1237 0.2153 0.4995 0.084 Uiso 1 1 calc R U . . .
O3 O 0.2845(3) 0.2989(3) 0.3910(2) 0.0542(16) Uani 1 1 d . . . . .
O4 O 0.1579(3) 0.2940(3) 0.4387(2) 0.0530(16) Uani 1 1 d . . . . .
O5 O 0.2617(3) 0.1930(3) 0.4721(2) 0.0479(15) Uani 1 1 d . . . . .
O6 O 0.2369(3) 0.2867(3) 0.5452(2) 0.0487(15) Uani 1 1 d . . . . .
O7 O 0.2109(3) 0.1794(3) 0.6250(2) 0.0513(16) Uani 1 1 d . . . . .
O8 O 0.3384(3) 0.1805(4) 0.5782(3) 0.0645(18) Uani 1 1 d . . . . .
C1 C 0.2559(5) 0.4153(5) 0.4746(5) 0.066(3) Uani 1 1 d . U . . .
C2 C 0.2543(7) 0.4424(7) 0.5303(6) 0.093(3) Uani 1 1 d . U . . .
H2A H 0.2566 0.4120 0.5621 0.112 Uiso 1 1 calc R U . . .
C3 C 0.2489(7) 0.5187(7) 0.5348(6) 0.090(3) Uani 1 1 d . U . . .
C4 C 0.2460(7) 0.5620(7) 0.4863(7) 0.092(3) Uani 1 1 d . U . . .
C5 C 0.2488(7) 0.5321(7) 0.4344(6) 0.086(3) Uani 1 1 d . U . . .
C6 C 0.2552(6) 0.4586(6) 0.4279(5) 0.076(3) Uani 1 1 d . U . . .
H6 H 0.2589 0.4386 0.3920 0.092 Uiso 1 1 calc R U . . .
C7 C 0.1177(6) 0.3864(6) 0.3159(5) 0.083(3) Uani 1 1 d D U . . .
C8 C 0.1569(7) 0.3909(6) 0.2709(5) 0.098(3) Uani 1 1 d D U . . .
H8 H 0.1816 0.3496 0.2605 0.118 Uiso 1 1 d R U . . .
C9 C 0.1601(8) 0.4556(6) 0.2404(6) 0.117(4) Uani 1 1 d D U . . .
H9 H 0.1853 0.4572 0.2087 0.141 Uiso 1 1 calc R U . . .
C10 C 0.1259(8) 0.5172(8) 0.2572(6) 0.121(4) Uani 1 1 d D U . . .
H10 H 0.1276 0.5605 0.2368 0.145 Uiso 1 1 calc R U . . .
C11 C 0.0893(8) 0.5141(7) 0.3043(6) 0.116(4) Uani 1 1 d D U . . .
H11 H 0.0678 0.5560 0.3170 0.140 Uiso 1 1 calc R U . . .
C12 C 0.0844(7) 0.4493(6) 0.3327(6) 0.104(3) Uani 1 1 d D U . . .
H12 H 0.0582 0.4476 0.3639 0.125 Uiso 1 1 d R U . . .
C13 C 0.1392(7) 0.1935(6) 0.3159(5) 0.076(3) Uani 1 1 d . U . . .
C14 C 0.1859(7) 0.1420(6) 0.3413(5) 0.084(3) Uani 1 1 d . U . . .
H14 H 0.2050 0.1475 0.3797 0.101 Uiso 1 1 calc R U . . .
C15 C 0.2056(7) 0.0819(7) 0.3117(5) 0.091(3) Uani 1 1 d . U . . .
H15 H 0.2381 0.0473 0.3295 0.110 Uiso 1 1 calc R U . . .
C16 C 0.1761(8) 0.0745(7) 0.2554(5) 0.096(3) Uani 1 1 d . U . . .
H16 H 0.1893 0.0345 0.2348 0.115 Uiso 1 1 calc R U . . .
C17 C 0.1285(7) 0.1237(8) 0.2290(5) 0.100(3) Uani 1 1 d . U . . .
H17 H 0.1080 0.1162 0.1912 0.119 Uiso 1 1 calc R U . . .
C18 C 0.1096(7) 0.1860(7) 0.2581(5) 0.090(3) Uani 1 1 d . U . . .
H18 H 0.0785 0.2213 0.2397 0.108 Uiso 1 1 calc R U . . .
C19 C -0.0004(6) 0.2743(6) 0.3836(5) 0.074(3) Uani 1 1 d . U . . .
C20 C -0.0571(6) 0.3258(7) 0.3698(6) 0.091(3) Uani 1 1 d . U . . .
H20 H -0.0479 0.3661 0.3477 0.109 Uiso 1 1 calc R U . . .
C21 C -0.1251(7) 0.3192(8) 0.3875(6) 0.110(4) Uani 1 1 d . U . . .
H21 H -0.1620 0.3533 0.3770 0.132 Uiso 1 1 calc R U . . .
C22 C -0.1367(7) 0.2623(8) 0.4204(6) 0.099(3) Uani 1 1 d . U . . .
H22 H -0.1814 0.2593 0.4348 0.119 Uiso 1 1 calc R U . . .
C23 C -0.0868(7) 0.2087(8) 0.4339(6) 0.099(3) Uani 1 1 d . U . . .
H23 H -0.0977 0.1684 0.4553 0.118 Uiso 1 1 calc R U . . .
C24 C -0.0170(7) 0.2161(7) 0.4143(6) 0.096(3) Uani 1 1 d . U . . .
H24 H 0.0181 0.1797 0.4229 0.115 Uiso 1 1 calc R U . . .
C25 C 0.3617(6) 0.2974(6) 0.2792(4) 0.063(2) Uani 1 1 d . U . . .
C26 C 0.3141(6) 0.2485(6) 0.2498(5) 0.079(3) Uani 1 1 d . U . . .
H26 H 0.2909 0.2138 0.2700 0.095 Uiso 1 1 calc R U . . .
C27 C 0.3004(7) 0.2505(7) 0.1910(5) 0.091(3) Uani 1 1 d . U . . .
H27 H 0.2670 0.2176 0.1721 0.110 Uiso 1 1 calc R U . . .
C28 C 0.3340(7) 0.2991(7) 0.1597(5) 0.084(3) Uani 1 1 d . U . . .
H28 H 0.3250 0.2991 0.1198 0.101 Uiso 1 1 calc R U . . .
C29 C 0.3816(7) 0.3484(7) 0.1886(5) 0.093(3) Uani 1 1 d . U . . .
H29 H 0.4044 0.3830 0.1681 0.112 Uiso 1 1 calc R U . . .
C30 C 0.3964(6) 0.3472(6) 0.2480(5) 0.078(3) Uani 1 1 d . U . . .
H30 H 0.4298 0.3802 0.2668 0.094 Uiso 1 1 calc R U . . .
C31 C 0.4506(6) 0.3821(7) 0.4011(5) 0.079(3) Uani 1 1 d . U . . .
C32 C 0.5108(7) 0.3721(7) 0.4424(5) 0.091(3) Uani 1 1 d . U . . .
H32 H 0.5210 0.3261 0.4582 0.109 Uiso 1 1 calc R U . . .
C33 C 0.5561(8) 0.4309(8) 0.4604(6) 0.109(4) Uani 1 1 d . U . . .
H33 H 0.5968 0.4244 0.4880 0.131 Uiso 1 1 calc R U . . .
C34 C 0.5404(8) 0.4974(9) 0.4373(6) 0.113(4) Uani 1 1 d . U . . .
H34 H 0.5718 0.5358 0.4493 0.136 Uiso 1 1 calc R U . . .
C35 C 0.4829(8) 0.5111(8) 0.3985(6) 0.112(4) Uani 1 1 d . U . . .
H35 H 0.4728 0.5581 0.3850 0.134 Uiso 1 1 calc R U . . .
C36 C 0.4370(7) 0.4517(7) 0.3784(6) 0.097(3) Uani 1 1 d . U . . .
H36 H 0.3976 0.4592 0.3498 0.117 Uiso 1 1 calc R U . . .
C37 C 0.4393(6) 0.1917(6) 0.3939(5) 0.073(3) Uani 1 1 d . U . . .
C38 C 0.4129(7) 0.1347(7) 0.4230(6) 0.098(3) Uani 1 1 d . U . . .
H38 H 0.3669 0.1403 0.4349 0.118 Uiso 1 1 calc R U . . .
C39 C 0.4495(8) 0.0693(7) 0.4361(6) 0.103(3) Uani 1 1 d . U . . .
H39 H 0.4288 0.0329 0.4564 0.124 Uiso 1 1 calc R U . . .
C40 C 0.5152(8) 0.0603(8) 0.4186(6) 0.107(4) Uani 1 1 d . U . . .
H40 H 0.5415 0.0174 0.4271 0.129 Uiso 1 1 calc R U . . .
C41 C 0.5438(8) 0.1143(8) 0.3882(6) 0.110(3) Uani 1 1 d . U . . .
H41 H 0.5893 0.1076 0.3755 0.132 Uiso 1 1 calc R U . . .
C42 C 0.5062(7) 0.1779(7) 0.3761(6) 0.102(3) Uani 1 1 d . U . . .
H42 H 0.5269 0.2134 0.3549 0.122 Uiso 1 1 calc R U . . .
C43 C 0.2382(5) 0.0647(5) 0.5401(4) 0.058(2) Uani 1 1 d . U . . .
C44 C 0.2512(6) 0.0361(6) 0.4887(5) 0.082(3) Uani 1 1 d . U . . .
H44 H 0.2551 0.0664 0.4576 0.098 Uiso 1 1 calc R U . . .
C45 C 0.2584(7) -0.0398(7) 0.4839(6) 0.090(3) Uani 1 1 d . U . . .
C46 C 0.2533(7) -0.0837(6) 0.5300(6) 0.083(3) Uani 1 1 d . U . . .
C47 C 0.2386(7) -0.0531(7) 0.5781(6) 0.091(3) Uani 1 1 d . U . . .
C48 C 0.2327(7) 0.0210(6) 0.5852(5) 0.088(3) Uani 1 1 d . U . . .
H48 H 0.2251 0.0405 0.6205 0.106 Uiso 1 1 calc R U . . .
C49 C 0.3873(7) 0.1171(6) 0.7076(5) 0.085(3) Uani 1 1 d D U . . .
C50 C 0.3942(9) 0.0467(6) 0.6918(6) 0.134(4) Uani 1 1 d D U . . .
H50 H 0.4045 0.0381 0.6548 0.160 Uiso 1 1 d R U . . .
C51 C 0.3915(10) -0.0142(8) 0.7268(6) 0.143(4) Uani 1 1 d D U . . .
H51 H 0.3971 -0.0605 0.7118 0.172 Uiso 1 1 calc R U . . .
C52 C 0.3808(9) -0.0068(7) 0.7821(6) 0.125(4) Uani 1 1 d D U . . .
H52 H 0.3763 -0.0467 0.8058 0.150 Uiso 1 1 calc R U . . .
C53 C 0.3770(9) 0.0636(7) 0.8010(6) 0.137(4) Uani 1 1 d D U . . .
H53 H 0.3738 0.0721 0.8396 0.164 Uiso 1 1 calc R U . . .
C54 C 0.3777(9) 0.1223(7) 0.7644(5) 0.131(4) Uani 1 1 d D U . . .
H54 H 0.3729 0.1687 0.7795 0.157 Uiso 1 1 d R U . . .
C55 C 0.4969(7) 0.2216(7) 0.6202(5) 0.084(3) Uani 1 1 d . U . . .
C56 C 0.5468(8) 0.2739(7) 0.6408(6) 0.106(3) Uani 1 1 d . U . . .
H56 H 0.5375 0.3037 0.6711 0.127 Uiso 1 1 calc R U . . .
C57 C 0.6125(8) 0.2829(8) 0.6163(7) 0.116(4) Uani 1 1 d . U . . .
H57 H 0.6464 0.3184 0.6305 0.139 Uiso 1 1 calc R U . . .
C58 C 0.6257(8) 0.2410(8) 0.5735(6) 0.105(3) Uani 1 1 d . U . . .
H58 H 0.6718 0.2430 0.5613 0.126 Uiso 1 1 calc R U . . .
C59 C 0.5748(8) 0.1952(8) 0.5469(7) 0.113(4) Uani 1 1 d . U . . .
H59 H 0.5819 0.1714 0.5132 0.136 Uiso 1 1 calc R U . . .
C60 C 0.5111(7) 0.1852(7) 0.5718(6) 0.095(3) Uani 1 1 d . U . . .
H60 H 0.4763 0.1521 0.5550 0.114 Uiso 1 1 calc R U . . .
C61 C 0.3597(8) 0.3057(6) 0.6874(6) 0.095(3) Uani 1 1 d . U . . .
C62 C 0.3080(9) 0.3107(8) 0.7236(6) 0.120(3) Uani 1 1 d . U . . .
H62 H 0.2823 0.2692 0.7321 0.144 Uiso 1 1 calc R U . . .
C63 C 0.2933(9) 0.3757(9) 0.7476(7) 0.132(4) Uani 1 1 d . U . . .
H63 H 0.2592 0.3768 0.7735 0.158 Uiso 1 1 calc R U . . .
C64 C 0.3254(9) 0.4371(8) 0.7357(7) 0.126(4) Uani 1 1 d . U . . .
H64 H 0.3168 0.4802 0.7546 0.151 Uiso 1 1 calc R U . . .
C65 C 0.3687(10) 0.4356(9) 0.6973(8) 0.145(4) Uani 1 1 d . U . . .
H65 H 0.3900 0.4791 0.6875 0.174 Uiso 1 1 calc R U . . .
C66 C 0.3860(8) 0.3693(8) 0.6685(7) 0.128(3) Uani 1 1 d . U . . .
H66 H 0.4140 0.3702 0.6383 0.153 Uiso 1 1 calc R U . . .
C67 C 0.0396(6) 0.1097(7) 0.6221(5) 0.081(3) Uani 1 1 d . U . . .
C68 C 0.0071(8) 0.0909(8) 0.5689(6) 0.112(4) Uani 1 1 d . U . . .
H68 H 0.0175 0.1181 0.5376 0.135 Uiso 1 1 calc R U . . .
C69 C -0.0422(8) 0.0313(8) 0.5593(6) 0.121(4) Uani 1 1 d . U . . .
H69 H -0.0632 0.0199 0.5222 0.145 Uiso 1 1 calc R U . . .
C70 C -0.0585(8) -0.0086(8) 0.6035(7) 0.122(4) Uani 1 1 d . U . . .
H70 H -0.0899 -0.0485 0.5973 0.146 Uiso 1 1 calc R U . . .
C71 C -0.0300(8) 0.0091(8) 0.6557(7) 0.129(4) Uani 1 1 d . U . . .
H71 H -0.0423 -0.0175 0.6867 0.155 Uiso 1 1 calc R U . . .
C72 C 0.0199(7) 0.0691(8) 0.6653(6) 0.116(3) Uani 1 1 d . U . . .
H72 H 0.0396 0.0805 0.7028 0.139 Uiso 1 1 calc R U . . .
C73 C 0.1321(7) 0.2079(7) 0.7309(5) 0.083(3) Uani 1 1 d . U . . .
C74 C 0.1037(8) 0.2634(8) 0.7617(5) 0.111(3) Uani 1 1 d . U . . .
H74 H 0.0731 0.2982 0.7422 0.133 Uiso 1 1 calc R U . . .
C75 C 0.1198(9) 0.2680(9) 0.8206(6) 0.124(4) Uani 1 1 d . U . . .
H75 H 0.1003 0.3064 0.8396 0.149 Uiso 1 1 calc R U . . .
C76 C 0.1633(9) 0.2182(9) 0.8520(6) 0.116(4) Uani 1 1 d . U . . .
H76 H 0.1727 0.2210 0.8918 0.140 Uiso 1 1 calc R U . . .
C77 C 0.1916(9) 0.1653(9) 0.8231(6) 0.128(4) Uani 1 1 d . U . . .
H77 H 0.2231 0.1313 0.8427 0.154 Uiso 1 1 calc R U . . .
C78 C 0.1743(9) 0.1606(9) 0.7629(6) 0.120(3) Uani 1 1 d . U . . .
H78 H 0.1937 0.1217 0.7444 0.144 Uiso 1 1 calc R U . . .
C79 C 0.0689(7) 0.3031(7) 0.6055(5) 0.082(3) Uani 1 1 d . U . . .
C80 C 0.1082(8) 0.3670(7) 0.6218(6) 0.104(3) Uani 1 1 d . U . . .
H80 H 0.1512 0.3652 0.6477 0.125 Uiso 1 1 calc R U . . .
C81 C 0.0819(9) 0.4325(8) 0.5985(6) 0.115(4) Uani 1 1 d . U . . .
H81 H 0.1086 0.4750 0.6078 0.138 Uiso 1 1 calc R U . . .
C82 C 0.0195(9) 0.4364(8) 0.5633(6) 0.121(4) Uani 1 1 d . U . . .
H82 H 0.0023 0.4814 0.5491 0.145 Uiso 1 1 calc R U . . .
C83 C -0.0195(9) 0.3751(9) 0.5477(6) 0.127(4) Uani 1 1 d . U . . .
H83 H -0.0634 0.3781 0.5230 0.152 Uiso 1 1 calc R U . . .
C84 C 0.0059(8) 0.3088(7) 0.5687(6) 0.110(4) Uani 1 1 d . U . . .
H84 H -0.0207 0.2669 0.5575 0.132 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
Sn1 O3 2.004(6) . ?
Sn1 C31 2.104(12) . ?
Sn1 C37 2.112(11) . ?
Sn1 C25 2.127(10) . ?
Sn2 O4 1.992(6) . ?
Sn2 C19 2.115(11) . ?
Sn2 C13 2.132(11) . ?
Sn2 C7 2.103(11) . ?
Sn3 O8 1.988(6) . ?
Sn3 C49 2.083(10) . ?
Sn3 C61 2.116(12) . ?
Sn3 C55 2.152(12) . ?
Sn4 O7 2.022(6) . ?
Sn4 C67 2.098(11) . ?
Sn4 C73 2.100(12) . ?
Sn4 C79 2.136(12) . ?
Te1 O3 1.888(6) . ?
Te1 O4 1.903(6) . ?
Te1 O1 1.958(6) . ?
Te1 O5 1.967(6) . ?
Te1 O6 1.971(6) . ?
Te1 C1 2.124(10) . ?
Te1 Te2 3.0240(9) . ?
Te2 O7 1.882(5) . ?
Te2 O8 1.891(6) . ?
Te2 O2 1.940(6) . ?
Te2 O6 1.961(6) . ?
Te2 O5 1.968(6) . ?
Te2 C43 2.125(9) . ?
F4 C45 1.346(13) . ?
F5 C46 1.332(12) . ?
F6 C47 1.333(13) . ?
F1 C3 1.350(14) . ?
F2 C4 1.381(13) . ?
F3 C5 1.346(13) . ?
C1 C6 1.354(14) . ?
C1 C2 1.405(15) . ?
C2 C3 1.406(15) . ?
C3 C4 1.384(16) . ?
C4 C5 1.346(16) . ?
C5 C6 1.362(15) . ?
C7 C8 1.359(8) . ?
C7 C12 1.388(9) . ?
C8 C9 1.392(9) . ?
C9 C10 1.374(9) . ?
C10 C11 1.372(9) . ?
C11 C12 1.371(9) . ?
C13 C14 1.358(15) . ?
C13 C18 1.401(15) . ?
C14 C15 1.377(15) . ?
C15 C16 1.369(15) . ?
C16 C17 1.348(17) . ?
C17 C18 1.398(16) . ?
C19 C24 1.344(15) . ?
C19 C20 1.411(15) . ?
C20 C21 1.373(15) . ?
C21 C22 1.332(17) . ?
C22 C23 1.351(17) . ?
C23 C24 1.425(16) . ?
C25 C26 1.371(14) . ?
C25 C30 1.378(13) . ?
C26 C27 1.375(14) . ?
C27 C28 1.355(15) . ?
C28 C29 1.372(15) . ?
C29 C30 1.387(14) . ?
C31 C32 1.382(15) . ?
C31 C36 1.392(16) . ?
C32 C33 1.392(16) . ?
C33 C34 1.350(18) . ?
C34 C35 1.323(17) . ?
C35 C36 1.418(17) . ?
C37 C42 1.371(15) . ?
C37 C38 1.373(15) . ?
C38 C39 1.388(16) . ?
C39 C40 1.335(16) . ?
C40 C41 1.366(17) . ?
C41 C42 1.365(16) . ?
C43 C48 1.344(13) . ?
C43 C44 1.367(13) . ?
C44 C45 1.404(15) . ?
C45 C46 1.364(15) . ?
C46 C47 1.323(15) . ?
C47 C48 1.376(15) . ?
C49 C50 1.354(9) . ?
C49 C54 1.374(9) . ?
C50 C51 1.392(9) . ?
C51 C52 1.349(9) . ?
C52 C53 1.371(9) . ?
C53 C54 1.379(9) . ?
C55 C56 1.370(16) . ?
C55 C60 1.374(16) . ?
C56 C57 1.412(16) . ?
C57 C58 1.314(17) . ?
C58 C59 1.347(17) . ?
C59 C60 1.386(16) . ?
C61 C66 1.359(17) . ?
C61 C62 1.360(17) . ?
C62 C63 1.361(17) . ?
C63 C64 1.316(18) . ?
C64 C65 1.280(18) . ?
C65 C66 1.447(18) . ?
C67 C72 1.348(15) . ?
C67 C68 1.355(15) . ?
C68 C69 1.417(17) . ?
C69 C70 1.338(17) . ?
C70 C71 1.308(17) . ?
C71 C72 1.429(16) . ?
C73 C78 1.327(17) . ?
C73 C74 1.390(16) . ?
C74 C75 1.380(16) . ?
C75 C76 1.363(18) . ?
C76 C77 1.327(18) . ?
C77 C78 1.414(17) . ?
C79 C84 1.351(16) . ?
C79 C80 1.401(17) . ?
C80 C81 1.381(16) . ?
C81 C82 1.322(18) . ?
C82 C83 1.355(19) . ?
C83 C84 1.370(17) . ?

