# Supplementary Information (SI) for Journal of Materials Chemistry C.
# This journal is © The Royal Society of Chemistry 2025

####################################################################### 
# 
# 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_CR2c
_database_code_depnum_ccdc_archive 'CCDC 2407572'
loop_
_audit_author_name
_audit_author_address
'Hideki Fujiwara'
;Osaka Metropolitan University
Japan
;
_audit_update_record             
;
2024-12-04 deposited with the CCDC.	2025-05-07 downloaded from the CCDC.
;

#==============================================================================
# CHEMICAL DATA

_chemical_formula_sum            'C45 H26 Cl8 O3 Se2'
_chemical_formula_moiety         'C45 H26 Cl8 O3 Se2'
_chemical_formula_weight         1056.24
_chemical_melting_point          ?

#==============================================================================
# CRYSTAL DATA
_space_group_crystal_system      triclinic
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
_space_group_IT_number           2
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 +X,+Y,+Z
2 -X,-Y,-Z
#------------------------------------------------------------------------------
_cell_length_a                   10.45136(18)
_cell_length_b                   13.9753(2)
_cell_length_c                   16.3849(3)
_cell_angle_alpha                109.7451(15)
_cell_angle_beta                 107.6675(16)
_cell_angle_gamma                93.0604(13)
_cell_volume                     2113.56(7)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    17375
_cell_measurement_theta_min      2.94
_cell_measurement_theta_max      79.06
_cell_measurement_temperature    100
#------------------------------------------------------------------------------
_exptl_crystal_description       block
_exptl_crystal_colour            black
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.300
_exptl_crystal_size_min          0.100
_exptl_crystal_density_diffrn    1.660
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1048.00
_exptl_absorpt_coefficient_mu    7.180
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_absorpt_correction_T_min  0.134
_exptl_absorpt_correction_T_max  0.488

#==============================================================================
# EXPERIMENTAL DATA

_diffrn_ambient_temperature      100
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54187
_diffrn_measurement_device_type  'Rigaku XtaLAB Synergy'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 10.000
_diffrn_reflns_number            26817
_diffrn_reflns_av_unetI/netI     ?
_diffrn_reflns_av_R_equivalents  0.0512
_diffrn_reflns_theta_max         79.60
_diffrn_reflns_theta_min         3.050
_diffrn_reflns_theta_full        72.93
_diffrn_measured_fraction_theta_max 0.945
_diffrn_measured_fraction_theta_full 0.988
_diffrn_reflns_Laue_measured_fraction_max ?
_diffrn_reflns_Laue_measured_fraction_full ?
_diffrn_reflns_point_group_measured_fraction_max ?
_diffrn_reflns_point_group_measured_fraction_full ?
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_standards_number         0
_diffrn_standards_interval_count .
_diffrn_standards_decay_%        ?
_reflns_number_total             8695
_reflns_number_gt                7470
_reflns_threshold_expression     F>3.0σ(F)

#==============================================================================
# REFINEMENT DATA

_refine_special_details          
;
    Refinement was performed using reflections with F > 3.0 sigma(F).
    The weighted R-factor(wR), goodness of fit (S) and R-factor (gt) are 
    based on F, with F set to zero for negative F. The threshold expression of
    F > 3.0 sigma(F) is used only for calculating R-factor (gt).
;
_refine_ls_structure_factor_coef F
_refine_ls_R_factor_all          ?
_refine_ls_R_factor_gt           0.0517
_refine_ls_wR_factor_ref         0.0654
_refine_ls_wR_factor_gt          ?
_refine_ls_number_restraints     ?
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_reflns         7470
_refine_ls_number_parameters     612
_refine_ls_goodness_of_fit_ref   1.089
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
;
    Chebychev polynomial with 3 parameters (Carruthers & Watkin, 1979)
    7.3204    4.3319    5.0500
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_refine_ls_shift/su_max          0.000
_refine_diff_density_max         1.060
_refine_diff_density_min         -1.080
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(Vol. C, Table 6.1.1.4)
;
O O 0.0492 0.0322
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Se Se -0.7943 1.1372
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Cl Cl 0.3639 0.7018
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;

#==============================================================================
# ATOMIC COORDINATES AND THERMAL PARAMETERS