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
O3 Sn1 C31 111.0(4) . . ?
O3 Sn1 C37 113.6(3) . . ?
C31 Sn1 C37 112.1(5) . . ?
O3 Sn1 C25 99.2(3) . . ?
C31 Sn1 C25 110.3(4) . . ?
C37 Sn1 C25 109.8(4) . . ?
O4 Sn2 C19 95.4(3) . . ?
O4 Sn2 C13 111.3(4) . . ?
C19 Sn2 C13 111.8(4) . . ?
O4 Sn2 C7 109.5(4) . . ?
C19 Sn2 C7 113.0(4) . . ?
C13 Sn2 C7 114.3(4) . . ?
O8 Sn3 C49 106.9(4) . . ?
O8 Sn3 C61 113.2(4) . . ?
C49 Sn3 C61 113.8(5) . . ?
O8 Sn3 C55 94.3(4) . . ?
C49 Sn3 C55 116.9(5) . . ?
C61 Sn3 C55 110.2(5) . . ?
O7 Sn4 C67 110.4(4) . . ?
O7 Sn4 C73 96.9(4) . . ?
C67 Sn4 C73 107.9(5) . . ?
O7 Sn4 C79 111.5(4) . . ?
C67 Sn4 C79 117.2(5) . . ?
C73 Sn4 C79 110.9(5) . . ?
O3 Te1 O4 91.3(3) . . ?
O3 Te1 O1 87.6(3) . . ?
O4 Te1 O1 177.1(3) . . ?
O3 Te1 O5 92.8(2) . . ?
O4 Te1 O5 88.3(2) . . ?
O1 Te1 O5 89.1(3) . . ?
O3 Te1 O6 172.1(2) . . ?
O4 Te1 O6 89.4(2) . . ?
O1 Te1 O6 91.4(2) . . ?
O5 Te1 O6 79.4(2) . . ?
O3 Te1 C1 96.4(4) . . ?
O4 Te1 C1 92.5(3) . . ?
O1 Te1 C1 90.3(3) . . ?
O5 Te1 C1 170.7(3) . . ?
O6 Te1 C1 91.4(3) . . ?
O3 Te1 Te2 132.59(18) . . ?
O4 Te1 Te2 87.92(18) . . ?
O1 Te1 Te2 90.90(19) . . ?
O5 Te1 Te2 39.80(16) . . ?
O6 Te1 Te2 39.60(16) . . ?
C1 Te1 Te2 131.0(3) . . ?
O7 Te2 O8 92.0(3) . . ?
O7 Te2 O2 88.2(3) . . ?
O8 Te2 O2 179.3(3) . . ?
O7 Te2 O6 93.6(2) . . ?
O8 Te2 O6 90.4(3) . . ?
O2 Te2 O6 88.9(2) . . ?
O7 Te2 O5 173.2(2) . . ?
O8 Te2 O5 89.1(2) . . ?
O2 Te2 O5 90.6(2) . . ?
O6 Te2 O5 79.6(2) . . ?
O7 Te2 C43 96.2(3) . . ?
O8 Te2 C43 91.1(3) . . ?
O2 Te2 C43 89.6(3) . . ?
O6 Te2 C43 169.9(3) . . ?
O5 Te2 C43 90.5(3) . . ?
O7 Te2 Te1 133.46(19) . . ?
O8 Te2 Te1 90.3(2) . . ?
O2 Te2 Te1 89.04(17) . . ?
O6 Te2 Te1 39.85(16) . . ?
O5 Te2 Te1 39.77(16) . . ?
C43 Te2 Te1 130.2(3) . . ?
Te1 O3 Sn1 125.3(3) . . ?
Te1 O4 Sn2 130.9(3) . . ?
Te1 O5 Te2 100.4(3) . . ?
Te2 O6 Te1 100.5(3) . . ?
Te2 O7 Sn4 122.4(3) . . ?
Te2 O8 Sn3 132.8(3) . . ?
C6 C1 C2 123.4(11) . . ?
C6 C1 Te1 120.4(8) . . ?
C2 C1 Te1 116.2(8) . . ?
C3 C2 C1 115.6(12) . . ?
F1 C3 C4 120.4(12) . . ?
F1 C3 C2 119.4(12) . . ?
C4 C3 C2 120.2(13) . . ?
C5 C4 F2 120.5(13) . . ?
C5 C4 C3 120.8(12) . . ?
F2 C4 C3 118.7(13) . . ?
F3 C5 C4 118.5(12) . . ?
F3 C5 C6 120.0(12) . . ?
C4 C5 C6 121.3(12) . . ?
C1 C6 C5 118.7(12) . . ?
C8 C7 C12 118.0(12) . . ?
C8 C7 Sn2 121.9(8) . . ?
C12 C7 Sn2 120.1(8) . . ?
C7 C8 C9 121.0(13) . . ?
C10 C9 C8 120.1(13) . . ?
C11 C10 C9 119.3(14) . . ?
C12 C11 C10 120.0(13) . . ?
C11 C12 C7 121.4(12) . . ?
C14 C13 C18 120.0(12) . . ?
C14 C13 Sn2 123.8(9) . . ?
C18 C13 Sn2 116.2(9) . . ?
C13 C14 C15 121.7(12) . . ?
C16 C15 C14 118.1(13) . . ?
C17 C16 C15 121.8(13) . . ?
C16 C17 C18 120.6(12) . . ?
C17 C18 C13 117.7(12) . . ?
C24 C19 C20 116.3(11) . . ?
C24 C19 Sn2 121.3(9) . . ?
C20 C19 Sn2 122.4(9) . . ?
C21 C20 C19 122.9(13) . . ?
C22 C21 C20 117.8(14) . . ?
C21 C22 C23 123.5(14) . . ?
C22 C23 C24 117.6(13) . . ?
C19 C24 C23 121.8(12) . . ?
C26 C25 C30 118.2(10) . . ?
C26 C25 Sn1 120.7(8) . . ?
C30 C25 Sn1 120.9(8) . . ?
C25 C26 C27 120.6(11) . . ?
C28 C27 C26 121.9(13) . . ?
C27 C28 C29 117.9(12) . . ?
C28 C29 C30 121.0(12) . . ?
C25 C30 C29 120.3(11) . . ?
C32 C31 C36 118.4(12) . . ?
C32 C31 Sn1 119.7(10) . . ?
C36 C31 Sn1 121.7(10) . . ?
C31 C32 C33 120.0(14) . . ?
C34 C33 C32 119.3(15) . . ?
C35 C34 C33 123.8(16) . . ?
C34 C35 C36 117.9(16) . . ?
C31 C36 C35 120.5(14) . . ?
C42 C37 C38 113.6(11) . . ?
C42 C37 Sn1 118.4(9) . . ?
C38 C37 Sn1 127.9(9) . . ?
C37 C38 C39 125.2(13) . . ?
C40 C39 C38 117.9(14) . . ?
C39 C40 C41 119.8(14) . . ?
C42 C41 C40 120.6(14) . . ?
C41 C42 C37 122.9(13) . . ?
C48 C43 C44 120.6(10) . . ?
C48 C43 Te2 120.0(8) . . ?
C44 C43 Te2 119.1(7) . . ?
C43 C44 C45 118.8(11) . . ?
F4 C45 C46 120.2(12) . . ?
F4 C45 C44 119.5(12) . . ?
C46 C45 C44 120.2(12) . . ?
C47 C46 F5 122.9(12) . . ?
C47 C46 C45 118.3(12) . . ?
F5 C46 C45 118.8(12) . . ?
C46 C47 F6 116.4(11) . . ?
C46 C47 C48 123.5(12) . . ?
F6 C47 C48 120.0(12) . . ?
C43 C48 C47 118.5(11) . . ?
C50 C49 C54 111.2(12) . . ?
C50 C49 Sn3 124.5(9) . . ?
C54 C49 Sn3 124.3(9) . . ?
C49 C50 C51 126.2(13) . . ?
C52 C51 C50 120.7(14) . . ?
C51 C52 C53 115.3(14) . . ?
C52 C53 C54 121.9(14) . . ?
C49 C54 C53 124.5(13) . . ?
C56 C55 C60 116.2(12) . . ?
C56 C55 Sn3 122.5(10) . . ?
C60 C55 Sn3 120.8(9) . . ?
C55 C56 C57 120.2(13) . . ?
C58 C57 C56 120.0(14) . . ?
C57 C58 C59 122.2(14) . . ?
C58 C59 C60 117.2(14) . . ?
C55 C60 C59 123.3(13) . . ?
C66 C61 C62 117.0(12) . . ?
C66 C61 Sn3 118.6(10) . . ?
C62 C61 Sn3 124.1(10) . . ?
C63 C62 C61 120.8(14) . . ?
C64 C63 C62 122.8(16) . . ?
C65 C64 C63 117.9(15) . . ?
C64 C65 C66 123.0(16) . . ?
C61 C66 C65 117.2(14) . . ?
C72 C67 C68 115.3(12) . . ?
C72 C67 Sn4 119.2(9) . . ?
C68 C67 Sn4 125.2(9) . . ?
C67 C68 C69 122.4(13) . . ?
C70 C69 C68 120.1(14) . . ?
C71 C70 C69 119.3(14) . . ?
C70 C71 C72 120.5(14) . . ?
C67 C72 C71 122.3(13) . . ?
C78 C73 C74 114.4(13) . . ?
C78 C73 Sn4 124.0(10) . . ?
C74 C73 Sn4 121.5(10) . . ?
C75 C74 C73 121.6(15) . . ?
C76 C75 C74 122.3(15) . . ?
C77 C76 C75 116.9(15) . . ?
C76 C77 C78 120.4(16) . . ?
C73 C78 C77 124.3(15) . . ?
C84 C79 C80 118.4(12) . . ?
C84 C79 Sn4 122.0(10) . . ?
C80 C79 Sn4 119.5(10) . . ?
C81 C80 C79 118.5(14) . . ?
C82 C81 C80 121.5(16) . . ?
C81 C82 C83 120.5(15) . . ?
C82 C83 C84 119.7(16) . . ?
C79 C84 C83 121.3(15) . . ?

_refine_diff_density_max         2.497
_refine_diff_density_min         -0.585
_refine_diff_density_rms         0.137

_shelxl_version_number           2014/6

####################################################################### 
# 
# 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_complex5
_database_code_depnum_ccdc_archive 'CCDC 1893767'
loop_
_audit_author_name
_audit_author_address
'Chunlin Ma'
;Liaocheng University
China
;
_audit_update_record             
;
2019-01-27 deposited with the CCDC.	2019-05-21 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/6
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C24 H42 F6 O8 Sn4 Te2'
_chemical_formula_weight         1302.53

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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sn Sn -0.6537 1.4246 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Te Te -0.5308 1.6751 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

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

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

_cell_length_a                   9.8591(9)
_cell_length_b                   16.1963(14)
_cell_length_c                   12.9897(11)
_cell_angle_alpha                90
_cell_angle_beta                 106.543(2)
_cell_angle_gamma                90
_cell_volume                     1988.3(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    298(2)
_cell_measurement_reflns_used    3575
_cell_measurement_theta_min      2.495
_cell_measurement_theta_max      25.960

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.176
_exptl_crystal_F_000             1216
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.330
_exptl_crystal_size_mid          0.300
_exptl_crystal_size_min          0.140
_exptl_absorpt_coefficient_mu    3.986
_shelx_estimated_absorpt_T_min   0.353
_shelx_estimated_absorpt_T_max   0.605
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.258
_exptl_absorpt_correction_T_max  0.572
_exptl_absorpt_process_details   sadabs
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      298(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            9768
_diffrn_reflns_av_unetI/netI     0.0480
_diffrn_reflns_av_R_equivalents  0.0406
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_theta_min         2.495
_diffrn_reflns_theta_max         25.020
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measured_fraction_theta_full 0.967
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_Laue_measured_fraction_full 0.967
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_point_group_measured_fraction_full 0.967
_reflns_number_total             3488
_reflns_number_gt                2542
_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 SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_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)+(0.0627P)²+9.7688P] 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         3488
_refine_ls_number_parameters     206
_refine_ls_number_restraints     18
_refine_ls_R_factor_all          0.0756
_refine_ls_R_factor_gt           0.0479
_refine_ls_wR_factor_ref         0.1355
_refine_ls_wR_factor_gt          0.1169
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_restrained_S_all      1.114
_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
Sn1 Sn -0.26059(8) 0.10129(5) 0.15815(6) 0.0632(3) Uani 1 1 d . U . . .
Sn2 Sn 0.18403(8) 0.24299(4) 0.13931(6) 0.0543(2) Uani 1 1 d . . . . .
Te1 Te 0.05625(6) 0.04182(4) 0.10760(5) 0.0414(2) Uani 1 1 d . . . . .
F1 F 0.4647(10) -0.1469(7) 0.3658(7) 0.141(4) Uani 1 1 d . U . . .
F2 F 0.4230(9) -0.0895(5) 0.5471(6) 0.112(3) Uani 1 1 d . U . . .
F3 F 0.2173(13) 0.0207(7) 0.5387(6) 0.149(4) Uani 1 1 d . U . . .
O1 O 0.2318(6) 0.0644(4) 0.0721(5) 0.0508(16) Uani 1 1 d . . . . .
H1 H 0.2266 0.0455 0.0125 0.076 Uiso 1 1 calc R U . . .
O2 O -0.0466(6) 0.0677(4) -0.0418(5) 0.0444(14) Uani 1 1 d . . . . .
O3 O 0.0503(6) 0.1523(4) 0.1507(5) 0.0514(16) Uani 1 1 d . . . . .
O4 O -0.1156(7) 0.0196(4) 0.1411(5) 0.0514(16) Uani 1 1 d . . . . .
C1 C -0.1834(15) 0.1682(9) 0.3042(11) 0.097(5) Uani 1 1 d . . . . .
H1A H -0.1458 0.1303 0.3621 0.146 Uiso 1 1 calc R U . . .
H1B H -0.2594 0.1991 0.3181 0.146 Uiso 1 1 calc R U . . .
H1C H -0.1102 0.2054 0.2982 0.146 Uiso 1 1 calc R U . . .
C2 C -0.3158(16) 0.1786(9) 0.0207(11) 0.102(5) Uani 1 1 d . . . . .
H2A H -0.2389 0.1804 -0.0109 0.153 Uiso 1 1 calc R U . . .
H2B H -0.3349 0.2334 0.0414 0.153 Uiso 1 1 calc R U . . .
H2C H -0.3986 0.1571 -0.0306 0.153 Uiso 1 1 calc R U . . .
C3 C -0.4139(13) 0.0094(10) 0.1653(12) 0.098(5) Uani 1 1 d . . . . .
H3A H -0.4070 -0.0362 0.1198 0.147 Uiso 1 1 calc R U . . .
H3B H -0.5070 0.0328 0.1414 0.147 Uiso 1 1 calc R U . . .
H3C H -0.3962 -0.0097 0.2379 0.147 Uiso 1 1 calc R U . . .
C8 C 0.1815(9) -0.0046(6) 0.2576(7) 0.046(2) Uani 1 1 d . . . . .
C9 C 0.2836(12) -0.0619(7) 0.2616(9) 0.066(3) Uani 1 1 d . . . . .
H9 H 0.2997 -0.0813 0.1987 0.080 Uiso 1 1 calc R U . . .
C10 C 0.2002(16) 0.2478(8) -0.0222(10) 0.089(4) Uani 1 1 d . . . . .
H10A H 0.2756 0.2124 -0.0283 0.134 Uiso 1 1 calc R U . . .
H10B H 0.2194 0.3034 -0.0392 0.134 Uiso 1 1 calc R U . . .
H10C H 0.1127 0.2297 -0.0711 0.134 Uiso 1 1 calc R U . . .
C11 C 0.2383(15) -0.0055(8) 0.4459(9) 0.078(4) Uani 1 1 d . . . . .
C12 C 0.1589(13) 0.0247(7) 0.3515(9) 0.068(3) Uani 1 1 d . . . . .
H12 H 0.0901 0.0644 0.3494 0.081 Uiso 1 1 calc R U . . .
C13 C 0.3625(13) -0.0908(8) 0.3596(11) 0.078(4) Uani 1 1 d . . . . .
C14 C 0.3762(13) 0.2153(9) 0.2551(10) 0.088(4) Uani 1 1 d . . . . .
H14A H 0.3572 0.1865 0.3140 0.132 Uiso 1 1 calc R U . . .
H14B H 0.4258 0.2657 0.2806 0.132 Uiso 1 1 calc R U . . .
H14C H 0.4331 0.1813 0.2234 0.132 Uiso 1 1 calc R U . . .
C15 C 0.0636(16) 0.3429(7) 0.1756(12) 0.095(4) Uani 1 1 d . . . . .
H15A H -0.0355 0.3306 0.1484 0.142 Uiso 1 1 calc R U . . .
H15B H 0.0844 0.3925 0.1427 0.142 Uiso 1 1 calc R U . . .
H15C H 0.0877 0.3503 0.2520 0.142 Uiso 1 1 calc R U . . .
C16 C 0.3419(14) -0.0615(8) 0.4538(10) 0.074(3) 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
Sn1 O4 2.006(6) . ?
Sn1 C2 2.121(13) . ?
Sn1 C1 2.128(12) . ?
Sn1 C3 2.142(13) . ?
Sn2 O3 2.007(6) . ?
Sn2 C14 2.104(12) . ?
Sn2 C15 2.137(11) . ?
Sn2 C10 2.149(11) . ?
Te1 O3 1.881(6) . ?
Te1 O4 1.900(6) . ?
Te1 O1 1.948(6) . ?
Te1 O2 1.960(6) 3 ?
Te1 O2 1.962(6) . ?
Te1 C8 2.125(9) . ?
Te1 Te1 3.0189(12) 3 ?
F1 C13 1.341(14) . ?
F2 C16 1.328(12) . ?
F3 C11 1.349(13) . ?
O2 Te1 1.960(6) 3 ?
C8 C9 1.360(14) . ?
C8 C12 1.384(14) . ?
C9 C13 1.371(15) . ?
C11 C12 1.345(15) . ?
C11 C16 1.347(17) . ?
C13 C16 1.381(18) . ?

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
O4 Sn1 C2 108.5(4) . . ?
O4 Sn1 C1 110.4(4) . . ?
C2 Sn1 C1 113.0(6) . . ?
O4 Sn1 C3 94.6(4) . . ?
C2 Sn1 C3 115.6(6) . . ?
C1 Sn1 C3 113.1(6) . . ?
O3 Sn2 C14 105.6(4) . . ?
O3 Sn2 C15 96.9(4) . . ?
C14 Sn2 C15 116.5(6) . . ?
O3 Sn2 C10 109.3(4) . . ?
C14 Sn2 C10 113.8(6) . . ?
C15 Sn2 C10 112.8(5) . . ?
O3 Te1 O4 90.4(3) . . ?
O3 Te1 O1 89.9(3) . . ?
O4 Te1 O1 179.5(3) . . ?
O3 Te1 O2 171.6(3) . 3 ?
O4 Te1 O2 89.6(3) . 3 ?
O1 Te1 O2 90.1(3) . 3 ?
O3 Te1 O2 92.3(3) . . ?
O4 Te1 O2 91.3(3) . . ?
O1 Te1 O2 88.2(3) . . ?
O2 Te1 O2 79.3(3) 3 . ?
O3 Te1 C8 97.0(3) . . ?
O4 Te1 C8 92.7(3) . . ?
O1 Te1 C8 87.7(3) . . ?
O2 Te1 C8 91.3(3) 3 . ?
O2 Te1 C8 169.8(3) . . ?
O3 Te1 Te1 131.9(2) . 3 ?
O4 Te1 Te1 90.6(2) . 3 ?
O1 Te1 Te1 88.94(19) . 3 ?
O2 Te1 Te1 39.70(16) 3 3 ?
O2 Te1 Te1 39.63(18) . 3 ?
C8 Te1 Te1 130.9(3) . 3 ?
Te1 O2 Te1 100.7(3) 3 . ?
Te1 O3 Sn2 126.7(3) . . ?
Te1 O4 Sn1 127.6(3) . . ?
C9 C8 C12 120.2(9) . . ?
C9 C8 Te1 120.5(7) . . ?
C12 C8 Te1 119.3(7) . . ?
C8 C9 C13 119.1(11) . . ?
C12 C11 C16 123.1(11) . . ?
C12 C11 F3 120.1(12) . . ?
C16 C11 F3 116.7(11) . . ?
C11 C12 C8 118.7(11) . . ?
F1 C13 C9 120.4(12) . . ?
F1 C13 C16 118.5(11) . . ?
C9 C13 C16 121.1(11) . . ?
F2 C16 C11 123.1(13) . . ?
F2 C16 C13 119.3(12) . . ?
C11 C16 C13 117.6(10) . . ?