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_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Se1 Se 1.61811(3) 0.43905(2) 0.88757(2) 0.03069(9) Uani 1 2 d . . .
Se2 Se 0.35530(3) 0.40464(3) 0.27982(2) 0.03082(9) Uani 1 2 d . . .
Cl4 Cl 1.24597(12) 0.18564(7) 0.38786(7) 0.0575(3) Uani 1 2 d . . .
Cl7 Cl 1.23077(12) 0.77247(9) 0.96040(9) 0.0713(3) Uani 1 2 d . . .
Cl11 Cl 0.8313(4) 0.0716(3) 0.3332(3) 0.0841(10) Uani 0.666 2 d . . .
Cl12 Cl 0.8301(8) 0.0717(5) 0.3578(4) 0.0459(11) Uani 0.333 2 d . . .
Cl21 Cl 1.0825(3) -0.00758(14) 0.3946(2) 0.1061(8) Uani 0.666 2 d . . .
Cl22 Cl 1.0723(4) 0.0386(3) 0.4476(3) 0.0570(10) Uani 0.333 2 d . . .
Cl31 Cl 0.99809(19) 0.07933(16) 0.22101(11) 0.0677(5) Uani 0.666 2 d . . .
Cl32 Cl 1.0827(3) 0.0026(2) 0.23906(19) 0.0503(7) Uani 0.333 2 d . . .
Cl51 Cl 1.04677(19) 0.56288(13) 0.91321(13) 0.0587(5) Uani 0.666 2 d . . .
Cl52 Cl 1.0039(4) 0.5995(3) 0.9696(3) 0.0690(11) Uani 0.333 2 d . . .
Cl61 Cl 1.0826(3) 0.7330(3) 1.08921(16) 0.1036(10) Uani 0.666 2 d . . .
Cl62 Cl 1.0395(4) 0.8172(3) 1.0868(2) 0.0672(10) Uani 0.333 2 d . . .
Cl81 Cl 0.97769(17) 0.87292(12) 0.97288(13) 0.0606(5) Uani 0.666 2 d . . .
Cl82 Cl 1.0375(4) 0.8696(2) 0.9044(2) 0.0518(8) Uani 0.333 2 d . . .
O1 O 0.9785(2) 0.62639(17) 0.69977(16) 0.0342(6) Uani 1 2 d . . .
O2 O 1.1236(2) 0.31197(18) 0.57175(17) 0.0394(6) Uani 1 2 d . . .
O3 O 0.8897(2) 0.32030(17) 0.43695(16) 0.0337(5) Uani 1 2 d . . .
C1 C 1.4753(3) 0.3599(2) 0.77750(19) 0.0264(7) Uani 1 2 d . . .
C2 C 1.3651(3) 0.4001(2) 0.7417(2) 0.0275(7) Uani 1 2 d . . .
C3 C 1.3361(3) 0.5005(2) 0.7813(2) 0.0268(7) Uani 1 2 d . . .
C4 C 1.4297(3) 0.5753(2) 0.8650(2) 0.0284(7) Uani 1 2 d . . .
C5 C 1.5509(3) 0.5636(2) 0.9178(2) 0.0279(7) Uani 1 2 d . . .
C6 C 1.2126(3) 0.5318(2) 0.7434(2) 0.0267(7) Uani 1 2 d . . .
C7 C 1.0997(3) 0.4848(2) 0.6633(2) 0.0285(7) Uani 1 2 d . . .
C8 C 0.9865(3) 0.5422(2) 0.6460(2) 0.0292(7) Uani 1 2 d . . .
C9 C 1.0645(3) 0.3868(2) 0.5855(2) 0.0296(7) Uani 1 2 d . . .
C10 C 0.9338(3) 0.3887(2) 0.5137(2) 0.0287(7) Uani 1 2 d . . .
C11 C 0.8849(3) 0.4834(2) 0.5537(2) 0.0270(7) Uani 1 2 d . . .
C12 C 0.7718(3) 0.5271(2) 0.5222(2) 0.0256(7) Uani 1 2 d . . .
C13 C 0.4304(3) 0.5371(2) 0.3726(2) 0.0300(8) Uani 1 2 d . . .
C14 C 0.5568(3) 0.5575(2) 0.4355(2) 0.0285(7) Uani 1 2 d . . .
C15 C 0.6520(3) 0.4877(2) 0.4441(2) 0.0279(7) Uani 1 2 d . . .
C16 C 0.6228(3) 0.3845(2) 0.3770(2) 0.0278(7) Uani 1 2 d . . .
C17 C 0.5065(3) 0.3389(2) 0.3046(2) 0.0284(7) Uani 1 2 d . . .
C18 C 1.4902(3) 0.2520(2) 0.7334(2) 0.0304(7) Uani 1 2 d . . .
C19 C 1.4146(4) 0.1940(3) 0.6408(3) 0.0419(9) Uani 1 2 d . . .
C20 C 1.4280(4) 0.0931(3) 0.6001(3) 0.0483(10) Uani 1 2 d . . .
C21 C 1.5185(5) 0.0469(3) 0.6488(3) 0.0504(11) Uani 1 2 d . . .
C22 C 1.5941(7) 0.1027(4) 0.7383(4) 0.0884(17) Uani 1 2 d . . .
C23 C 1.5789(6) 0.2043(3) 0.7812(3) 0.0768(14) Uani 1 2 d . . .
C24 C 1.6393(3) 0.6472(2) 1.0037(2) 0.0295(7) Uani 1 2 d . . .
C25 C 1.6402(4) 0.7509(3) 1.0110(3) 0.0411(9) Uani 1 2 d . . .
C26 C 1.7164(5) 0.8298(3) 1.0935(3) 0.0553(11) Uani 1 2 d . . .
C27 C 1.7920(4) 0.8088(3) 1.1695(3) 0.0511(10) Uani 1 2 d . . .
C28 C 1.7933(4) 0.7070(3) 1.1615(2) 0.0411(9) Uani 1 2 d . . .
C29 C 1.7190(3) 0.6271(3) 1.0788(2) 0.0324(8) Uani 1 2 d . . .
C30 C 0.3392(3) 0.6147(3) 0.3704(3) 0.0361(9) Uani 1 2 d . . .
C31 C 0.3600(4) 0.7034(3) 0.4483(4) 0.0483(11) Uani 1 2 d . . .
C32 C 0.2731(5) 0.7758(3) 0.4455(5) 0.0709(16) Uani 1 2 d . . .
C33 C 0.1635(6) 0.7575(5) 0.3644(6) 0.084(2) Uani 1 2 d . . .
C34 C 0.1434(6) 0.6705(5) 0.2886(5) 0.0751(19) Uani 1 2 d . . .
C35 C 0.2283(4) 0.5978(4) 0.2899(3) 0.0503(12) Uani 1 2 d . . .
C36 C 0.4890(3) 0.2336(2) 0.2366(2) 0.0316(8) Uani 1 2 d . . .
C37 C 0.6015(4) 0.1971(3) 0.2153(3) 0.0359(8) Uani 1 2 d . . .
C38 C 0.5856(4) 0.0991(3) 0.1497(3) 0.0454(10) Uani 1 2 d . . .
C39 C 0.4603(4) 0.0360(3) 0.1061(3) 0.0507(10) Uani 1 2 d . . .
C40 C 0.3483(4) 0.0706(3) 0.1267(3) 0.0499(10) Uani 1 2 d . . .
C41 C 0.3618(4) 0.1689(3) 0.1913(3) 0.0386(9) Uani 1 2 d . . .
C42 C 1.0077(5) 0.1089(3) 0.3935(3) 0.0587(12) Uani 1 2 d . . .
C43 C 1.0608(7) 0.1462(5) 0.3355(4) 0.091(2) Uani 1 2 d . . .
C45 C 1.0548(5) 0.7475(4) 0.9219(3) 0.0687(14) Uani 1 2 d . . .
C441 C 0.9862(9) 0.7384(8) 0.9792(7) 0.088(4) Uani 0.666 2 d . . .
C442 C 1.0030(10) 0.6770(8) 0.9632(7) 0.028(2) Uani 0.333 2 d . . .
H1 H 1.30191 0.35719 0.68519 0.0317 Uiso 1 2 calc R . .
H2 H 1.404 0.6394 0.88588 0.0335 Uiso 1 2 calc R . .
H3 H 1.20492 0.59726 0.77961 0.0299 Uiso 1 2 calc R . .
H4 H 0.77658 0.595 0.55994 0.0294 Uiso 1 2 calc R . .
H5 H 0.58593 0.62475 0.47845 0.0352 Uiso 1 2 calc R . .
H6 H 0.69134 0.34509 0.38422 0.0332 Uiso 1 2 calc R . .
H7 H 1.35423 0.22407 0.60642 0.0453 Uiso 1 2 calc R . .
H8 H 1.37572 0.05564 0.53865 0.0493 Uiso 1 2 calc R . .
H9 H 1.52738 -0.02115 0.6208 0.0551 Uiso 1 2 calc R . .
H10 H 1.65614 0.07271 0.77175 0.0869 Uiso 1 2 calc R . .
H11 H 1.63047 0.24074 0.84298 0.0741 Uiso 1 2 calc R . .
H12 H 1.59033 0.76593 0.96065 0.0454 Uiso 1 2 calc R . .
H13 H 1.71687 0.8981 1.09831 0.0558 Uiso 1 2 calc R . .
H14 H 1.84113 0.86225 1.22501 0.0493 Uiso 1 2 calc R . .
H15 H 1.84373 0.69194 1.21178 0.0445 Uiso 1 2 calc R . .
H16 H 1.72314 0.55898 1.07344 0.0370 Uiso 1 2 calc R . .
H17 H 0.43225 0.71445 0.50222 0.0613 Uiso 1 2 calc R . .
H18 H 0.28749 0.83532 0.49723 0.0892 Uiso 1 2 calc R . .
H19 H 0.1044 0.80483 0.36243 0.1144 Uiso 1 2 calc R . .
H20 H 0.07145 0.66 0.23472 0.1060 Uiso 1 2 calc R . .
H21 H 0.21224 0.53822 0.23805 0.0697 Uiso 1 2 calc R . .
H22 H 0.68739 0.2383 0.24531 0.0395 Uiso 1 2 calc R . .
H23 H 0.66061 0.076 0.13508 0.0493 Uiso 1 2 calc R . .
H24 H 0.45096 -0.02996 0.06317 0.0523 Uiso 1 2 calc R . .
H25 H 0.26332 0.02806 0.09713 0.0515 Uiso 1 2 calc R . .
H26 H 0.28565 0.19171 0.20434 0.0419 Uiso 1 2 calc R . .



#==============================================================================
_computing_data_collection       'CrystalClear (Rigaku, ????)'
_computing_cell_refinement       CrystalClear
_computing_data_reduction        CrystalClear
_computing_structure_solution    'SIR2004 (Burla, et al., 2005)'
_computing_structure_refinement  'CRYSTALS (Carruthers, et al., 1999)'
_computing_publication_material  'CrystalStructure 4.3 (Rigaku, 2018)'
_computing_molecular_graphics    'CrystalStructure 4.3'

#==============================================================================
# MOLECULAR GEOMETRY

_geom_special_details            
;
    ENTER SPECIAL DETAILS OF THE MOLECULAR GEOMETRY
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
_geom_bond_site_symmetry_2
Se1 C1 1.883(2) yes .
Se1 C5 1.878(3) yes .
Se2 C13 1.890(3) yes .
Se2 C17 1.877(3) yes .
Cl4 C43 1.828(7) yes .
Cl7 C45 1.726(5) yes .
Cl11 C42 1.758(6) yes .
Cl12 C42 1.758(10) yes .
Cl21 C42 1.846(5) yes .
Cl22 C42 1.580(7) yes .
Cl31 Cl32 1.475(4) yes .
Cl31 Cl82 2.330(4) yes 2_766
Cl31 C43 1.681(6) yes .
Cl32 C43 2.169(7) yes .
Cl51 Cl52 1.128(5) yes .
Cl51 C442 1.687(11) yes .
Cl52 Cl61 2.094(4) yes .
Cl52 C441 1.917(12) yes .
Cl52 C442 1.123(13) yes .
Cl61 Cl62 1.291(6) yes .
Cl61 C441 1.808(11) yes .
Cl61 C442 1.834(10) yes .
Cl62 Cl81 2.194(5) yes .
Cl62 C441 1.630(9) yes .
Cl62 C442 2.203(10) yes .
Cl81 Cl82 1.429(5) yes .
Cl81 C45 1.997(6) yes .
Cl81 C441 1.923(12) yes .
Cl82 C45 1.833(7) yes .
O1 C8 1.234(4) yes .
O2 C9 1.233(4) yes .
O3 C10 1.224(3) yes .
C1 C2 1.368(5) yes .
C1 C18 1.475(4) yes .
C2 C3 1.424(4) yes .
C3 C4 1.429(3) yes .
C3 C6 1.415(4) yes .
C4 C5 1.354(4) yes .
C5 C24 1.478(3) yes .
C6 C7 1.393(4) yes .
C7 C8 1.475(5) yes .
C7 C9 1.455(4) yes .
C8 C11 1.477(4) yes .
C9 C10 1.516(4) yes .
C10 C11 1.460(4) yes .
C11 C12 1.399(4) yes .
C12 C15 1.409(4) yes .
C13 C14 1.350(4) yes .
C13 C30 1.484(5) yes .
C14 C15 1.439(5) yes .
C15 C16 1.435(4) yes .
C16 C17 1.350(4) yes .
C17 C36 1.477(4) yes .
C18 C19 1.399(4) yes .
C18 C23 1.377(7) yes .
C19 C20 1.377(5) yes .
C20 C21 1.379(6) yes .
C21 C22 1.358(6) yes .
C22 C23 1.397(7) yes .
C24 C25 1.412(5) yes .
C24 C29 1.387(5) yes .
C25 C26 1.387(5) yes .
C26 C27 1.392(7) yes .
C27 C28 1.385(6) yes .
C28 C29 1.391(4) yes .
C30 C31 1.395(5) yes .
C30 C35 1.403(6) yes .
C31 C32 1.399(7) yes .
C32 C33 1.400(9) yes .
C33 C34 1.364(9) yes .
C34 C35 1.384(8) yes .
C36 C37 1.399(5) yes .
C36 C41 1.398(4) yes .
C37 C38 1.390(5) yes .
C38 C39 1.373(5) yes .
C39 C40 1.381(7) yes .
C40 C41 1.392(5) yes .
C42 C43 1.453(10) yes .
C45 C441 1.376(14) yes .
C45 C442 1.529(15) yes .
C441 C442 0.853(15) yes .
C2 H1 0.930 no .
C4 H2 0.930 no .
C6 H3 0.930 no .
C12 H4 0.930 no .
C14 H5 0.930 no .
C16 H6 0.930 no .
C19 H7 0.930 no .
C20 H8 0.930 no .
C21 H9 0.930 no .
C22 H10 0.930 no .
C23 H11 0.930 no .
C25 H12 0.930 no .
C26 H13 0.930 no .
C27 H14 0.930 no .
C28 H15 0.930 no .
C29 H16 0.930 no .
C31 H17 0.930 no .
C32 H18 0.930 no .
C33 H19 0.930 no .
C34 H20 0.930 no .
C35 H21 0.930 no .
C37 H22 0.930 no .
C38 H23 0.930 no .
C39 H24 0.930 no .
C40 H25 0.930 no .
C41 H26 0.930 no .