_refine_diff_density_max         2.477
_refine_diff_density_min         -0.850
_refine_diff_density_rms         0.180

_shelxl_version_number           2014/6

####################################################################### 
# 
# 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_complex2
_database_code_depnum_ccdc_archive 'CCDC 1893764'
loop_
_audit_author_name
_audit_author_address
'Chunlin Ma'
;Liaocheng University
China
;
_audit_update_record             
;
2019-01-27 deposited with the CCDC.	2019-05-21 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/6
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C84 H70 F2 O8 Sn4 Te2'
_chemical_formula_weight         1975.36

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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sn Sn -0.6537 1.4246 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Te Te -0.5308 1.6751 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           61
_space_group_name_H-M_alt        'P b c a'
_space_group_name_Hall           '-P 2ac 2ab'

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

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, 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                   16.7550(15)
_cell_length_b                   20.4506(19)
_cell_length_c                   23.043(2)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     7895.7(13)
_cell_formula_units_Z            4
_cell_measurement_temperature    298(2)
_cell_measurement_reflns_used    9540
_cell_measurement_theta_min      2.365
_cell_measurement_theta_max      25.925

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.662
_exptl_crystal_F_000             3840
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.410
_exptl_crystal_size_mid          0.300
_exptl_crystal_size_min          0.270
_exptl_absorpt_coefficient_mu    2.033
_shelx_estimated_absorpt_T_min   0.489
_shelx_estimated_absorpt_T_max   0.610
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.430
_exptl_absorpt_correction_T_max  0.610
_exptl_absorpt_process_details   sadabs
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      298(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            38074
_diffrn_reflns_av_unetI/netI     0.0450
_diffrn_reflns_av_R_equivalents  0.0532
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_theta_min         2.365
_diffrn_reflns_theta_max         25.019
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.976
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.976
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.976
_reflns_number_total             6967
_reflns_number_gt                4652
_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 SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_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)+85.5773P] 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         6967
_refine_ls_number_parameters     456
_refine_ls_number_restraints     714
_refine_ls_R_factor_all          0.1058
_refine_ls_R_factor_gt           0.0566
_refine_ls_wR_factor_ref         0.1172
_refine_ls_wR_factor_gt          0.0974
_refine_ls_goodness_of_fit_ref   1.086
_refine_ls_restrained_S_all      1.083
_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
Sn2 Sn 0.19397(4) 0.13110(3) 0.54906(3) 0.04953(18) Uani 1 1 d . . . . .
Sn3 Sn -0.10332(4) 0.14082(3) 0.60462(3) 0.0546(2) Uani 1 1 d . . . . .
Te1 Te 0.03758(3) 0.02280(3) 0.55612(2) 0.04066(15) Uani 1 1 d . . . . .
F1 F 0.2053(7) -0.0481(7) 0.7425(4) 0.138(5) Uani 0.741(11) 1 d . . P A 1
F1' F -0.051(2) -0.1144(19) 0.7433(13) 0.138(5) Uani 0.259(11) 1 d . . P A 2
O1 O 0.1424(3) -0.0044(3) 0.5274(3) 0.0495(16) Uani 1 1 d . . . . .
H1 H 0.1457 -0.0444 0.5285 0.074 Uiso 1 1 calc R U . . .
O2 O 0.0146(3) 0.0544(3) 0.4776(2) 0.0414(14) Uani 1 1 d . . . . .
O3 O -0.0644(3) 0.0539(3) 0.5801(3) 0.0498(16) Uani 1 1 d . . . . .
O4 O 0.0858(3) 0.1025(3) 0.5783(2) 0.0460(15) Uani 1 1 d . . . . .
C1 C 0.0563(6) -0.0268(5) 0.6352(4) 0.053(2) Uani 1 1 d . U . . .
C2 C -0.0053(8) -0.0623(6) 0.6584(5) 0.082(3) Uani 1 1 d . U . . .
H2 H -0.0543 -0.0658 0.6397 0.099 Uiso 1 1 calc R U . . .
C3 C 0.0093(9) -0.0928(7) 0.7111(6) 0.098(3) Uani 1 1 d . U . . .
H3 H -0.0311 -0.1182 0.7271 0.118 Uiso 0.741(11) 1 calc R U P A 1
C4 C 0.0786(9) -0.0876(6) 0.7407(5) 0.090(3) Uani 1 1 d . U . . .
H4 H 0.0859 -0.1077 0.7765 0.108 Uiso 1 1 calc R U . . .
C5 C 0.1361(8) -0.0521(6) 0.7157(5) 0.077(3) Uani 1 1 d . U . . .
H5 H 0.1846 -0.0479 0.7350 0.093 Uiso 0.259(11) 1 calc R U P A 2
C6 C 0.1275(6) -0.0219(5) 0.6636(4) 0.065(2) Uani 1 1 d . U . . .
H6 H 0.1695 0.0018 0.6475 0.078 Uiso 1 1 calc R U . . .
C7 C 0.2869(6) 0.0763(5) 0.5901(5) 0.063(2) Uani 1 1 d . U . . .
C8 C 0.3106(7) 0.0929(6) 0.6453(6) 0.086(3) Uani 1 1 d . U . . .
H8 H 0.2845 0.1267 0.6645 0.103 Uiso 1 1 calc R U . . .
C9 C 0.3717(8) 0.0608(7) 0.6728(6) 0.097(3) Uani 1 1 d . U . . .
H9 H 0.3860 0.0721 0.7105 0.116 Uiso 1 1 calc R U . . .
C10 C 0.4114(7) 0.0123(7) 0.6446(6) 0.088(3) Uani 1 1 d . U . . .
H10 H 0.4527 -0.0096 0.6631 0.105 Uiso 1 1 calc R U . . .
C11 C 0.3911(7) -0.0045(6) 0.5893(6) 0.090(3) Uani 1 1 d . U . . .
H11 H 0.4195 -0.0369 0.5699 0.107 Uiso 1 1 calc R U . . .
C12 C 0.3281(6) 0.0269(6) 0.5620(5) 0.076(3) Uani 1 1 d . U . . .
H12 H 0.3134 0.0147 0.5247 0.092 Uiso 1 1 calc R U . . .
C13 C 0.1962(6) 0.1392(5) 0.4570(4) 0.058(2) Uani 1 1 d . U . . .
C14 C 0.2185(7) 0.0882(6) 0.4202(5) 0.073(3) Uani 1 1 d . U . . .
H14 H 0.2295 0.0470 0.4352 0.088 Uiso 1 1 calc R U . . .
C15 C 0.2239(7) 0.0999(7) 0.3610(5) 0.084(3) Uani 1 1 d . U . . .
H15 H 0.2396 0.0663 0.3363 0.101 Uiso 1 1 calc R U . . .
C16 C 0.2066(7) 0.1598(7) 0.3386(5) 0.083(3) Uani 1 1 d . U . . .
H16 H 0.2098 0.1664 0.2988 0.100 Uiso 1 1 calc R U . . .
C17 C 0.1851(7) 0.2094(7) 0.3729(5) 0.082(3) Uani 1 1 d . U . . .
H17 H 0.1735 0.2501 0.3571 0.099 Uiso 1 1 calc R U . . .
C18 C 0.1800(6) 0.1996(6) 0.4326(5) 0.071(3) Uani 1 1 d . U . . .
H18 H 0.1655 0.2342 0.4565 0.085 Uiso 1 1 calc R U . . .
C19 C 0.1942(7) 0.2264(5) 0.5869(5) 0.065(2) Uani 1 1 d . U . . .
C20 C 0.2625(8) 0.2625(6) 0.5856(6) 0.093(3) Uani 1 1 d . U . . .
H20 H 0.3073 0.2455 0.5671 0.111 Uiso 1 1 calc R U . . .
C21 C 0.2672(8) 0.3236(6) 0.6109(6) 0.098(3) Uani 1 1 d . U . . .
H21 H 0.3144 0.3475 0.6092 0.118 Uiso 1 1 calc R U . . .
C22 C 0.2016(9) 0.3484(7) 0.6384(6) 0.104(4) Uani 1 1 d . U . . .
H22 H 0.2045 0.3884 0.6574 0.125 Uiso 1 1 calc R U . . .
C23 C 0.1329(9) 0.3147(7) 0.6377(7) 0.109(4) Uani 1 1 d . U . . .
H23 H 0.0878 0.3322 0.6554 0.130 Uiso 1 1 calc R U . . .
C24 C 0.1286(8) 0.2538(6) 0.6110(6) 0.099(3) Uani 1 1 d . U . . .
H24 H 0.0801 0.2317 0.6096 0.119 Uiso 1 1 calc R U . . .
C25 C -0.0763(6) 0.2175(5) 0.5455(5) 0.067(2) Uani 1 1 d . U . . .
C26 C -0.0368(7) 0.2087(6) 0.4934(5) 0.084(3) Uani 1 1 d . U . . .
H26 H -0.0199 0.1674 0.4819 0.101 Uiso 1 1 calc R U . . .
C27 C -0.0230(7) 0.2625(6) 0.4588(6) 0.091(3) Uani 1 1 d . U . . .
H27 H 0.0038 0.2574 0.4237 0.109 Uiso 1 1 calc R U . . .
C28 C -0.0481(7) 0.3229(7) 0.4753(6) 0.092(3) Uani 1 1 d . U . . .
H28 H -0.0395 0.3584 0.4508 0.110 Uiso 1 1 calc R U . . .
C29 C -0.0847(7) 0.3323(6) 0.5256(6) 0.089(3) Uani 1 1 d . U . . .
H29 H -0.0998 0.3742 0.5367 0.106 Uiso 1 1 calc R U . . .
C30 C -0.1003(7) 0.2802(6) 0.5614(6) 0.081(3) Uani 1 1 d . U . . .
H30 H -0.1269 0.2868 0.5964 0.097 Uiso 1 1 calc R U . . .
C31 C -0.2267(7) 0.1155(6) 0.6027(7) 0.088(3) Uani 1 1 d . U . . .
C32 C -0.2702(8) 0.1267(7) 0.5528(7) 0.104(3) Uani 1 1 d . U . . .
H32 H -0.2451 0.1465 0.5214 0.125 Uiso 1 1 calc R U . . .
C33 C -0.3500(8) 0.1094(7) 0.5479(8) 0.116(4) Uani 1 1 d . U . . .
H33 H -0.3795 0.1199 0.5150 0.139 Uiso 1 1 calc R U . . .
C34 C -0.3823(10) 0.0778(8) 0.5913(9) 0.127(4) Uani 1 1 d . U . . .
H34 H -0.4333 0.0607 0.5864 0.152 Uiso 1 1 calc R U . . .
C35 C -0.3449(9) 0.0685(8) 0.6440(8) 0.129(4) Uani 1 1 d . U . . .
H35 H -0.3725 0.0507 0.6753 0.155 Uiso 1 1 calc R U . . .
C36 C -0.2633(8) 0.0865(7) 0.6494(7) 0.117(4) Uani 1 1 d . U . . .
H36 H -0.2354 0.0789 0.6837 0.141 Uiso 1 1 calc R U . . .
C37 C -0.0647(10) 0.1673(7) 0.6889(6) 0.103(3) Uani 1 1 d . U . . .
C38 C -0.1164(12) 0.2053(8) 0.7217(7) 0.132(4) Uani 1 1 d . U . . .
H38 H -0.1675 0.2154 0.7088 0.158 Uiso 1 1 calc R U . . .
C39 C -0.0862(13) 0.2289(9) 0.7783(8) 0.147(5) Uani 1 1 d . U . . .
H39 H -0.1171 0.2527 0.8044 0.177 Uiso 1 1 calc R U . . .
C40 C -0.0126(14) 0.2131(10) 0.7878(8) 0.146(5) Uani 1 1 d . U . . .
H40 H 0.0092 0.2358 0.8190 0.175 Uiso 1 1 calc R U . . .
C41 C 0.0385(13) 0.1731(10) 0.7641(8) 0.155(5) Uani 1 1 d . U . . .
H41 H 0.0871 0.1609 0.7803 0.186 Uiso 1 1 calc R U . . .
C42 C 0.0078(11) 0.1504(8) 0.7084(7) 0.128(4) Uani 1 1 d . U . . .
H42 H 0.0396 0.1233 0.6856 0.154 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
Sn2 O4 2.019(6) . ?
Sn2 C13 2.128(10) . ?
Sn2 C19 2.136(10) . ?
Sn2 C7 2.139(10) . ?
Sn3 O3 1.977(6) . ?
Sn3 C37 2.117(15) . ?
Sn3 C25 2.126(10) . ?
Sn3 C31 2.132(13) . ?
Te1 O4 1.889(5) . ?
Te1 O3 1.905(6) . ?
Te1 O1 1.957(5) . ?
Te1 O2 1.960(5) . ?
Te1 O2 1.965(5) 5_556 ?
Te1 C1 2.108(9) . ?
Te1 Te1 3.0242(11) 5_556 ?
F1 C5 1.316(14) . ?
F1' C3 1.33(4) . ?
O2 Te1 1.965(5) 5_556 ?
C1 C6 1.365(13) . ?
C1 C2 1.370(14) . ?
C2 C3 1.387(15) . ?
C3 C4 1.350(17) . ?
C4 C5 1.338(16) . ?
C5 C6 1.359(14) . ?
C7 C8 1.374(15) . ?
C7 C12 1.384(15) . ?
C8 C9 1.372(16) . ?
C9 C10 1.360(17) . ?
C10 C11 1.362(16) . ?
C11 C12 1.387(15) . ?
C13 C18 1.384(14) . ?
C13 C14 1.394(14) . ?
C14 C15 1.389(14) . ?
C15 C16 1.361(16) . ?
C16 C17 1.334(16) . ?
C17 C18 1.393(15) . ?
C19 C24 1.353(15) . ?
C19 C20 1.362(15) . ?
C20 C21 1.380(16) . ?
C21 C22 1.367(17) . ?
C22 C23 1.340(17) . ?
C23 C24 1.392(16) . ?
C25 C26 1.383(15) . ?
C25 C30 1.393(14) . ?
C26 C27 1.377(15) . ?
C27 C28 1.360(17) . ?
C28 C29 1.326(16) . ?
C29 C30 1.371(15) . ?
C31 C32 1.379(18) . ?
C31 C36 1.375(17) . ?
C32 C33 1.388(18) . ?
C33 C34 1.307(19) . ?
C34 C35 1.38(2) . ?
C35 C36 1.422(19) . ?
C37 C42 1.34(2) . ?
C37 C38 1.39(2) . ?
C38 C39 1.48(2) . ?
C39 C40 1.29(2) . ?
C40 C41 1.30(2) . ?
C41 C42 1.46(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
O4 Sn2 C13 111.8(3) . . ?
O4 Sn2 C19 97.5(3) . . ?
C13 Sn2 C19 109.7(4) . . ?
O4 Sn2 C7 110.7(3) . . ?
C13 Sn2 C7 118.0(4) . . ?
C19 Sn2 C7 107.2(4) . . ?
O3 Sn3 C37 113.0(5) . . ?
O3 Sn3 C25 114.3(4) . . ?
C37 Sn3 C25 109.5(5) . . ?
O3 Sn3 C31 95.5(4) . . ?
C37 Sn3 C31 112.2(6) . . ?
C25 Sn3 C31 111.8(5) . . ?
O4 Te1 O3 91.0(3) . . ?
O4 Te1 O1 87.3(2) . . ?
O3 Te1 O1 176.1(3) . . ?
O4 Te1 O2 92.8(2) . . ?
O3 Te1 O2 88.9(2) . . ?
O1 Te1 O2 87.6(3) . . ?
O4 Te1 O2 172.0(2) . 5_556 ?
O3 Te1 O2 89.1(2) . 5_556 ?
O1 Te1 O2 92.1(2) . 5_556 ?
O2 Te1 O2 79.2(2) . 5_556 ?
O4 Te1 C1 96.8(3) . . ?
O3 Te1 C1 92.5(3) . . ?
O1 Te1 C1 91.3(3) . . ?
O2 Te1 C1 170.3(3) . . ?
O2 Te1 C1 91.2(3) 5_556 . ?
O4 Te1 Te1 132.47(18) . 5_556 ?
O3 Te1 Te1 88.73(18) . 5_556 ?
O1 Te1 Te1 89.81(19) . 5_556 ?
O2 Te1 Te1 39.67(16) . 5_556 ?
O2 Te1 Te1 39.53(16) 5_556 5_556 ?
C1 Te1 Te1 130.7(3) . 5_556 ?
Te1 O2 Te1 100.8(2) . 5_556 ?
Te1 O3 Sn3 132.8(3) . . ?
Te1 O4 Sn2 123.0(3) . . ?
C6 C1 C2 120.7(10) . . ?
C6 C1 Te1 120.6(8) . . ?
C2 C1 Te1 118.7(8) . . ?
C1 C2 C3 116.6(12) . . ?
F1' C3 C4 113.3(17) . . ?
F1' C3 C2 120.5(18) . . ?
C4 C3 C2 123.9(13) . . ?
C5 C4 C3 116.4(12) . . ?
F1 C5 C4 117.8(12) . . ?
F1 C5 C6 118.7(13) . . ?
C4 C5 C6 123.5(12) . . ?
C5 C6 C1 118.9(11) . . ?
C8 C7 C12 117.9(11) . . ?
C8 C7 Sn2 119.3(9) . . ?
C12 C7 Sn2 122.6(8) . . ?
C9 C8 C7 121.7(13) . . ?
C10 C9 C8 119.5(13) . . ?
C9 C10 C11 120.7(12) . . ?
C10 C11 C12 119.8(13) . . ?
C7 C12 C11 120.4(12) . . ?
C18 C13 C14 118.2(10) . . ?
C18 C13 Sn2 118.1(8) . . ?
C14 C13 Sn2 123.6(8) . . ?
C15 C14 C13 119.1(11) . . ?
C16 C15 C14 120.8(12) . . ?
C17 C16 C15 121.2(12) . . ?
C16 C17 C18 119.4(13) . . ?
C13 C18 C17 121.2(11) . . ?
C24 C19 C20 117.9(11) . . ?
C24 C19 Sn2 122.9(8) . . ?
C20 C19 Sn2 119.2(9) . . ?
C19 C20 C21 122.0(13) . . ?
C22 C21 C20 119.0(13) . . ?
C23 C22 C21 119.7(13) . . ?
C22 C23 C24 120.6(14) . . ?
C19 C24 C23 120.7(12) . . ?
C26 C25 C30 119.1(10) . . ?
C26 C25 Sn3 124.2(9) . . ?
C30 C25 Sn3 116.7(8) . . ?
C27 C26 C25 118.6(12) . . ?
C28 C27 C26 120.8(13) . . ?
C29 C28 C27 121.2(12) . . ?
C28 C29 C30 120.2(13) . . ?
C29 C30 C25 120.1(12) . . ?
C32 C31 C36 119.3(13) . . ?
C32 C31 Sn3 119.3(9) . . ?
C36 C31 Sn3 121.4(12) . . ?
C31 C32 C33 122.3(15) . . ?
C34 C33 C32 117.5(17) . . ?
C33 C34 C35 123.6(17) . . ?
C34 C35 C36 118.5(15) . . ?
C31 C36 C35 118.2(16) . . ?
C42 C37 C38 121.8(17) . . ?
C42 C37 Sn3 121.2(12) . . ?
C38 C37 Sn3 116.9(13) . . ?
C37 C38 C39 116.7(18) . . ?
C40 C39 C38 113(2) . . ?
C39 C40 C41 135(2) . . ?
C40 C41 C42 110(2) . . ?
C37 C42 C41 122.2(18) . . ?