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_publ_flag
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
C1 Se1 C5 99.59(13) yes . .
C13 Se2 C17 99.23(13) yes . .
Cl32 Cl31 Cl82 125.3(2) yes . 2_766
Cl32 Cl31 C43 86.6(3) yes . .
Cl82 Cl31 C43 132.0(3) yes 2_766 .
Cl31 Cl32 C43 50.7(2) yes . .
Cl52 Cl51 C442 41.3(5) yes . .
Cl51 Cl52 Cl61 130.5(3) yes . .
Cl51 Cl52 C441 109.3(5) yes . .
Cl51 Cl52 C442 97.1(8) yes . .
Cl61 Cl52 C441 53.3(3) yes . .
Cl61 Cl52 C442 61.0(5) yes . .
C441 Cl52 C442 12.2(7) yes . .
Cl52 Cl61 Cl62 117.9(2) yes . .
Cl52 Cl61 C441 58.3(4) yes . .
Cl52 Cl61 C442 32.4(4) yes . .
Cl62 Cl61 C441 60.8(4) yes . .
Cl62 Cl61 C442 87.9(4) yes . .
C441 Cl61 C442 27.1(5) yes . .
Cl61 Cl62 Cl81 130.3(3) yes . .
Cl61 Cl62 C441 75.5(5) yes . .
Cl61 Cl62 C442 56.3(4) yes . .
Cl81 Cl62 C441 58.2(5) yes . .
Cl81 Cl62 C442 76.5(4) yes . .
C441 Cl62 C442 19.2(5) yes . .
Cl62 Cl81 Cl82 130.3(2) yes . .
Cl62 Cl81 C45 76.6(2) yes . .
Cl62 Cl81 C441 46.1(3) yes . .
Cl82 Cl81 C45 62.1(2) yes . .
Cl82 Cl81 C441 102.9(4) yes . .
C45 Cl81 C441 41.0(4) yes . .
Cl31 Cl82 Cl81 139.1(2) yes 2_766 .
Cl31 Cl82 C45 135.1(2) yes 2_766 .
Cl81 Cl82 C45 74.3(2) yes . .
Se1 C1 C2 121.8(2) yes . .
Se1 C1 C18 115.5(2) yes . .
C2 C1 C18 122.6(2) yes . .
C1 C2 C3 127.3(2) yes . .
C2 C3 C4 121.4(3) yes . .
C2 C3 C6 123.2(2) yes . .
C4 C3 C6 115.4(3) yes . .
C3 C4 C5 127.5(3) yes . .
Se1 C5 C4 122.28(19) yes . .
Se1 C5 C24 115.1(2) yes . .
C4 C5 C24 122.6(3) yes . .
C3 C6 C7 133.3(3) yes . .
C6 C7 C8 118.2(3) yes . .
C6 C7 C9 134.3(3) yes . .
C8 C7 C9 107.6(2) yes . .
O1 C8 C7 125.4(2) yes . .
O1 C8 C11 125.4(3) yes . .
C7 C8 C11 109.2(2) yes . .
O2 C9 C7 130.9(3) yes . .
O2 C9 C10 121.2(2) yes . .
C7 C9 C10 107.8(3) yes . .
O3 C10 C9 121.2(3) yes . .
O3 C10 C11 131.2(3) yes . .
C9 C10 C11 107.6(2) yes . .
C8 C11 C10 107.5(3) yes . .
C8 C11 C12 118.2(3) yes . .
C10 C11 C12 134.2(2) yes . .
C11 C12 C15 132.2(3) yes . .
Se2 C13 C14 121.7(3) yes . .
Se2 C13 C30 114.6(2) yes . .
C14 C13 C30 123.7(3) yes . .
C13 C14 C15 127.9(3) yes . .
C12 C15 C14 115.7(2) yes . .
C12 C15 C16 123.4(3) yes . .
C14 C15 C16 120.9(2) yes . .
C15 C16 C17 126.8(3) yes . .
Se2 C17 C16 123.1(2) yes . .
Se2 C17 C36 114.3(2) yes . .
C16 C17 C36 122.6(3) yes . .
C1 C18 C19 121.1(3) yes . .
C1 C18 C23 121.7(3) yes . .
C19 C18 C23 117.2(3) yes . .
C18 C19 C20 121.0(4) yes . .
C19 C20 C21 121.0(3) yes . .
C20 C21 C22 118.8(4) yes . .
C21 C22 C23 120.8(5) yes . .
C18 C23 C22 121.2(4) yes . .
C5 C24 C25 119.4(3) yes . .
C5 C24 C29 121.8(3) yes . .
C25 C24 C29 118.8(3) yes . .
C24 C25 C26 119.6(4) yes . .
C25 C26 C27 121.2(4) yes . .
C26 C27 C28 119.1(3) yes . .
C27 C28 C29 120.3(4) yes . .
C24 C29 C28 121.0(3) yes . .
C13 C30 C31 120.8(3) yes . .
C13 C30 C35 119.9(3) yes . .
C31 C30 C35 119.3(4) yes . .
C30 C31 C32 120.3(4) yes . .
C31 C32 C33 119.4(5) yes . .
C32 C33 C34 120.0(6) yes . .
C33 C34 C35 121.5(6) yes . .
C30 C35 C34 119.5(4) yes . .
C17 C36 C37 119.8(3) yes . .
C17 C36 C41 121.7(3) yes . .
C37 C36 C41 118.5(3) yes . .
C36 C37 C38 120.3(3) yes . .
C37 C38 C39 120.7(4) yes . .
C38 C39 C40 119.8(3) yes . .
C39 C40 C41 120.3(3) yes . .
C36 C41 C40 120.4(4) yes . .
Cl11 C42 Cl12 13.3(3) yes . .
Cl11 C42 Cl21 108.8(3) yes . .
Cl11 C42 Cl22 114.7(4) yes . .
Cl11 C42 C43 104.6(4) yes . .
Cl12 C42 Cl21 106.6(3) yes . .
Cl12 C42 Cl22 105.9(4) yes . .
Cl12 C42 C43 117.5(5) yes . .
Cl21 C42 Cl22 30.3(2) yes . .
Cl21 C42 C43 105.4(4) yes . .
Cl22 C42 C43 127.4(5) yes . .
Cl4 C43 Cl31 116.8(5) yes . .
Cl4 C43 Cl32 91.1(3) yes . .
Cl4 C43 C42 110.1(4) yes . .
Cl31 C43 Cl32 42.76(18) yes . .
Cl31 C43 C42 117.7(4) yes . .
Cl32 C43 C42 101.0(4) yes . .
Cl7 C45 Cl81 111.9(3) yes . .
Cl7 C45 Cl82 94.0(3) yes . .
Cl7 C45 C441 120.8(5) yes . .
Cl7 C45 C442 111.1(5) yes . .
Cl81 C45 Cl82 43.56(19) yes . .
Cl81 C45 C441 66.6(5) yes . .
Cl81 C45 C442 100.1(5) yes . .
Cl82 C45 C441 109.8(6) yes . .
Cl82 C45 C442 142.8(6) yes . .
C441 C45 C442 33.6(6) yes . .
Cl52 C441 Cl61 68.3(5) yes . .
Cl52 C441 Cl62 111.1(7) yes . .
Cl52 C441 Cl81 171.2(7) yes . .
Cl52 C441 C45 99.0(7) yes . .
Cl52 C441 C442 16.1(10) yes . .
Cl61 C441 Cl62 43.7(3) yes . .
Cl61 C441 Cl81 117.2(5) yes . .
Cl61 C441 C45 118.6(6) yes . .
Cl61 C441 C442 78.2(11) yes . .
Cl62 C441 Cl81 75.8(4) yes . .
Cl62 C441 C45 119.7(7) yes . .
Cl62 C441 C442 121.9(12) yes . .
Cl81 C441 C45 72.4(6) yes . .
Cl81 C441 C442 155.1(15) yes . .
C45 C441 C442 83.1(13) yes . .
Cl51 C442 Cl52 41.5(4) yes . .
Cl51 C442 Cl61 114.0(6) yes . .
Cl51 C442 Cl62 148.7(6) yes . .
Cl51 C442 C45 103.7(7) yes . .
Cl51 C442 C441 166.7(16) yes . .
Cl52 C442 Cl61 86.7(7) yes . .
Cl52 C442 Cl62 119.9(9) yes . .
Cl52 C442 C45 144.6(10) yes . .
Cl52 C442 C441 151.7(17) yes . .
Cl61 C442 Cl62 35.8(2) yes . .
Cl61 C442 C45 109.1(5) yes . .
Cl61 C442 C441 74.7(9) yes . .
Cl62 C442 C45 86.4(5) yes . .
Cl62 C442 C441 38.9(8) yes . .
C45 C442 C441 63.3(12) yes . .
C1 C2 H1 116.351 no . .
C3 C2 H1 116.321 no . .
C3 C4 H2 116.169 no . .
C5 C4 H2 116.297 no . .
C3 C6 H3 113.385 no . .
C7 C6 H3 113.306 no . .
C11 C12 H4 113.850 no . .
C15 C12 H4 113.968 no . .
C13 C14 H5 116.084 no . .
C15 C14 H5 115.999 no . .
C15 C16 H6 116.508 no . .
C17 C16 H6 116.739 no . .
C18 C19 H7 119.384 no . .
C20 C19 H7 119.643 no . .
C19 C20 H8 119.492 no . .
C21 C20 H8 119.515 no . .
C20 C21 H9 120.618 no . .
C22 C21 H9 120.627 no . .
C21 C22 H10 119.576 no . .
C23 C22 H10 119.576 no . .
C18 C23 H11 119.295 no . .
C22 C23 H11 119.500 no . .
C24 C25 H12 120.049 no . .
C26 C25 H12 120.386 no . .
C25 C26 H13 119.547 no . .
C27 C26 H13 119.271 no . .
C26 C27 H14 120.604 no . .
C28 C27 H14 120.276 no . .
C27 C28 H15 119.932 no . .
C29 C28 H15 119.788 no . .
C24 C29 H16 119.383 no . .
C28 C29 H16 119.608 no . .
C30 C31 H17 119.838 no . .
C32 C31 H17 119.872 no . .
C31 C32 H18 120.365 no . .
C33 C32 H18 120.269 no . .
C32 C33 H19 119.828 no . .
C34 C33 H19 120.175 no . .
C33 C34 H20 119.160 no . .
C35 C34 H20 119.308 no . .
C30 C35 H21 119.995 no . .
C34 C35 H21 120.530 no . .
C36 C37 H22 119.983 no . .
C38 C37 H22 119.764 no . .
C37 C38 H23 119.634 no . .
C39 C38 H23 119.633 no . .
C38 C39 H24 120.135 no . .
C40 C39 H24 120.078 no . .
C39 C40 H25 119.928 no . .
C41 C40 H25 119.731 no . .
C36 C41 H26 119.938 no . .
C40 C41 H26 119.672 no . .

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_publ_flag
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
C1 Se1 C5 C4 0.4(3) no . . . .
C1 Se1 C5 C24 179.9(2) no . . . .
C5 Se1 C1 C2 1.5(3) no . . . .
C5 Se1 C1 C18 -178.0(2) no . . . .
C13 Se2 C17 C16 5.0(3) no . . . .
C13 Se2 C17 C36 -173.4(3) no . . . .
C17 Se2 C13 C14 -4.1(3) no . . . .
C17 Se2 C13 C30 176.3(3) no . . . .
Cl32 Cl31 Cl82 Cl81 -17.8(3) no . . 2_766 2_766
Cl32 Cl31 Cl82 C45 -142.8(3) no . . 2_766 2_766
Cl82 Cl31 Cl32 C43 141.2(2) no 2_766 . . .
Cl32 Cl31 C43 Cl4 59.0(4) no . . . .
Cl32 Cl31 C43 Cl32 0.00(14) no . . . .
Cl32 Cl31 C43 C42 -75.5(5) no . . . .
C43 Cl31 Cl32 C43 0.0(3) no . . . .
Cl82 Cl31 C43 Cl4 -77.5(5) no 2_766 . . .
Cl82 Cl31 C43 Cl32 -136.5(3) no 2_766 . . .
Cl82 Cl31 C43 C42 148.0(3) no 2_766 . . .
C43 Cl31 Cl82 Cl81 104.9(4) no . . 2_766 2_766
C43 Cl31 Cl82 C45 -20.2(5) no . . 2_766 2_766
Cl31 Cl32 C43 Cl4 -130.1(4) no . . . .
Cl31 Cl32 C43 Cl31 0.00(11) no . . . .
Cl31 Cl32 C43 C42 119.2(4) no . . . .
Cl52 Cl51 C442 Cl52 -0.0(3) no . . . .
Cl52 Cl51 C442 Cl61 53.3(6) no . . . .
Cl52 Cl51 C442 Cl62 65.7(14) no . . . .
Cl52 Cl51 C442 C45 171.8(8) no . . . .
C442 Cl51 Cl52 Cl61 -57.6(6) no . . . .
C442 Cl51 Cl52 C441 0.2(5) no . . . .
C442 Cl51 Cl52 C442 0.0(5) no . . . .
Cl51 Cl52 Cl61 Cl62 97.4(5) no . . . .
Cl51 Cl52 Cl61 C441 84.6(5) no . . . .
Cl51 Cl52 Cl61 C442 73.3(5) no . . . .
Cl51 Cl52 C441 Cl61 -126.7(4) no . . . .
Cl51 Cl52 C441 Cl62 -136.3(5) no . . . .
Cl51 Cl52 C441 C45 -9.4(5) no . . . .
Cl51 Cl52 C442 Cl51 -0.00(8) no . . . .
Cl51 Cl52 C442 Cl61 -132.8(4) no . . . .
Cl51 Cl52 C442 Cl62 -146.9(6) no . . . .
Cl51 Cl52 C442 C45 -13.8(13) no . . . .
Cl51 Cl52 C442 C441 179(2) no . . . .
Cl61 Cl52 C441 Cl61 -0.00(10) no . . . .
Cl61 Cl52 C441 Cl62 -9.6(3) no . . . .
Cl61 Cl52 C441 C45 117.2(5) no . . . .
C441 Cl52 Cl61 Cl62 12.8(5) no . . . .
C441 Cl52 Cl61 C441 -0.0(4) no . . . .
C441 Cl52 Cl61 C442 -11.3(4) no . . . .
Cl61 Cl52 C442 Cl51 132.8(4) no . . . .
Cl61 Cl52 C442 Cl61 0.00(9) no . . . .
Cl61 Cl52 C442 Cl62 -14.1(4) no . . . .
Cl61 Cl52 C442 C45 118.9(14) no . . . .
Cl61 Cl52 C442 C441 -48.3(19) no . . . .
C442 Cl52 Cl61 Cl62 24.2(7) no . . . .
C442 Cl52 Cl61 C441 11.3(7) no . . . .
C442 Cl52 Cl61 C442 0.0(7) no . . . .
Cl52 Cl61 Cl62 Cl81 -33.5(5) no . . . .
Cl52 Cl61 Cl62 C441 -12.5(3) no . . . .
Cl52 Cl61 Cl62 C442 -12.7(2) no . . . .
Cl52 Cl61 C441 Cl52 -0.00(16) no . . . .
Cl52 Cl61 C441 Cl62 167.0(5) no . . . .
Cl52 Cl61 C441 Cl81 -172.4(8) no . . . .
Cl52 Cl61 C441 C45 -88.6(7) no . . . .
Cl52 Cl61 C441 C442 -13.3(5) no . . . .
Cl52 Cl61 C442 Cl51 -32.2(4) no . . . .
Cl52 Cl61 C442 Cl52 0.0(2) no . . . .
Cl52 Cl61 C442 Cl62 158.8(6) no . . . .
Cl52 Cl61 C442 C45 -147.5(11) no . . . .
Cl52 Cl61 C442 C441 158.5(13) no . . . .
Cl62 Cl61 C441 Cl52 -167.0(5) no . . . .
Cl62 Cl61 C441 Cl62 -0.0(2) no . . . .
Cl62 Cl61 C441 Cl81 20.6(5) no . . . .
Cl62 Cl61 C441 C45 104.4(8) no . . . .
Cl62 Cl61 C441 C442 179.7(9) no . . . .
C441 Cl61 Cl62 Cl81 -21.0(5) no . . . .
C441 Cl61 Cl62 C441 -0.0(4) no . . . .
C441 Cl61 Cl62 C442 -0.2(4) no . . . .
Cl62 Cl61 C442 Cl51 169.0(7) no . . . .
Cl62 Cl61 C442 Cl52 -158.8(6) no . . . .
Cl62 Cl61 C442 Cl62 0.0(2) no . . . .
Cl62 Cl61 C442 C45 53.7(6) no . . . .
Cl62 Cl61 C442 C441 -0.3(8) no . . . .
C442 Cl61 Cl62 Cl81 -20.9(5) no . . . .
C442 Cl61 Cl62 C441 0.2(4) no . . . .
C442 Cl61 Cl62 C442 0.0(4) no . . . .
C441 Cl61 C442 Cl51 169.3(16) no . . . .
C441 Cl61 C442 Cl52 -158.5(15) no . . . .
C441 Cl61 C442 Cl62 0.3(11) no . . . .
C441 Cl61 C442 C45 54.0(10) no . . . .
C441 Cl61 C442 C441 -0.0(8) no . . . .
C442 Cl61 C441 Cl52 13.3(10) no . . . .
C442 Cl61 C441 Cl62 -179.7(12) no . . . .
C442 Cl61 C441 Cl81 -159.1(15) no . . . .
C442 Cl61 C441 C45 -75.3(12) no . . . .
C442 Cl61 C441 C442 -0.0(8) no . . . .
Cl61 Cl62 Cl81 Cl82 -41.6(4) no . . . .
Cl61 Cl62 Cl81 C45 -7.9(3) no . . . .
Cl61 Cl62 Cl81 C441 24.1(3) no . . . .
Cl61 Cl62 C441 Cl52 12.9(5) no . . . .
Cl61 Cl62 C441 Cl61 -0.00(14) no . . . .
Cl61 Cl62 C441 Cl81 -161.2(4) no . . . .
Cl61 Cl62 C441 C45 -101.5(8) no . . . .
Cl61 Cl62 C441 C442 -0.4(11) no . . . .
Cl61 Cl62 C442 Cl51 -19.6(13) no . . . .
Cl61 Cl62 C442 Cl52 24.6(7) no . . . .
Cl61 Cl62 C442 Cl61 0.00(17) no . . . .
Cl61 Cl62 C442 C45 -130.3(6) no . . . .
Cl61 Cl62 C442 C441 179.5(12) no . . . .
Cl81 Cl62 C441 Cl52 174.2(7) no . . . .
Cl81 Cl62 C441 Cl61 161.2(4) no . . . .
Cl81 Cl62 C441 Cl81 0.00(6) no . . . .
Cl81 Cl62 C441 C45 59.7(7) no . . . .
Cl81 Cl62 C441 C442 160.8(13) no . . . .
C441 Cl62 Cl81 Cl82 -65.8(5) no . . . .
C441 Cl62 Cl81 C45 -32.1(4) no . . . .
C441 Cl62 Cl81 C441 -0.0(4) no . . . .
Cl81 Cl62 C442 Cl51 144.2(15) no . . . .
Cl81 Cl62 C442 Cl52 -171.6(9) no . . . .
Cl81 Cl62 C442 Cl61 163.8(4) no . . . .
Cl81 Cl62 C442 C45 33.5(3) no . . . .
Cl81 Cl62 C442 C441 -16.7(8) no . . . .
C442 Cl62 Cl81 Cl82 -59.4(3) no . . . .
C442 Cl62 Cl81 C45 -25.7(3) no . . . .
C442 Cl62 Cl81 C441 6.4(3) no . . . .
Cl62 Cl81 Cl82 Cl31 -179.28(18) no . . . 2_766
Cl62 Cl81 Cl82 C45 37.6(2) no . . . .
Cl62 Cl81 C45 Cl7 -79.7(3) no . . . .
Cl62 Cl81 C45 Cl82 -151.38(16) no . . . .
Cl62 Cl81 C45 C441 35.61(15) no . . . .
Cl62 Cl81 C45 C442 38.07(19) no . . . .
Cl62 Cl81 C441 Cl61 -14.5(3) no . . . .
Cl62 Cl81 C441 Cl62 0.00(15) no . . . .
Cl62 Cl81 C441 C45 -128.1(5) no . . . .
Cl62 Cl81 C441 C442 -139(2) no . . . .
Cl82 Cl81 C45 Cl7 71.7(3) no . . . .
Cl82 Cl81 C45 Cl82 -0.00(13) no . . . .
Cl82 Cl81 C45 C441 -173.0(2) no . . . .
Cl82 Cl81 C45 C442 -170.6(3) no . . . .
C45 Cl81 Cl82 Cl31 143.1(3) no . . . 2_766
C45 Cl81 Cl82 C45 0.00(13) no . . . .
Cl82 Cl81 C441 Cl61 120.0(6) no . . . .
Cl82 Cl81 C441 Cl62 134.5(3) no . . . .
Cl82 Cl81 C441 C45 6.3(3) no . . . .
Cl82 Cl81 C441 C442 -4.0(19) no . . . .
C441 Cl81 Cl82 Cl31 138.4(3) no . . . 2_766
C441 Cl81 Cl82 C45 -4.7(3) no . . . .
C45 Cl81 C441 Cl61 113.6(7) no . . . .
C45 Cl81 C441 Cl62 128.1(5) no . . . .
C45 Cl81 C441 C45 -0.00(17) no . . . .
C45 Cl81 C441 C442 -10.4(15) no . . . .
C441 Cl81 C45 Cl7 -115.3(5) no . . . .
C441 Cl81 C45 Cl82 173.0(4) no . . . .
C441 Cl81 C45 C441 -0.0(4) no . . . .