_refine_diff_density_max         1.461
_refine_diff_density_min         -0.795
_refine_diff_density_rms         0.137

_shelxl_version_number           2014/6

####################################################################### 
# 
# 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_150331c
_database_code_depnum_ccdc_archive 'CCDC 1893765'
loop_
_audit_author_name
_audit_author_address
'Chunlin Ma'
;Liaocheng University
China
;
_audit_update_record             
;
2019-05-16 deposited with the CCDC.	2019-05-21 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/6
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C24 H44 F4 O8 Sn4 Te2'
_chemical_formula_weight         1266.55

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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sn Sn -0.6537 1.4246 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Te Te -0.5308 1.6751 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      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                   12.1270(11)
_cell_length_b                   13.2661(12)
_cell_length_c                   13.9876(13)
_cell_angle_alpha                105.314(2)
_cell_angle_beta                 113.956(3)
_cell_angle_gamma                92.5570(10)
_cell_volume                     1953.8(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    298(2)
_cell_measurement_reflns_used    2176
_cell_measurement_theta_min      2.671
_cell_measurement_theta_max      22.887

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.153
_exptl_crystal_F_000             1184
_exptl_transmission_factor_min   0.537
_exptl_transmission_factor_max   0.641
_exptl_crystal_size_max          0.190
_exptl_crystal_size_mid          0.130
_exptl_crystal_size_min          0.110
_exptl_absorpt_coefficient_mu    4.046
_shelx_estimated_absorpt_T_min   0.514
_shelx_estimated_absorpt_T_max   0.664
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   sadabs
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      298(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            10088
_diffrn_reflns_av_unetI/netI     0.1113
_diffrn_reflns_av_R_equivalents  0.0821
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_theta_min         2.248
_diffrn_reflns_theta_max         25.020
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measured_fraction_theta_full 0.961
_diffrn_reflns_Laue_measured_fraction_max 0.985
_diffrn_reflns_Laue_measured_fraction_full 0.961
_diffrn_reflns_point_group_measured_fraction_max 0.985
_diffrn_reflns_point_group_measured_fraction_full 0.961
_reflns_number_total             6794
_reflns_number_gt                3737
_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 SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/6 (Sheldrick, 2014)'
_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)+(0.1173P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         6794
_refine_ls_number_parameters     401
_refine_ls_number_restraints     398
_refine_ls_R_factor_all          0.1260
_refine_ls_R_factor_gt           0.0760
_refine_ls_wR_factor_ref         0.2098
_refine_ls_wR_factor_gt          0.1830
_refine_ls_goodness_of_fit_ref   0.901
_refine_ls_restrained_S_all      0.885
_refine_ls_shift/su_max          0.000
_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
Te1 Te 0.95995(8) 0.46996(7) 0.37792(8) 0.0442(3) Uani 1 1 d . . . . .
Te2 Te 0.47286(8) 0.96354(8) 0.38006(8) 0.0473(3) Uani 1 1 d . . . . .
Sn1 Sn 0.86299(10) 0.69855(9) 0.32347(9) 0.0592(3) Uani 1 1 d . . . . .
Sn2 Sn 0.66466(11) 0.33725(10) 0.19441(11) 0.0675(4) Uani 1 1 d . . . . .
Sn3 Sn 0.35951(11) 0.69721(9) 0.31391(10) 0.0644(4) Uani 1 1 d . . . . .
Sn4 Sn 0.20345(12) 0.99432(11) 0.18445(11) 0.0783(4) Uani 1 1 d . . . . .
F1 F 1.2537(11) 0.3426(10) 0.1063(10) 0.111(4) Uani 1 1 d . U . . .
F2 F 1.0528(18) 0.4173(17) 0.0248(15) 0.112(5) Uani 0.632(16) 1 d . U P A 1
F3 F 0.8135(10) 0.9719(10) 0.1509(9) 0.096(3) Uani 1 1 d . U . . .
F4 F 0.6130(13) 0.8297(11) 0.0561(11) 0.123(5) Uani 0.908(19) 1 d . U P B 1
F2' F 1.325(3) 0.316(3) 0.304(2) 0.112(5) Uani 0.368(16) 1 d D . P A 2
F4' F 0.891(4) 1.079(11) 0.336(10) 0.123(5) Uani 0.092(19) 1 d D . P B 2
O1 O 0.9234(10) 0.3232(8) 0.3676(8) 0.059(3) Uani 1 1 d . . . . .
H1 H 0.9281 0.3196 0.4267 0.089 Uiso 1 1 calc R U . . .
O2 O 0.8923(8) 0.5068(8) 0.4841(7) 0.046(2) Uani 1 1 d . . . . .
O3 O 0.8069(8) 0.4545(8) 0.2570(7) 0.049(2) Uani 1 1 d . . . . .
O4 O 0.9927(8) 0.6155(7) 0.3906(7) 0.047(2) Uani 1 1 d . . . . .
O5 O 0.4477(10) 1.1060(8) 0.3743(8) 0.055(3) Uani 1 1 d . . . . .
H5 H 0.4492 1.1416 0.4326 0.082 Uiso 1 1 calc R U . . .
O6 O 0.6115(8) 1.0217(8) 0.5256(8) 0.051(2) Uani 1 1 d . . . . .
O7 O 0.4918(9) 0.8232(7) 0.3854(8) 0.053(3) Uani 1 1 d . . . . .
O8 O 0.3258(9) 0.9067(8) 0.2500(8) 0.058(3) Uani 1 1 d . . . . .
C1 C 1.0584(16) 0.4253(14) 0.2825(14) 0.068(4) Uani 1 1 d . U . . .
C2 C 1.1627(16) 0.3855(14) 0.3266(15) 0.069(4) Uani 1 1 d . U . . .
H2 H 1.1910 0.3779 0.3965 0.083 Uiso 1 1 calc R U . . .
C3 C 1.2239(18) 0.3572(16) 0.2622(16) 0.083(4) Uani 1 1 d D U . . .
H3 H 1.2940 0.3280 0.2898 0.099 Uiso 0.632(16) 1 calc R U P A 1
C4 C 1.1912(19) 0.3681(16) 0.1687(16) 0.081(4) Uani 1 1 d . U . . .
C5 C 1.0882(18) 0.4058(15) 0.1259(15) 0.075(4) Uani 1 1 d . U . . .
H5A H 1.0629 0.4123 0.0558 0.090 Uiso 0.368(16) 1 calc R U P A 2
C6 C 1.0178(17) 0.4357(14) 0.1816(15) 0.075(4) Uani 1 1 d . U . . .
H6 H 0.9458 0.4616 0.1507 0.090 Uiso 1 1 calc R U . . .
C7 C 0.708(2) 0.2056(16) 0.1026(18) 0.109(7) Uani 1 1 d . U . . .
H7A H 0.7301 0.2257 0.0508 0.163 Uiso 1 1 calc R U . . .
H7B H 0.6379 0.1497 0.0638 0.163 Uiso 1 1 calc R U . . .
H7C H 0.7752 0.1814 0.1513 0.163 Uiso 1 1 calc R U . . .
C8 C 0.6269(17) 0.3231(17) 0.3238(16) 0.091(6) Uani 1 1 d . U . . .
H8A H 0.6699 0.3843 0.3870 0.136 Uiso 1 1 calc R U . . .
H8B H 0.6530 0.2605 0.3415 0.136 Uiso 1 1 calc R U . . .
H8C H 0.5404 0.3182 0.3022 0.136 Uiso 1 1 calc R U . . .
C9 C 0.5362(17) 0.4107(19) 0.0903(17) 0.105(7) Uani 1 1 d . U . . .
H9A H 0.5620 0.4863 0.1190 0.158 Uiso 1 1 calc R U . . .
H9B H 0.4570 0.3932 0.0873 0.158 Uiso 1 1 calc R U . . .
H9C H 0.5317 0.3858 0.0176 0.158 Uiso 1 1 calc R U . . .
C10 C 0.7110(17) 0.6715(17) 0.3562(18) 0.091(5) Uani 1 1 d . U . . .
H10A H 0.6779 0.5970 0.3273 0.137 Uiso 1 1 calc R U . . .
H10B H 0.6495 0.7101 0.3220 0.137 Uiso 1 1 calc R U . . .
H10C H 0.7365 0.6950 0.4343 0.137 Uiso 1 1 calc R U . . .
C11 C 0.9621(17) 0.8479(15) 0.4157(18) 0.097(7) Uani 1 1 d . U . . .
H11A H 1.0365 0.8554 0.4074 0.146 Uiso 1 1 calc R U . . .
H11B H 0.9815 0.8584 0.4918 0.146 Uiso 1 1 calc R U . . .
H11C H 0.9146 0.8998 0.3912 0.146 Uiso 1 1 calc R U . . .
C12 C 0.8216(19) 0.6579(17) 0.1574(14) 0.092(6) Uani 1 1 d . U . . .
H12A H 0.8961 0.6630 0.1488 0.138 Uiso 1 1 calc R U . . .
H12B H 0.7722 0.7055 0.1255 0.138 Uiso 1 1 calc R U . . .
H12C H 0.7774 0.5865 0.1210 0.138 Uiso 1 1 calc R U . . .
C13 C 0.5865(15) 0.9665(13) 0.2993(14) 0.061(3) Uani 1 1 d . U . . .
C14 C 0.5604(17) 0.8955(16) 0.2030(15) 0.078(4) Uani 1 1 d . U . . .
H14 H 0.4910 0.8431 0.1684 0.093 Uiso 1 1 calc R U . . .
C15 C 0.6397(17) 0.9018(15) 0.1556(15) 0.074(4) Uani 1 1 d . U . . .
H15 H 0.6209 0.8533 0.0873 0.089 Uiso 0.092(19) 1 calc R U P B 2
C16 C 0.7418(16) 0.9738(15) 0.2028(15) 0.069(4) Uani 1 1 d . U . . .
C17 C 0.7702(17) 1.0438(16) 0.3001(15) 0.077(4) Uani 1 1 d D U . . .
H17 H 0.8400 1.0955 0.3324 0.092 Uiso 0.908(19) 1 calc R U P B 1
C18 C 0.6966(16) 1.0406(15) 0.3543(15) 0.077(4) Uani 1 1 d . U . . .
H18 H 0.7194 1.0861 0.4249 0.093 Uiso 1 1 calc R U . . .
C19 C 0.3294(18) 0.6412(14) 0.1486(15) 0.086(6) Uani 1 1 d . U . . .
H19A H 0.3002 0.6940 0.1134 0.130 Uiso 1 1 calc R U . . .
H19B H 0.2695 0.5773 0.1117 0.130 Uiso 1 1 calc R U . . .
H19C H 0.4048 0.6266 0.1451 0.130 Uiso 1 1 calc R U . . .
C20 C 0.449(2) 0.6013(16) 0.4103(18) 0.096(6) Uani 1 1 d . U . . .
H20A H 0.5147 0.6450 0.4778 0.145 Uiso 1 1 calc R U . . .
H20B H 0.4812 0.5503 0.3706 0.145 Uiso 1 1 calc R U . . .
H20C H 0.3916 0.5649 0.4264 0.145 Uiso 1 1 calc R U . . .
C21 C 0.2012(17) 0.7368(15) 0.3318(18) 0.093(6) Uani 1 1 d . U . . .
H21A H 0.1977 0.8099 0.3364 0.139 Uiso 1 1 calc R U . . .
H21B H 0.2039 0.7255 0.3977 0.139 Uiso 1 1 calc R U . . .
H21C H 0.1300 0.6929 0.2695 0.139 Uiso 1 1 calc R U . . .
C22 C 0.287(2) 1.079(2) 0.1180(19) 0.121(8) Uani 1 1 d . U . . .
H22A H 0.3116 1.1520 0.1625 0.181 Uiso 1 1 calc R U . . .
H22B H 0.2295 1.0740 0.0445 0.181 Uiso 1 1 calc R U . . .
H22C H 0.3570 1.0497 0.1162 0.181 Uiso 1 1 calc R U . . .
C23 C 0.149(2) 1.0761(19) 0.308(2) 0.118(8) Uani 1 1 d . U . . .
H23A H 0.0683 1.0438 0.2910 0.177 Uiso 1 1 calc R U . . .
H23B H 0.1498 1.1491 0.3108 0.177 Uiso 1 1 calc R U . . .
H23C H 0.2055 1.0720 0.3786 0.177 Uiso 1 1 calc R U . . .
C24 C 0.065(2) 0.864(2) 0.061(2) 0.139(10) Uani 1 1 d . U . . .
H24A H 0.1033 0.8099 0.0327 0.208 Uiso 1 1 calc R U . . .
H24B H 0.0114 0.8885 0.0030 0.208 Uiso 1 1 calc R U . . .
H24C H 0.0193 0.8363 0.0934 0.208 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
Te1 O3 1.892(9) . ?
Te1 O4 1.900(9) . ?
Te1 O1 1.931(10) . ?
Te1 O2 1.939(8) . ?
Te1 O2 1.964(9) 2_766 ?
Te1 C1 2.120(15) . ?
Te1 Te1 3.0069(19) 2_766 ?
Te2 O8 1.891(10) . ?
Te2 O7 1.903(9) . ?
Te2 O5 1.945(9) . ?
Te2 O6 1.949(9) 2_676 ?
Te2 O6 1.960(10) . ?
Te2 C13 2.111(15) . ?
Te2 Te2 3.0103(19) 2_676 ?
Sn1 O4 2.018(9) . ?
Sn1 C11 2.053(19) . ?
Sn1 C12 2.076(17) . ?
Sn1 C10 2.109(17) . ?
Sn2 O3 1.994(9) . ?
Sn2 C8 2.089(18) . ?
Sn2 C7 2.10(2) . ?
Sn2 C9 2.131(18) . ?
Sn3 O7 1.986(9) . ?
Sn3 C19 2.101(18) . ?
Sn3 C21 2.105(17) . ?
Sn3 C20 2.11(2) . ?
Sn4 O8 2.001(10) . ?
Sn4 C22 2.09(2) . ?
Sn4 C24 2.14(2) . ?
Sn4 C23 2.15(2) . ?
F1 C4 1.362(18) . ?
F2 C5 1.35(2) . ?
F3 C16 1.338(17) . ?
F4 C15 1.36(2) . ?
F2' C3 1.340(10) . ?
F4' C17 1.349(10) . ?
O2 Te1 1.964(9) 2_766 ?
O6 Te2 1.949(9) 2_676 ?
C1 C6 1.34(2) . ?
C1 C2 1.36(2) . ?
C2 C3 1.38(2) . ?
C3 C4 1.26(2) . ?
C4 C5 1.33(3) . ?
C5 C6 1.38(2) . ?
C13 C14 1.33(2) . ?
C13 C18 1.41(2) . ?
C14 C15 1.38(2) . ?
C15 C16 1.33(2) . ?
C16 C17 1.32(2) . ?
C17 C18 1.39(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
O3 Te1 O4 89.9(4) . . ?
O3 Te1 O1 89.8(4) . . ?
O4 Te1 O1 178.1(4) . . ?
O3 Te1 O2 93.2(4) . . ?
O4 Te1 O2 90.3(4) . . ?
O1 Te1 O2 87.9(4) . . ?
O3 Te1 O2 172.3(4) . 2_766 ?
O4 Te1 O2 89.2(4) . 2_766 ?
O1 Te1 O2 90.8(4) . 2_766 ?
O2 Te1 O2 79.2(4) . 2_766 ?
O3 Te1 C1 95.7(6) . . ?
O4 Te1 C1 92.3(6) . . ?
O1 Te1 C1 89.6(6) . . ?
O2 Te1 C1 170.8(6) . . ?
O2 Te1 C1 91.9(6) 2_766 . ?
O3 Te1 Te1 133.1(3) . 2_766 ?
O4 Te1 Te1 89.7(3) . 2_766 ?
O1 Te1 Te1 89.2(3) . 2_766 ?
O2 Te1 Te1 39.9(3) . 2_766 ?
O2 Te1 Te1 39.3(2) 2_766 2_766 ?
C1 Te1 Te1 131.2(5) . 2_766 ?
O8 Te2 O7 89.0(4) . . ?
O8 Te2 O5 89.8(5) . . ?
O7 Te2 O5 178.0(4) . . ?
O8 Te2 O6 92.9(4) . 2_676 ?
O7 Te2 O6 90.6(4) . 2_676 ?
O5 Te2 O6 87.9(4) . 2_676 ?
O8 Te2 O6 172.2(4) . . ?
O7 Te2 O6 90.3(4) . . ?
O5 Te2 O6 90.6(4) . . ?
O6 Te2 O6 79.3(4) 2_676 . ?
O8 Te2 C13 95.6(6) . . ?
O7 Te2 C13 93.1(5) . . ?
O5 Te2 C13 88.6(5) . . ?
O6 Te2 C13 170.8(6) 2_676 . ?
O6 Te2 C13 92.3(5) . . ?
O8 Te2 Te2 132.7(3) . 2_676 ?
O7 Te2 Te2 90.6(3) . 2_676 ?
O5 Te2 Te2 89.1(3) . 2_676 ?
O6 Te2 Te2 39.8(3) 2_676 2_676 ?
O6 Te2 Te2 39.5(3) . 2_676 ?
C13 Te2 Te2 131.7(5) . 2_676 ?
O4 Sn1 C11 97.8(6) . . ?
O4 Sn1 C12 107.1(6) . . ?
C11 Sn1 C12 115.0(9) . . ?
O4 Sn1 C10 110.7(6) . . ?
C11 Sn1 C10 110.7(9) . . ?
C12 Sn1 C10 114.3(9) . . ?
O3 Sn2 C8 107.5(6) . . ?
O3 Sn2 C7 106.5(7) . . ?
C8 Sn2 C7 118.9(9) . . ?
O3 Sn2 C9 96.3(7) . . ?
C8 Sn2 C9 113.3(8) . . ?
C7 Sn2 C9 111.4(9) . . ?
O7 Sn3 C19 106.5(6) . . ?
O7 Sn3 C21 110.7(6) . . ?
C19 Sn3 C21 112.9(8) . . ?
O7 Sn3 C20 98.3(7) . . ?
C19 Sn3 C20 114.6(8) . . ?
C21 Sn3 C20 112.6(9) . . ?
O8 Sn4 C22 104.6(8) . . ?
O8 Sn4 C24 96.5(8) . . ?
C22 Sn4 C24 112.4(10) . . ?
O8 Sn4 C23 107.4(7) . . ?
C22 Sn4 C23 120.6(10) . . ?
C24 Sn4 C23 112.0(10) . . ?
Te1 O2 Te1 100.8(4) . 2_766 ?
Te1 O3 Sn2 127.0(5) . . ?
Te1 O4 Sn1 124.0(5) . . ?
Te2 O6 Te2 100.7(4) 2_676 . ?
Te2 O7 Sn3 126.3(5) . . ?
Te2 O8 Sn4 123.6(5) . . ?
C6 C1 C2 121.6(15) . . ?
C6 C1 Te1 120.4(13) . . ?
C2 C1 Te1 118.0(12) . . ?
C1 C2 C3 116.3(16) . . ?
C4 C3 F2' 119(2) . . ?
C4 C3 C2 124.3(18) . . ?
F2' C3 C2 117(2) . . ?
C3 C4 C5 118.7(17) . . ?
C3 C4 F1 124.2(19) . . ?
C5 C4 F1 117.1(18) . . ?
C4 C5 F2 118.7(17) . . ?
C4 C5 C6 122.6(17) . . ?
F2 C5 C6 118.8(18) . . ?
C1 C6 C5 116.5(17) . . ?
C14 C13 C18 120.3(15) . . ?
C14 C13 Te2 121.1(13) . . ?
C18 C13 Te2 118.4(12) . . ?
C13 C14 C15 117.9(18) . . ?
C16 C15 F4 118.2(16) . . ?
C16 C15 C14 123.4(18) . . ?
F4 C15 C14 118.3(16) . . ?
C17 C16 C15 119.3(16) . . ?
C17 C16 F3 122.0(16) . . ?
C15 C16 F3 118.7(16) . . ?
C16 C17 F4' 103(5) . . ?
C16 C17 C18 120.6(18) . . ?
F4' C17 C18 133(6) . . ?
C17 C18 C13 118.3(17) . . ?

_refine_diff_density_max         1.937
_refine_diff_density_min         -1.511
_refine_diff_density_rms         0.289

_shelxl_version_number           2014/6

####################################################################### 
# 
# 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_complex4
_database_code_depnum_ccdc_archive 'CCDC 1916372'
loop_
_audit_author_name
_audit_author_address
'Chunlin Ma'
;Liaocheng University
China
;
_audit_update_record             
;
2019-05-16 deposited with the CCDC.	2019-05-21 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            'C84 H68 F4 O8 Sn4 Te2'
_chemical_formula_weight         2011.34

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'
F F 0.0171 0.0103 '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'
Sn Sn -0.6537 1.4246 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Te Te -0.5308 1.6751 '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                   13.7050(13)
_cell_length_b                   13.7070(12)
_cell_length_c                   14.2301(14)
_cell_angle_alpha                65.165(2)
_cell_angle_beta                 64.435(3)
_cell_angle_gamma                73.152(3)
_cell_volume                     2169.1(4)
_cell_formula_units_Z            1
_cell_measurement_temperature    298(2)
_cell_measurement_reflns_used    4308
_cell_measurement_theta_min      2.736
_cell_measurement_theta_max      26.968

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.540
_exptl_crystal_F_000             976
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.450
_exptl_crystal_size_mid          0.420
_exptl_crystal_size_min          0.310
_exptl_absorpt_coefficient_mu    1.855
_shelx_estimated_absorpt_T_min   0.489
_shelx_estimated_absorpt_T_max   0.597
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4891
_exptl_absorpt_correction_T_max  0.5971
_exptl_absorpt_process_details   sadabs
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      298(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            10883
_diffrn_reflns_av_unetI/netI     0.0486
_diffrn_reflns_av_R_equivalents  0.0185
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         2.494
_diffrn_reflns_theta_max         25.017
_diffrn_reflns_theta_full        25.017
_diffrn_measured_fraction_theta_max 0.977
_diffrn_measured_fraction_theta_full 0.977
_diffrn_reflns_Laue_measured_fraction_max 0.977
_diffrn_reflns_Laue_measured_fraction_full 0.977
_diffrn_reflns_point_group_measured_fraction_max 0.977
_diffrn_reflns_point_group_measured_fraction_full 0.977
_reflns_number_total             7475
_reflns_number_gt                5178
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_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)+(0.0551P)²+1.4624P] 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         7475
_refine_ls_number_parameters     464
_refine_ls_number_restraints     174
_refine_ls_R_factor_all          0.0760
_refine_ls_R_factor_gt           0.0414
_refine_ls_wR_factor_ref         0.1179
_refine_ls_wR_factor_gt          0.0999
_refine_ls_goodness_of_fit_ref   1.084
_refine_ls_restrained_S_all      1.107
_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
Te1 Te 0.58554(3) 0.49536(3) 0.39020(3) 0.03835(13) Uani 1 1 d . . . . .
Sn1 Sn 0.71939(4) 0.24681(3) 0.37182(4) 0.04713(15) Uani 1 1 d . . . . .
Sn2 Sn 0.80097(4) 0.55619(4) 0.41973(4) 0.04651(15) Uani 1 1 d . . . . .
F1 F 0.6593(11) 0.5799(9) -0.0358(10) 0.141(3) Uani 0.540(8) 1 d . U P A 1
F1' F 0.5269(13) 0.8581(11) 0.0592(12) 0.141(3) Uani 0.460(8) 1 d . . P A 2
F2 F 0.6294(4) 0.7816(4) -0.0937(4) 0.1009(16) Uani 1 1 d . U . . .
O1 O 0.7162(3) 0.4019(3) 0.3510(4) 0.0440(11) Uani 1 1 d . . . . .
O2 O 0.5099(3) 0.3918(3) 0.3942(4) 0.0474(11) Uani 1 1 d . . . . .
H2 H 0.454617 0.381489 0.449942 0.057 Uiso 1 1 calc R U . . .
O3 O 0.4464(3) 0.5803(3) 0.4503(3) 0.0409(10) Uani 1 1 d . . . . .
O4 O 0.6623(3) 0.5907(3) 0.3917(4) 0.0472(11) Uani 1 1 d . . . . .
C1 C 0.5930(6) 0.5911(6) 0.2273(6) 0.0579(16) Uani 1 1 d . U . . .
C2 C 0.6287(8) 0.5478(7) 0.1475(7) 0.088(2) Uani 1 1 d . U . . .
H2A H 0.645487 0.473018 0.164508 0.105 Uiso 1 1 calc R U . . .
C3 C 0.6403(9) 0.6152(8) 0.0398(8) 0.094(2) Uani 1 1 d . U . . .
H3 H 0.666471 0.584064 -0.014885 0.112 Uiso 0.460(8) 1 calc R U P A 2
C4 C 0.6165(8) 0.7186(7) 0.0120(7) 0.0774(19) Uani 1 1 d . U . . .
C5 C 0.5792(9) 0.7612(7) 0.0919(8) 0.097(2) Uani 1 1 d . U . . .
H5 H 0.562685 0.836137 0.072974 0.116 Uiso 0.540(8) 1 calc R U P A 1
C6 C 0.5643(8) 0.6999(7) 0.2003(7) 0.091(2) Uani 1 1 d . U . . .
H6 H 0.534988 0.732190 0.254330 0.109 Uiso 1 1 calc R U . . .
C7 C 0.8918(5) 0.2034(5) 0.3307(6) 0.0513(17) Uani 1 1 d . . . . .
C8 C 0.9611(6) 0.2790(6) 0.2584(7) 0.072(2) Uani 1 1 d . . . . .
H8 H 0.931732 0.350379 0.229418 0.086 Uiso 1 1 calc R U . . .
C9 C 1.0742(7) 0.2532(8) 0.2266(9) 0.090(3) Uani 1 1 d . . . . .
H9 H 1.119817 0.305927 0.176660 0.108 Uiso 1 1 calc R U . . .
C10 C 1.1167(7) 0.1468(8) 0.2715(8) 0.086(3) Uani 1 1 d . . . . .
H10 H 1.191647 0.128045 0.254911 0.103 Uiso 1 1 calc R U . . .
C11 C 1.0487(7) 0.0694(7) 0.3402(9) 0.087(3) Uani 1 1 d . . . . .
H11 H 1.077373 -0.002952 0.365949 0.104 Uiso 1 1 calc R U . . .
C12 C 0.9386(6) 0.0986(6) 0.3707(8) 0.077(3) Uani 1 1 d . . . . .
H12 H 0.893298 0.045610 0.420562 0.093 Uiso 1 1 calc R U . . .
C13 C 0.6329(5) 0.1572(5) 0.5390(6) 0.0502(17) Uani 1 1 d . . . . .
C14 C 0.6754(7) 0.1345(6) 0.6186(7) 0.068(2) Uani 1 1 d . . . . .
H14 H 0.737730 0.163311 0.599790 0.081 Uiso 1 1 calc R U . . .
C15 C 0.6264(8) 0.0693(7) 0.7264(8) 0.080(3) Uani 1 1 d . . . . .
H15 H 0.656493 0.053129 0.779502 0.096 Uiso 1 1 calc R U . . .
C16 C 0.5342(9) 0.0289(7) 0.7546(8) 0.088(3) Uani 1 1 d . . . . .
H16 H 0.500519 -0.014054 0.827394 0.106 Uiso 1 1 calc R U . . .
C17 C 0.4915(8) 0.0511(7) 0.6771(9) 0.096(3) Uani 1 1 d . . . . .
H17 H 0.428243 0.023534 0.696777 0.115 Uiso 1 1 calc R U . . .
C18 C 0.5417(6) 0.1153(6) 0.5678(7) 0.074(2) Uani 1 1 d . . . . .
H18 H 0.512615 0.129271 0.514509 0.089 Uiso 1 1 calc R U . . .
C19 C 0.6801(6) 0.2333(6) 0.2488(6) 0.0557(18) Uani 1 1 d . . . . .
C20 C 0.7598(8) 0.1948(9) 0.1708(8) 0.098(3) Uani 1 1 d . . . . .
H20 H 0.830707 0.177934 0.170464 0.118 Uiso 1 1 calc R U . . .
C21 C 0.7394(10) 0.1794(10) 0.0907(9) 0.115(4) Uani 1 1 d . U . . .
H21 H 0.795171 0.148805 0.040510 0.138 Uiso 1 1 calc R U . . .
C22 C 0.6369(11) 0.2094(11) 0.0862(9) 0.115(4) Uani 1 1 d . . . . .
H22 H 0.623346 0.204984 0.029525 0.138 Uiso 1 1 calc R U . . .
C23 C 0.5577(10) 0.2446(10) 0.1635(11) 0.114(4) Uani 1 1 d . . . . .
H23 H 0.487148 0.262323 0.162800 0.137 Uiso 1 1 calc R U . . .
C24 C 0.5770(7) 0.2558(8) 0.2449(9) 0.093(3) Uani 1 1 d . . . . .
H24 H 0.518718 0.279164 0.299263 0.112 Uiso 1 1 calc R U . . .
C25 C 0.7736(6) 0.6855(6) 0.4782(7) 0.0565(19) Uani 1 1 d . . . . .
C26 C 0.7689(7) 0.6665(7) 0.5827(8) 0.077(2) Uani 1 1 d . . . . .
H26 H 0.780770 0.595616 0.628613 0.093 Uiso 1 1 calc R U . . .
C27 C 0.7468(9) 0.7512(10) 0.6210(10) 0.107(3) Uani 1 1 d . . . . .
H27 H 0.743108 0.737099 0.692282 0.128 Uiso 1 1 calc R U . . .
C28 C 0.7305(8) 0.8545(9) 0.5538(12) 0.103(4) Uani 1 1 d . . . . .
H28 H 0.715769 0.911590 0.579172 0.123 Uiso 1 1 calc R U . . .
C29 C 0.7356(9) 0.8753(8) 0.4515(12) 0.108(4) Uani 1 1 d . . . . .
H29 H 0.725550 0.946732 0.405800 0.130 Uiso 1 1 calc R U . . .
C30 C 0.7556(9) 0.7912(7) 0.4123(9) 0.095(3) Uani 1 1 d . . . . .
H30 H 0.756724 0.806450 0.341668 0.114 Uiso 1 1 calc R U . . .
C31 C 0.8199(6) 0.4051(6) 0.5448(6) 0.0553(18) Uani 1 1 d . . . . .
C32 C 0.9164(7) 0.3347(6) 0.5232(8) 0.076(2) Uani 1 1 d . . . . .