C441 Cl81 C45 C442 2.5(4) no . . . .
Cl31 Cl82 C45 Cl7 95.8(3) no 2_766 . . .
Cl31 Cl82 C45 Cl81 -146.2(4) no 2_766 . . .
Cl31 Cl82 C45 C441 -139.4(3) no 2_766 . . .
Cl31 Cl82 C45 C442 -130.7(4) no 2_766 . . .
Cl81 Cl82 C45 Cl7 -118.0(2) no . . . .
Cl81 Cl82 C45 Cl81 0.00(6) no . . . .
Cl81 Cl82 C45 C441 6.8(2) no . . . .
Cl81 Cl82 C45 C442 15.5(4) no . . . .
Se1 C1 C2 C3 -3.8(6) no . . . .
Se1 C1 C18 C19 -161.9(2) no . . . .
Se1 C1 C18 C23 17.9(5) no . . . .
C2 C1 C18 C19 18.6(6) no . . . .
C2 C1 C18 C23 -161.6(3) no . . . .
C18 C1 C2 C3 175.7(3) no . . . .
C1 C2 C3 C4 3.9(6) no . . . .
C1 C2 C3 C6 -173.6(3) no . . . .
C2 C3 C4 C5 -1.5(6) no . . . .
C2 C3 C6 C7 -5.0(7) no . . . .
C4 C3 C6 C7 177.4(4) no . . . .
C6 C3 C4 C5 176.2(3) no . . . .
C3 C4 C5 Se1 -0.5(6) no . . . .
C3 C4 C5 C24 -179.9(3) no . . . .
Se1 C5 C24 C25 148.6(2) no . . . .
Se1 C5 C24 C29 -33.2(5) no . . . .
C4 C5 C24 C25 -31.9(6) no . . . .
C4 C5 C24 C29 146.3(4) no . . . .
C3 C6 C7 C8 179.9(4) no . . . .
C3 C6 C7 C9 -2.0(8) no . . . .
C6 C7 C8 O1 -5.3(6) no . . . .
C6 C7 C8 C11 174.2(3) no . . . .
C6 C7 C9 O2 6.2(8) no . . . .
C6 C7 C9 C10 -172.0(4) no . . . .
C8 C7 C9 O2 -175.6(4) no . . . .
C8 C7 C9 C10 6.2(4) no . . . .
C9 C7 C8 O1 176.2(4) no . . . .
C9 C7 C8 C11 -4.3(4) no . . . .
O1 C8 C11 C10 -179.9(4) no . . . .
O1 C8 C11 C12 2.3(6) no . . . .
C7 C8 C11 C10 0.6(4) no . . . .
C7 C8 C11 C12 -177.2(3) no . . . .
O2 C9 C10 O3 -6.6(6) no . . . .
O2 C9 C10 C11 175.7(3) no . . . .
C7 C9 C10 O3 171.8(3) no . . . .
C7 C9 C10 C11 -5.9(4) no . . . .
O3 C10 C11 C8 -174.1(4) no . . . .
O3 C10 C11 C12 3.2(8) no . . . .
C9 C10 C11 C8 3.2(4) no . . . .
C9 C10 C11 C12 -179.5(4) no . . . .
C8 C11 C12 C15 -172.1(3) no . . . .
C10 C11 C12 C15 10.8(8) no . . . .
C11 C12 C15 C14 179.6(4) no . . . .
C11 C12 C15 C16 0.7(7) no . . . .
Se2 C13 C14 C15 -0.3(6) no . . . .
Se2 C13 C30 C31 159.6(3) no . . . .
Se2 C13 C30 C35 -18.7(5) no . . . .
C14 C13 C30 C31 -19.9(7) no . . . .
C14 C13 C30 C35 161.8(4) no . . . .
C30 C13 C14 C15 179.3(4) no . . . .
C13 C14 C15 C12 -173.7(4) no . . . .
C13 C14 C15 C16 5.2(7) no . . . .
C12 C15 C16 C17 174.6(4) no . . . .
C14 C15 C16 C17 -4.2(6) no . . . .
C15 C16 C17 Se2 -1.5(6) no . . . .
C15 C16 C17 C36 176.8(3) no . . . .
Se2 C17 C36 C37 146.6(3) no . . . .
Se2 C17 C36 C41 -32.7(5) no . . . .
C16 C17 C36 C37 -31.8(6) no . . . .
C16 C17 C36 C41 148.9(4) no . . . .
C1 C18 C19 C20 -179.5(3) no . . . .
C1 C18 C23 C22 -178.8(4) no . . . .
C19 C18 C23 C22 1.1(8) no . . . .
C23 C18 C19 C20 0.6(7) no . . . .
C18 C19 C20 C21 -1.4(7) no . . . .
C19 C20 C21 C22 0.4(8) no . . . .
C20 C21 C22 C23 1.3(9) no . . . .
C21 C22 C23 C18 -2.1(11) no . . . .
C5 C24 C25 C26 176.0(3) no . . . .
C5 C24 C29 C28 -174.9(3) no . . . .
C25 C24 C29 C28 3.3(6) no . . . .
C29 C24 C25 C26 -2.3(6) no . . . .
C24 C25 C26 C27 -0.1(7) no . . . .
C25 C26 C27 C28 1.5(7) no . . . .
C26 C27 C28 C29 -0.5(7) no . . . .
C27 C28 C29 C24 -2.0(6) no . . . .
C13 C30 C31 C32 -179.7(4) no . . . .
C13 C30 C35 C34 179.7(4) no . . . .
C31 C30 C35 C34 1.4(8) no . . . .
C35 C30 C31 C32 -1.5(7) no . . . .
C30 C31 C32 C33 1.2(9) no . . . .
C31 C32 C33 C34 -1.0(11) no . . . .
C32 C33 C34 C35 1.0(12) no . . . .
C33 C34 C35 C30 -1.2(11) no . . . .
C17 C36 C37 C38 -178.4(3) no . . . .
C17 C36 C41 C40 179.2(3) no . . . .
C37 C36 C41 C40 -0.1(6) no . . . .
C41 C36 C37 C38 0.8(6) no . . . .
C36 C37 C38 C39 -1.2(7) no . . . .
C37 C38 C39 C40 0.8(7) no . . . .
C38 C39 C40 C41 -0.1(8) no . . . .
C39 C40 C41 C36 -0.3(7) no . . . .
Cl11 C42 C43 Cl4 -178.7(3) no . . . .
Cl11 C42 C43 Cl31 -41.4(6) no . . . .
Cl11 C42 C43 Cl32 -83.4(4) no . . . .
Cl12 C42 C43 Cl4 177.6(4) no . . . .
Cl12 C42 C43 Cl31 -45.2(7) no . . . .
Cl12 C42 C43 Cl32 -87.2(5) no . . . .
Cl21 C42 C43 Cl4 -64.0(4) no . . . .
Cl21 C42 C43 Cl31 73.3(5) no . . . .
Cl21 C42 C43 Cl32 31.2(3) no . . . .
Cl22 C42 C43 Cl4 -40.6(6) no . . . .
Cl22 C42 C43 Cl31 96.7(5) no . . . .
Cl22 C42 C43 Cl32 54.7(5) no . . . .
Cl7 C45 C441 Cl52 -79.7(5) no . . . .
Cl7 C45 C441 Cl61 -9.5(10) no . . . .
Cl7 C45 C441 Cl62 41.0(11) no . . . .
Cl7 C45 C441 Cl81 102.4(5) no . . . .
Cl7 C45 C441 C442 -82.0(7) no . . . .
Cl7 C45 C442 Cl51 -68.4(5) no . . . .
Cl7 C45 C442 Cl52 -59.0(13) no . . . .
Cl7 C45 C442 Cl61 53.4(7) no . . . .
Cl7 C45 C442 Cl62 81.6(4) no . . . .
Cl7 C45 C442 C441 114.3(6) no . . . .
Cl81 C45 C441 Cl52 177.9(4) no . . . .
Cl81 C45 C441 Cl61 -111.9(7) no . . . .
Cl81 C45 C441 Cl62 -61.4(7) no . . . .
Cl81 C45 C441 Cl81 0.00(5) no . . . .
Cl81 C45 C441 C442 175.6(7) no . . . .
Cl81 C45 C442 Cl51 173.2(4) no . . . .
Cl81 C45 C442 Cl52 -177.4(12) no . . . .
Cl81 C45 C442 Cl61 -65.0(6) no . . . .
Cl81 C45 C442 Cl62 -36.8(3) no . . . .
Cl81 C45 C442 C441 -4.1(6) no . . . .
Cl82 C45 C441 Cl52 172.8(3) no . . . .
Cl82 C45 C441 Cl61 -117.0(6) no . . . .
Cl82 C45 C441 Cl62 -66.5(8) no . . . .
Cl82 C45 C441 Cl81 -5.1(3) no . . . .
Cl82 C45 C441 C442 170.5(5) no . . . .
Cl82 C45 C442 Cl51 162.4(4) no . . . .
Cl82 C45 C442 Cl52 171.8(8) no . . . .
Cl82 C45 C442 Cl61 -75.8(9) no . . . .
Cl82 C45 C442 Cl62 -47.5(7) no . . . .
Cl82 C45 C442 C441 -14.9(10) no . . . .
C441 C45 C442 Cl51 177.3(11) no . . . .
C441 C45 C442 Cl52 -173.3(18) no . . . .
C441 C45 C442 Cl61 -60.9(8) no . . . .
C441 C45 C442 Cl62 -32.7(7) no . . . .
C441 C45 C442 C441 -0.0(6) no . . . .
C442 C45 C441 Cl52 2.3(6) no . . . .
C442 C45 C441 Cl61 72.5(10) no . . . .
C442 C45 C441 Cl62 123.0(13) no . . . .
C442 C45 C441 Cl81 -175.6(9) no . . . .
C442 C45 C441 C442 -0.0(6) no . . . .
Cl61 C441 C442 Cl52 51(2) no . . . .
Cl61 C441 C442 Cl61 0.00(10) no . . . .
Cl61 C441 C442 Cl62 -0.3(10) no . . . .
Cl61 C441 C442 C45 -121.1(4) no . . . .
Cl62 C441 C442 Cl52 51(3) no . . . .
Cl62 C441 C442 Cl61 0.3(10) no . . . .
Cl62 C441 C442 Cl62 0.00(19) no . . . .
Cl62 C441 C442 C45 -120.9(12) no . . . .
Cl81 C441 C442 Cl52 -178.3(11) no . . . .
Cl81 C441 C442 Cl61 131(2) no . . . .
Cl81 C441 C442 Cl62 131(3) no . . . .
Cl81 C441 C442 C45 10(2) no . . . .
C45 C441 C442 Cl52 172(2) no . . . .
C45 C441 C442 Cl61 121.1(5) no . . . .
C45 C441 C442 Cl62 120.9(12) no . . . .
C45 C441 C442 C45 0.00(17) no . . . .

loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_publ_flag
_geom_contact_site_symmetry_1
_geom_contact_site_symmetry_2
Se1 C3 3.259(3) no . .
Se1 C23 3.087(4) no . .
Se1 C29 3.157(3) no . .
Se2 C15 3.263(3) no . .
Se2 C35 3.049(5) no . .
Se2 C41 3.133(4) no . .
Cl4 Cl21 3.169(3) no . .
Cl4 Cl22 3.241(5) no . .
Cl7 Cl51 3.137(2) no . .
Cl7 Cl52 3.367(5) no . .
Cl7 Cl61 3.136(4) no . .
Cl7 Cl62 3.232(5) no . .
Cl11 Cl31 2.913(6) no . .
Cl11 Cl32 3.455(6) no . .
Cl12 Cl31 3.263(9) no . .
Cl21 Cl31 3.357(4) no . .
Cl21 Cl32 2.601(5) no . .
Cl22 Cl32 3.317(6) no . .
O1 C6 2.857(4) no . .
O1 C9 3.554(4) no . .
O1 C10 3.560(3) no . .
O1 C12 2.863(3) no . .
O2 O3 2.792(3) no . .
O2 C2 2.954(3) no . .
O2 C3 3.506(3) no . .
O2 C6 3.238(3) no . .
O2 C8 3.577(4) no . .
O2 C11 3.566(4) no . .
O2 C19 3.599(5) no . .
O3 C7 3.552(3) no . .
O3 C8 3.572(3) no . .
O3 C12 3.244(4) no . .
O3 C15 3.503(4) no . .
O3 C16 2.958(4) no . .
C1 C4 3.001(4) no . .
C2 C5 2.998(3) no . .
C2 C7 3.156(5) no . .
C2 C9 3.345(4) no . .
C2 C19 2.960(5) no . .
C3 C9 3.379(4) no . .
C4 C25 2.974(4) no . .
C10 C15 3.369(5) no . .
C10 C16 3.325(4) no . .
C11 C16 3.142(4) no . .
C13 C16 3.012(5) no . .
C14 C17 2.987(4) no . .
C14 C31 2.975(5) no . .
C16 C37 2.970(4) no . .
C18 C21 2.807(5) no . .
C19 C22 2.741(8) no . .
C20 C23 2.738(6) no . .
C24 C27 2.804(4) no . .
C25 C28 2.784(6) no . .
C26 C29 2.764(6) no . .
C30 C33 2.789(7) no . .
C31 C34 2.768(8) no . .
C32 C35 2.788(7) no . .
C36 C39 2.796(5) no . .
C37 C40 2.769(5) no . .
C38 C41 2.766(6) no . .
Cl4 O2 3.580(3) no . .
Cl11 O3 3.239(4) no . .
Cl11 C37 3.535(6) no . .
Cl11 C38 3.461(6) no . .
Cl12 O3 3.221(7) no . .
Cl21 Cl22 3.567(6) no . 2_756
Cl21 C33 3.345(7) no . 1_645
Cl22 Cl21 3.567(6) no . 2_756
Cl22 Cl22 3.011(7) no . 2_756
Cl22 O2 3.590(4) no . .
Cl32 Cl62 2.822(4) no . 1_544
Cl32 C27 3.577(5) no . 1_444
Cl51 Cl52 3.543(6) no . 2_767
Cl51 C35 3.583(4) no . 2_666
Cl52 Cl51 3.543(6) no . 2_767
Cl52 Cl52 3.261(7) no . 2_767
Cl61 C23 3.412(6) no . 2_867
Cl61 C34 3.546(9) no . 1_656
Cl62 Cl32 2.822(4) no . 1_566
Cl62 C26 3.424(7) no . 1_455
Cl62 C27 3.278(7) no . 1_455
Cl81 Cl81 3.326(2) no . 2_777
Cl81 Cl82 3.518(3) no . 2_777
Cl81 C40 3.561(4) no . 2_666
Cl82 Cl81 3.518(3) no . 2_777
O1 O3 3.219(4) no . 2_766
O1 C43 3.440(8) no . 2_766
O1 C45 3.268(5) no . .
O2 Cl4 3.580(3) no . .
O2 Cl22 3.590(4) no . .
O2 C12 3.424(5) no . 2_766
O2 C42 3.152(4) no . .
O3 Cl11 3.239(4) no . .
O3 Cl12 3.221(7) no . .
O3 O1 3.219(4) no . 2_766
O3 C8 3.127(5) no . 2_766
O3 C11 3.450(4) no . 2_766
O3 C32 3.450(9) no . 2_666
O3 C42 3.203(5) no . .
O3 C43 3.379(8) no . .
C1 C13 3.578(6) no . 2_766
C1 C28 3.436(6) no . 2_867
C1 C29 3.515(5) no . 2_867
C2 C13 3.491(6) no . 2_766
C2 C14 3.464(6) no . 2_766
C2 C28 3.229(6) no . 2_867
C2 C29 3.443(6) no . 2_867
C3 C16 3.594(6) no . 2_766
C3 C17 3.588(6) no . 2_766
C3 C29 3.496(6) no . 2_867
C4 C17 3.591(6) no . 2_766
C6 C16 3.410(6) no . 2_766
C8 O3 3.127(5) no . 2_766
C8 C10 3.379(6) no . 2_766
C8 C35 3.510(7) no . 2_666
C9 C11 3.492(6) no . 2_766
C9 C12 3.246(6) no . 2_766
C9 C33 3.495(9) no . 2_666
C10 C8 3.379(6) no . 2_766
C10 C10 3.558(5) no . 2_766
C10 C11 3.202(5) no . 2_766
C10 C12 3.519(5) no . 2_766
C10 C31 3.571(6) no . 2_666
C10 C32 3.434(8) no . 2_666
C11 O3 3.450(4) no . 2_766
C11 C9 3.492(6) no . 2_766
C11 C10 3.202(5) no . 2_766
C11 C11 3.479(5) no . 2_766
C11 C30 3.390(6) no . 2_666
C11 C31 3.542(6) no . 2_666
C11 C35 3.594(7) no . 2_666
C12 O2 3.424(5) no . 2_766
C12 C9 3.246(6) no . 2_766
C12 C10 3.519(5) no . 2_766
C12 C13 3.361(6) no . 2_666
C12 C30 3.424(6) no . 2_666
C13 C1 3.578(6) no . 2_766
C13 C2 3.491(6) no . 2_766
C13 C12 3.361(6) no . 2_666
C13 C15 3.483(6) no . 2_666
C14 C2 3.464(6) no . 2_766
C14 C14 3.475(6) no . 2_666
C14 C15 3.517(6) no . 2_666
C15 C13 3.483(6) no . 2_666
C15 C14 3.517(6) no . 2_666
C16 C3 3.594(6) no . 2_766
C16 C6 3.410(6) no . 2_766
C16 C31 3.438(7) no . 2_666
C17 C3 3.588(6) no . 2_766
C17 C4 3.591(6) no . 2_766
C19 C31 3.589(7) no . 2_766
C23 Cl61 3.412(6) no . 2_867
C26 Cl62 3.424(7) no . 1_655
C27 Cl32 3.577(5) no . 1_666
C27 Cl62 3.278(7) no . 1_655
C28 C1 3.436(6) no . 2_867
C28 C2 3.229(6) no . 2_867
C29 C1 3.515(5) no . 2_867
C29 C2 3.443(6) no . 2_867
C29 C3 3.496(6) no . 2_867
C30 C11 3.390(6) no . 2_666
C30 C12 3.424(6) no . 2_666
C31 C10 3.571(6) no . 2_666
C31 C11 3.542(6) no . 2_666
C31 C16 3.438(7) no . 2_666
C31 C19 3.589(7) no . 2_766
C32 O3 3.450(9) no . 2_666
C32 C10 3.434(8) no . 2_666
C33 Cl21 3.345(7) no . 1_465
C33 C9 3.495(9) no . 2_666
C34 Cl61 3.546(9) no . 1_454
C35 Cl51 3.583(4) no . 2_666
C35 C8 3.510(7) no . 2_666
C35 C11 3.594(7) no . 2_666
C37 Cl11 3.535(6) no . .
C38 Cl11 3.461(6) no . .
C40 Cl81 3.561(4) no . 2_666
C42 O2 3.152(4) no . .
C42 O3 3.203(5) no . .
C43 O1 3.440(8) no . 2_766
C43 O3 3.379(8) no . .
C45 O1 3.268(5) no . .
Se1 H11 2.6379 no . .
Se1 H16 2.7594 no . .
Se2 H21 2.5941 no . .
Se2 H26 2.7659 no . .
O1 H3 2.4617 no . .
O1 H4 2.4866 no . .
O2 H1 2.0751 no . .
O2 H7 2.7568 no . .
O3 H6 2.0869 no . .
O3 H22 2.9872 no . .
C1 H7 2.6563 no . .
C1 H11 2.6440 no . .
C2 H2 3.2955 no . .
C2 H3 3.2778 no . .
C2 H7 2.6673 no . .
C4 H1 3.2965 no . .
C4 H3 2.4376 no . .
C4 H12 2.7339 no . .
C5 H12 2.6490 no . .
C5 H16 2.6615 no . .
C6 H1 2.6360 no . .
C6 H2 2.4870 no . .
C7 H1 2.8549 no . .
C8 H3 2.4977 no . .
C8 H4 2.5183 no . .
C9 H1 2.6653 no . .
C9 H3 3.3622 no . .
C10 H4 3.3721 no . .
C10 H6 2.6443 no . .
C11 H6 2.8440 no . .
C12 H5 2.4993 no . .
C12 H6 2.6496 no . .
C13 H17 2.6586 no . .
C13 H21 2.6518 no . .
C14 H4 2.4530 no . .
C14 H6 3.3122 no . .
C14 H17 2.6928 no . .
C16 H4 3.2913 no . .
C16 H5 3.3076 no . .
C16 H22 2.7094 no . .
C17 H22 2.6404 no . .
C17 H26 2.6770 no . .
C18 H1 2.6089 no . .
C18 H8 3.2500 no . .
C18 H10 3.2478 no . .
C19 H1 2.6083 no . .
C19 H9 3.2378 no . .
C19 H11 3.2147 no . .
C20 H10 3.1971 no . .
C21 H7 3.2320 no . .
C21 H11 3.2264 no . .
C22 H8 3.1937 no . .
C23 H7 3.2120 no . .
C23 H9 3.2389 no . .
C24 H2 2.5950 no . .
C24 H13 3.2577 no . .
C24 H15 3.2516 no . .
C25 H2 2.6618 no . .
C25 H14 3.2587 no . .
C25 H16 3.2489 no . .
C26 H15 3.2361 no . .
C27 H12 3.2581 no . .
C27 H16 3.2428 no . .
C28 H13 3.2311 no . .
C29 H12 3.2493 no . .
C29 H14 3.2479 no . .
C30 H5 2.6132 no . .
C30 H18 3.2628 no . .
C30 H20 3.2455 no . .
C31 H5 2.6383 no . .