H32 H 0.969593 0.350793 0.452629 0.091 Uiso 1 1 calc R U . . .
C33 C 0.9327(9) 0.2413(8) 0.6065(12) 0.105(4) Uani 1 1 d . . . . .
H33 H 0.996663 0.193776 0.590602 0.126 Uiso 1 1 calc R U . . .
C34 C 0.8594(12) 0.2163(9) 0.7101(12) 0.113(4) Uani 1 1 d . . . . .
H34 H 0.873484 0.153922 0.765945 0.136 Uiso 1 1 calc R U . . .
C35 C 0.7641(10) 0.2838(9) 0.7323(8) 0.101(3) Uani 1 1 d . . . . .
H35 H 0.711402 0.265585 0.803118 0.121 Uiso 1 1 calc R U . . .
C36 C 0.7441(7) 0.3792(6) 0.6510(7) 0.069(2) Uani 1 1 d . . . . .
H36 H 0.679660 0.425742 0.668064 0.083 Uiso 1 1 calc R U . . .
C37 C 0.9267(6) 0.5744(5) 0.2615(6) 0.0554(18) Uani 1 1 d . . . . .
C38 C 1.0320(7) 0.5736(8) 0.2476(8) 0.090(3) Uani 1 1 d . . . . .
H38 H 1.048066 0.568625 0.306817 0.108 Uiso 1 1 calc R U . . .
C39 C 1.1158(9) 0.5802(12) 0.1452(13) 0.142(5) Uani 1 1 d . . . . .
H39 H 1.187921 0.575349 0.137279 0.171 Uiso 1 1 calc R U . . .
C40 C 1.0910(12) 0.5939(11) 0.0574(10) 0.130(5) Uani 1 1 d . . . . .
H40 H 1.145820 0.602577 -0.011836 0.156 Uiso 1 1 calc R U . . .
C41 C 0.9861(10) 0.5950(8) 0.0701(8) 0.103(3) Uani 1 1 d . . . . .
H41 H 0.969709 0.602428 0.010238 0.124 Uiso 1 1 calc R U . . .
C42 C 0.9046(7) 0.5850(7) 0.1724(7) 0.076(2) Uani 1 1 d . . . . .
H42 H 0.833279 0.585470 0.181034 0.092 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
Te1 O1 1.889(4) . ?
Te1 O4 1.912(4) . ?
Te1 O2 1.957(4) . ?
Te1 O3 1.961(4) 2_666 ?
Te1 O3 1.966(4) . ?
Te1 C1 2.103(7) . ?
Te1 Te1 3.0194(9) 2_666 ?
Sn1 O1 2.009(4) . ?
Sn1 C13 2.128(7) . ?
Sn1 C19 2.128(7) . ?
Sn1 C7 2.136(6) . ?
Sn2 O4 1.992(4) . ?
Sn2 C31 2.125(7) . ?
Sn2 C37 2.128(7) . ?
Sn2 C25 2.136(7) . ?
F1 C3 1.257(14) . ?
F1' C5 1.309(14) . ?
F2 C4 1.344(9) . ?
O2 H2 0.8200 . ?
C1 C2 1.341(11) . ?
C1 C6 1.355(10) . ?
C2 C3 1.383(11) . ?
C2 H2A 0.9300 . ?
C3 C4 1.283(11) . ?
C3 H3 0.9300 . ?
C4 C5 1.334(12) . ?
C5 C6 1.365(11) . ?
C5 H5 0.9300 . ?
C6 H6 0.9300 . ?
C7 C8 1.367(10) . ?
C7 C12 1.376(9) . ?
C8 C9 1.394(10) . ?
C8 H8 0.9300 . ?
C9 C10 1.387(11) . ?
C9 H9 0.9300 . ?
C10 C11 1.366(12) . ?
C10 H10 0.9300 . ?
C11 C12 1.362(10) . ?
C11 H11 0.9300 . ?
C12 H12 0.9300 . ?
C13 C18 1.355(10) . ?
C13 C14 1.375(10) . ?
C14 C15 1.382(11) . ?
C14 H14 0.9300 . ?
C15 C16 1.358(12) . ?
C15 H15 0.9300 . ?
C16 C17 1.351(13) . ?
C16 H16 0.9300 . ?
C17 C18 1.395(12) . ?
C17 H17 0.9300 . ?
C18 H18 0.9300 . ?
C19 C20 1.348(11) . ?
C19 C24 1.378(10) . ?
C20 C21 1.390(13) . ?
C20 H20 0.9300 . ?
C21 C22 1.366(14) . ?
C21 H21 0.9300 . ?
C22 C23 1.317(14) . ?
C22 H22 0.9300 . ?
C23 C24 1.368(13) . ?
C23 H23 0.9300 . ?
C24 H24 0.9300 . ?
C25 C26 1.373(11) . ?
C25 C30 1.375(10) . ?
C26 C27 1.385(12) . ?
C26 H26 0.9300 . ?
C27 C28 1.355(13) . ?
C27 H27 0.9300 . ?
C28 C29 1.336(14) . ?
C28 H28 0.9300 . ?
C29 C30 1.393(13) . ?
C29 H29 0.9300 . ?
C30 H30 0.9300 . ?
C31 C36 1.377(10) . ?
C31 C32 1.390(10) . ?
C32 C33 1.372(12) . ?
C32 H32 0.9300 . ?
C33 C34 1.341(15) . ?
C33 H33 0.9300 . ?
C34 C35 1.361(15) . ?
C34 H34 0.9300 . ?
C35 C36 1.385(12) . ?
C35 H35 0.9300 . ?
C36 H36 0.9300 . ?
C37 C38 1.367(10) . ?
C37 C42 1.368(11) . ?
C38 C39 1.399(14) . ?
C38 H38 0.9300 . ?
C39 C40 1.358(17) . ?
C39 H39 0.9300 . ?
C40 C41 1.366(16) . ?
C40 H40 0.9300 . ?
C41 C42 1.380(12) . ?
C41 H41 0.9300 . ?
C42 H42 0.9300 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Te1 O4 91.09(17) . . ?
O1 Te1 O2 87.30(17) . . ?
O4 Te1 O2 177.09(17) . . ?
O1 Te1 O3 93.34(17) . 2_666 ?
O4 Te1 O3 89.80(18) . 2_666 ?
O2 Te1 O3 87.87(17) . 2_666 ?
O1 Te1 O3 172.81(17) . . ?
O4 Te1 O3 89.74(17) . . ?
O2 Te1 O3 91.55(17) . . ?
O3 Te1 O3 79.51(16) 2_666 . ?
O1 Te1 C1 96.3(2) . . ?
O4 Te1 C1 91.4(2) . . ?
O2 Te1 C1 91.2(2) . . ?
O3 Te1 C1 170.2(2) 2_666 . ?
O3 Te1 C1 90.8(2) . . ?
O1 Te1 Te1 133.15(13) . 2_666 ?
O4 Te1 Te1 89.70(14) . 2_666 ?
O2 Te1 Te1 89.63(13) . 2_666 ?
O3 Te1 Te1 39.81(11) 2_666 2_666 ?
O3 Te1 Te1 39.70(11) . 2_666 ?
C1 Te1 Te1 130.5(2) . 2_666 ?
O1 Sn1 C13 111.9(2) . . ?
O1 Sn1 C19 112.2(2) . . ?
C13 Sn1 C19 116.0(3) . . ?
O1 Sn1 C7 96.3(2) . . ?
C13 Sn1 C7 111.5(3) . . ?
C19 Sn1 C7 107.1(3) . . ?
O4 Sn2 C31 115.3(2) . . ?
O4 Sn2 C37 105.0(2) . . ?
C31 Sn2 C37 114.5(3) . . ?
O4 Sn2 C25 97.5(2) . . ?
C31 Sn2 C25 109.6(3) . . ?
C37 Sn2 C25 113.7(3) . . ?
Te1 O1 Sn1 123.1(2) . . ?
Te1 O2 H2 109.5 . . ?
Te1 O3 Te1 100.49(16) 2_666 . ?
Te1 O4 Sn2 128.6(2) . . ?
C2 C1 C6 118.4(8) . . ?
C2 C1 Te1 121.7(6) . . ?
C6 C1 Te1 119.8(6) . . ?
C1 C2 C3 119.5(8) . . ?
C1 C2 H2A 120.2 . . ?
C3 C2 H2A 120.2 . . ?
F1 C3 C4 113.6(10) . . ?
F1 C3 C2 122.7(11) . . ?
C4 C3 C2 122.9(9) . . ?
C4 C3 H3 118.5 . . ?
C2 C3 H3 118.5 . . ?
C3 C4 C5 117.3(9) . . ?
C3 C4 F2 121.3(9) . . ?
C5 C4 F2 121.3(8) . . ?
F1' C5 C4 108.9(11) . . ?
F1' C5 C6 124.1(11) . . ?
C4 C5 C6 123.1(9) . . ?
C4 C5 H5 118.4 . . ?
C6 C5 H5 118.4 . . ?
C1 C6 C5 118.5(9) . . ?
C1 C6 H6 120.7 . . ?
C5 C6 H6 120.7 . . ?
C8 C7 C12 116.9(7) . . ?
C8 C7 Sn1 120.7(5) . . ?
C12 C7 Sn1 122.4(6) . . ?
C7 C8 C9 122.4(7) . . ?
C7 C8 H8 118.8 . . ?
C9 C8 H8 118.8 . . ?
C10 C9 C8 118.1(9) . . ?
C10 C9 H9 120.9 . . ?
C8 C9 H9 120.9 . . ?
C11 C10 C9 120.1(8) . . ?
C11 C10 H10 120.0 . . ?
C9 C10 H10 120.0 . . ?
C12 C11 C10 119.7(8) . . ?
C12 C11 H11 120.2 . . ?
C10 C11 H11 120.2 . . ?
C11 C12 C7 122.6(8) . . ?
C11 C12 H12 118.7 . . ?
C7 C12 H12 118.7 . . ?
C18 C13 C14 119.1(7) . . ?
C18 C13 Sn1 121.9(6) . . ?
C14 C13 Sn1 118.8(5) . . ?
C13 C14 C15 120.5(8) . . ?
C13 C14 H14 119.7 . . ?
C15 C14 H14 119.7 . . ?
C16 C15 C14 119.9(9) . . ?
C16 C15 H15 120.1 . . ?
C14 C15 H15 120.1 . . ?
C17 C16 C15 120.0(9) . . ?
C17 C16 H16 120.0 . . ?
C15 C16 H16 120.0 . . ?
C16 C17 C18 120.3(9) . . ?
C16 C17 H17 119.8 . . ?
C18 C17 H17 119.8 . . ?
C13 C18 C17 120.1(9) . . ?
C13 C18 H18 119.9 . . ?
C17 C18 H18 119.9 . . ?
C20 C19 C24 115.9(8) . . ?
C20 C19 Sn1 118.9(6) . . ?
C24 C19 Sn1 125.1(6) . . ?
C19 C20 C21 122.1(9) . . ?
C19 C20 H20 118.9 . . ?
C21 C20 H20 118.9 . . ?
C22 C21 C20 119.6(10) . . ?
C22 C21 H21 120.2 . . ?
C20 C21 H21 120.2 . . ?
C23 C22 C21 118.8(11) . . ?
C23 C22 H22 120.6 . . ?
C21 C22 H22 120.6 . . ?
C22 C23 C24 121.4(11) . . ?
C22 C23 H23 119.3 . . ?
C24 C23 H23 119.3 . . ?
C23 C24 C19 121.9(9) . . ?
C23 C24 H24 119.0 . . ?
C19 C24 H24 119.0 . . ?
C26 C25 C30 118.1(8) . . ?
C26 C25 Sn2 121.9(6) . . ?
C30 C25 Sn2 119.9(6) . . ?
C25 C26 C27 121.2(9) . . ?
C25 C26 H26 119.4 . . ?
C27 C26 H26 119.4 . . ?
C28 C27 C26 119.4(11) . . ?
C28 C27 H27 120.3 . . ?
C26 C27 H27 120.3 . . ?
C29 C28 C27 120.6(10) . . ?
C29 C28 H28 119.7 . . ?
C27 C28 H28 119.7 . . ?
C28 C29 C30 120.8(10) . . ?
C28 C29 H29 119.6 . . ?
C30 C29 H29 119.6 . . ?
C25 C30 C29 119.8(10) . . ?
C25 C30 H30 120.1 . . ?
C29 C30 H30 120.1 . . ?
C36 C31 C32 118.3(7) . . ?
C36 C31 Sn2 121.8(6) . . ?
C32 C31 Sn2 119.5(6) . . ?
C33 C32 C31 119.7(9) . . ?
C33 C32 H32 120.1 . . ?
C31 C32 H32 120.1 . . ?
C34 C33 C32 122.1(11) . . ?
C34 C33 H33 119.0 . . ?
C32 C33 H33 119.0 . . ?
C33 C34 C35 118.8(10) . . ?
C33 C34 H34 120.6 . . ?
C35 C34 H34 120.6 . . ?
C34 C35 C36 121.1(10) . . ?
C34 C35 H35 119.5 . . ?
C36 C35 H35 119.5 . . ?
C31 C36 C35 119.9(9) . . ?
C31 C36 H36 120.0 . . ?
C35 C36 H36 120.0 . . ?
C38 C37 C42 118.6(8) . . ?
C38 C37 Sn2 120.3(6) . . ?
C42 C37 Sn2 121.0(6) . . ?
C37 C38 C39 120.6(11) . . ?
C37 C38 H38 119.7 . . ?
C39 C38 H38 119.7 . . ?
C40 C39 C38 119.4(12) . . ?
C40 C39 H39 120.3 . . ?
C38 C39 H39 120.3 . . ?
C39 C40 C41 120.6(11) . . ?
C39 C40 H40 119.7 . . ?
C41 C40 H40 119.7 . . ?
C40 C41 C42 119.4(11) . . ?
C40 C41 H41 120.3 . . ?
C42 C41 H41 120.3 . . ?
C37 C42 C41 121.3(9) . . ?
C37 C42 H42 119.3 . . ?
C41 C42 H42 119.3 . . ?

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
O4 Te1 O1 Sn1 160.9(3) . . . . ?
O2 Te1 O1 Sn1 -16.7(3) . . . . ?
O3 Te1 O1 Sn1 71.0(3) 2_666 . . . ?
C1 Te1 O1 Sn1 -107.6(3) . . . . ?
Te1 Te1 O1 Sn1 70.3(3) 2_666 . . . ?
C6 C1 C2 C3 3.2(15) . . . . ?
Te1 C1 C2 C3 -174.9(7) . . . . ?
C1 C2 C3 F1 -170.4(13) . . . . ?
C1 C2 C3 C4 -1.3(17) . . . . ?
F1 C3 C4 C5 170.1(12) . . . . ?
C2 C3 C4 C5 0.1(17) . . . . ?
F1 C3 C4 F2 -10.4(17) . . . . ?
C2 C3 C4 F2 179.6(9) . . . . ?
C3 C4 C5 F1' -159.5(12) . . . . ?
F2 C4 C5 F1' 21.0(16) . . . . ?
C3 C4 C5 C6 -1.0(17) . . . . ?
F2 C4 C5 C6 179.5(9) . . . . ?
C2 C1 C6 C5 -4.0(15) . . . . ?
Te1 C1 C6 C5 174.1(8) . . . . ?
F1' C5 C6 C1 158.3(13) . . . . ?
C4 C5 C6 C1 3.0(17) . . . . ?
C12 C7 C8 C9 -0.7(13) . . . . ?
Sn1 C7 C8 C9 -177.8(7) . . . . ?
C7 C8 C9 C10 -0.7(14) . . . . ?
C8 C9 C10 C11 3.5(15) . . . . ?
C9 C10 C11 C12 -4.8(16) . . . . ?
C10 C11 C12 C7 3.4(15) . . . . ?
C8 C7 C12 C11 -0.6(14) . . . . ?
Sn1 C7 C12 C11 176.4(7) . . . . ?
C18 C13 C14 C15 0.4(11) . . . . ?
Sn1 C13 C14 C15 -174.8(6) . . . . ?
C13 C14 C15 C16 -1.3(12) . . . . ?
C14 C15 C16 C17 1.0(14) . . . . ?
C15 C16 C17 C18 0.2(15) . . . . ?
C14 C13 C18 C17 0.8(12) . . . . ?
Sn1 C13 C18 C17 175.8(6) . . . . ?
C16 C17 C18 C13 -1.1(14) . . . . ?
C24 C19 C20 C21 0.5(15) . . . . ?
Sn1 C19 C20 C21 177.2(8) . . . . ?
C19 C20 C21 C22 3.6(18) . . . . ?
C20 C21 C22 C23 -5.2(19) . . . . ?
C21 C22 C23 C24 3(2) . . . . ?
C22 C23 C24 C19 1.6(19) . . . . ?
C20 C19 C24 C23 -3.1(14) . . . . ?
Sn1 C19 C24 C23 -179.6(8) . . . . ?
C30 C25 C26 C27 -0.1(13) . . . . ?
Sn2 C25 C26 C27 -177.4(7) . . . . ?
C25 C26 C27 C28 -0.6(15) . . . . ?
C26 C27 C28 C29 0.1(17) . . . . ?
C27 C28 C29 C30 1.2(18) . . . . ?
C26 C25 C30 C29 1.3(14) . . . . ?
Sn2 C25 C30 C29 178.7(8) . . . . ?
C28 C29 C30 C25 -1.9(17) . . . . ?
C36 C31 C32 C33 1.3(12) . . . . ?
Sn2 C31 C32 C33 174.5(7) . . . . ?
C31 C32 C33 C34 -1.8(16) . . . . ?
C32 C33 C34 C35 2.5(18) . . . . ?
C33 C34 C35 C36 -2.7(17) . . . . ?
C32 C31 C36 C35 -1.5(12) . . . . ?
Sn2 C31 C36 C35 -174.6(6) . . . . ?
C34 C35 C36 C31 2.3(14) . . . . ?
C42 C37 C38 C39 -1.9(14) . . . . ?
Sn2 C37 C38 C39 176.9(9) . . . . ?
C37 C38 C39 C40 3.8(19) . . . . ?
C38 C39 C40 C41 -4(2) . . . . ?
C39 C40 C41 C42 2(2) . . . . ?
C38 C37 C42 C41 -0.1(13) . . . . ?
Sn2 C37 C42 C41 -178.9(7) . . . . ?
C40 C41 C42 C37 0.2(15) . . . . ?

_refine_diff_density_max         1.771
_refine_diff_density_min         -0.701
_refine_diff_density_rms         0.112