C31 H19 3.2555 no . .
C31 H21 3.2551 no . .
C32 H20 3.2298 no . .
C33 H17 3.2558 no . .
C33 H21 3.2344 no . .
C34 H18 3.2315 no . .
C35 H17 3.2555 no . .
C35 H19 3.2352 no . .
C36 H6 2.5975 no . .
C36 H23 3.2542 no . .
C36 H25 3.2571 no . .
C37 H6 2.6772 no . .
C37 H24 3.2402 no . .
C37 H26 3.2465 no . .
C38 H25 3.2212 no . .
C39 H22 3.2355 no . .
C39 H26 3.2401 no . .
C40 H23 3.2205 no . .
C41 H22 3.2466 no . .
C41 H24 3.2441 no . .
H1 H3 3.5335 no . .
H1 H7 2.0834 no . .
H2 H3 2.1645 no . .
H2 H12 2.2673 no . .
H4 H5 2.1851 no . .
H4 H6 3.5493 no . .
H5 H17 2.1372 no . .
H6 H22 2.2474 no . .
H7 H8 2.2948 no . .
H8 H9 2.3105 no . .
H9 H10 2.2908 no . .
H10 H11 2.3139 no . .
H12 H13 2.3156 no . .
H13 H14 2.3201 no . .
H14 H15 2.3183 no . .
H15 H16 2.3128 no . .
H17 H18 2.3324 no . .
H18 H19 2.3309 no . .
H19 H20 2.2848 no . .
H20 H21 2.3122 no . .
H22 H23 2.3114 no . .
H23 H24 2.2999 no . .
H24 H25 2.3109 no . .
H25 H26 2.3131 no . .
Se1 H21 3.1746 no . 2_766
Se2 H4 3.3138 no . 2_666
Cl4 H4 2.9348 no . 2_766
Cl4 H5 2.8551 no . 2_766
Cl4 H7 3.2510 no . .
Cl4 H8 3.5364 no . .
Cl4 H9 3.3883 no . 2_856
Cl4 H17 3.2598 no . 2_766
Cl4 H26 3.1854 no . 1_655
Cl7 H2 2.8973 no . .
Cl7 H3 3.0637 no . .
Cl7 H11 3.1797 no . 2_867
Cl7 H23 3.3586 no . 2_766
Cl7 H24 3.0956 no . 1_666
Cl7 H25 3.4488 no . 1_666
Cl11 H13 3.5653 no . 1_444
Cl11 H14 2.8899 no . 1_444
Cl11 H18 3.2833 no . 2_666
Cl11 H22 3.3298 no . .
Cl11 H23 3.2177 no . .
Cl12 H14 3.0327 no . 1_444
Cl12 H18 2.9496 no . 2_666
Cl12 H22 3.5565 no . .
Cl12 H23 3.5632 no . .
Cl21 H8 3.1066 no . .
Cl21 H14 3.0392 no . 1_444
Cl21 H19 2.5310 no . 1_645
Cl22 H7 3.4846 no . .
Cl22 H8 3.0240 no . .
Cl22 H19 3.1711 no . 1_645
Cl31 H13 3.3576 no . 1_444
Cl31 H14 3.4011 no . 1_444
Cl31 H23 3.3688 no . .
Cl31 H26 3.4435 no . 1_655
Cl32 H10 3.0106 no . 2_856
Cl32 H14 3.0144 no . 1_444
Cl32 H25 3.5001 no . 1_655
Cl32 H26 3.5998 no . 1_655
Cl51 H3 3.2522 no . .
Cl51 H16 3.0167 no . 2_867
Cl51 H20 3.1263 no . 2_666
Cl51 H21 2.9360 no . 2_666
Cl52 H21 3.2907 no . 2_666
Cl61 H10 3.3572 no . 2_867
Cl61 H11 2.8185 no . 2_867
Cl61 H20 2.9219 no . 1_656
Cl62 H10 3.2329 no . 2_867
Cl62 H11 3.5207 no . 2_867
Cl62 H14 3.4422 no . 1_455
Cl62 H25 3.5879 no . 1_666
Cl81 H25 3.2241 no . 1_666
Cl81 H25 3.0441 no . 2_666
Cl81 H26 3.1518 no . 2_666
Cl82 H23 3.5031 no . 2_766
Cl82 H25 3.2615 no . 1_666
Cl82 H25 3.5187 no . 2_666
Cl82 H26 3.2125 no . 2_666
O1 H21 3.5541 no . 2_666
O1 H22 3.5799 no . 2_766
O2 H4 3.2485 no . 2_766
O2 H5 3.5210 no . 2_766
O2 H15 3.4781 no . 2_867
O2 H19 3.4407 no . 2_666
O3 H18 3.4188 no . 2_666
C1 H15 3.4433 no . 2_867
C2 H15 2.8929 no . 2_867
C2 H16 3.3059 no . 2_867
C3 H15 3.2515 no . 2_867
C3 H16 2.9860 no . 2_867
C4 H16 3.0047 no . 2_867
C5 H16 3.3240 no . 2_867
C6 H6 3.4442 no . 2_766
C6 H15 3.5043 no . 2_867
C6 H16 3.5365 no . 2_867
C6 H22 3.2515 no . 2_766
C7 H6 3.5714 no . 2_766
C8 H21 3.5747 no . 2_666
C9 H4 3.3570 no . 2_766
C13 H4 3.4228 no . 2_666
C14 H1 3.2695 no . 2_766
C14 H7 3.4868 no . 2_766
C15 H17 3.3792 no . 2_666
C16 H17 2.9346 no . 2_666
C17 H17 3.3761 no . 2_666
C20 H9 3.5974 no . 2_856
C20 H18 3.4356 no . 1_645
C21 H8 3.4586 no . 2_856
C21 H18 3.3730 no . 1_645
C26 H23 3.3927 no . 1_666
C26 H24 3.4902 no . 1_666
C28 H1 3.3235 no . 2_867
C28 H20 2.9898 no . 1_756
C31 H6 3.2237 no . 2_666
C31 H7 3.5585 no . 2_766
C32 H9 3.5237 no . 1_465
C33 H15 3.3636 no . 1_354
C34 H15 3.0736 no . 1_354
C36 H2 3.4609 no . 2_766
C36 H12 3.0848 no . 2_766
C37 H2 3.2388 no . 2_766
C37 H3 3.3876 no . 2_766
C37 H12 3.1949 no . 2_766
C38 H12 3.2966 no . 2_766
C38 H13 3.1614 no . 1_444
C38 H24 3.1813 no . 2_655
C39 H10 3.3356 no . 2_756
C39 H12 3.3155 no . 2_766
C39 H13 3.3931 no . 1_444
C39 H23 3.4993 no . 2_655
C39 H24 3.1583 no . 2_655
C40 H10 3.0116 no . 2_756
C40 H12 3.2077 no . 2_766
C41 H12 3.0854 no . 2_766
C42 H14 3.5419 no . 1_444
C43 H4 3.5057 no . 2_766
C45 H3 3.4016 no . .
H1 C14 3.2695 no . 2_766
H1 C28 3.3235 no . 2_867
H1 H5 3.3106 no . 2_766
H1 H15 2.8052 no . 2_867
H2 Cl7 2.8973 no . .
H2 C36 3.4609 no . 2_766
H2 C37 3.2388 no . 2_766
H2 H16 3.3599 no . 2_867
H2 H22 3.1408 no . 2_766
H3 Cl7 3.0637 no . .
H3 Cl51 3.2522 no . .
H3 C37 3.3876 no . 2_766
H3 C45 3.4016 no . .
H3 H6 3.4878 no . 2_766
H3 H22 2.7114 no . 2_766
H4 Se2 3.3138 no . 2_666
H4 Cl4 2.9348 no . 2_766
H4 O2 3.2485 no . 2_766
H4 C9 3.3570 no . 2_766
H4 C13 3.4228 no . 2_666
H4 C43 3.5057 no . 2_766
H5 Cl4 2.8551 no . 2_766
H5 O2 3.5210 no . 2_766
H5 H1 3.3106 no . 2_766
H5 H7 3.0267 no . 2_766
H6 C6 3.4442 no . 2_766
H6 C7 3.5714 no . 2_766
H6 C31 3.2237 no . 2_666
H6 H3 3.4878 no . 2_766
H6 H17 2.8658 no . 2_666
H7 Cl4 3.2510 no . .
H7 Cl22 3.4846 no . .
H7 C14 3.4868 no . 2_766
H7 C31 3.5585 no . 2_766
H7 H5 3.0267 no . 2_766
H7 H17 3.4823 no . 2_766
H8 Cl4 3.5364 no . .
H8 Cl21 3.1066 no . .
H8 Cl22 3.0240 no . .
H8 C21 3.4586 no . 2_856
H8 H8 3.4451 no . 2_856
H8 H9 2.9817 no . 2_856
H8 H18 2.9490 no . 1_645
H9 Cl4 3.3883 no . 2_856
H9 C20 3.5974 no . 2_856
H9 C32 3.5237 no . 1_645
H9 H8 2.9817 no . 2_856
H9 H17 3.4643 no . 1_645
H9 H18 2.8366 no . 1_645
H10 Cl32 3.0106 no . 2_856
H10 Cl61 3.3572 no . 2_867
H10 Cl62 3.2329 no . 2_867
H10 C39 3.3356 no . 2_756
H10 C40 3.0116 no . 2_756
H10 H24 3.4328 no . 2_756
H10 H25 2.8949 no . 2_756
H11 Cl7 3.1797 no . 2_867
H11 Cl61 2.8185 no . 2_867
H11 Cl62 3.5207 no . 2_867
H12 C36 3.0848 no . 2_766
H12 C37 3.1949 no . 2_766
H12 C38 3.2966 no . 2_766
H12 C39 3.3155 no . 2_766
H12 C40 3.2077 no . 2_766
H12 C41 3.0854 no . 2_766
H12 H24 3.4309 no . 1_666
H12 H26 3.5306 no . 2_766
H13 Cl11 3.5653 no . 1_666
H13 Cl31 3.3576 no . 1_666
H13 C38 3.1614 no . 1_666
H13 C39 3.3931 no . 1_666
H13 H23 2.4998 no . 1_666
H13 H24 2.9638 no . 1_666
H14 Cl11 2.8899 no . 1_666
H14 Cl12 3.0327 no . 1_666
H14 Cl21 3.0392 no . 1_666
H14 Cl31 3.4011 no . 1_666
H14 Cl32 3.0144 no . 1_666
H14 Cl62 3.4422 no . 1_655
H14 C42 3.5419 no . 1_666
H14 H19 3.3137 no . 1_756
H15 O2 3.4781 no . 2_867
H15 C1 3.4433 no . 2_867
H15 C2 2.8929 no . 2_867
H15 C3 3.2515 no . 2_867
H15 C6 3.5043 no . 2_867
H15 C33 3.3636 no . 1_756
H15 C34 3.0736 no . 1_756
H15 H1 2.8052 no . 2_867
H15 H19 2.9719 no . 1_756
H15 H20 2.3851 no . 1_756
H16 Cl51 3.0167 no . 2_867
H16 C2 3.3059 no . 2_867
H16 C3 2.9860 no . 2_867
H16 C4 3.0047 no . 2_867
H16 C5 3.3240 no . 2_867
H16 C6 3.5365 no . 2_867
H16 H2 3.3599 no . 2_867
H17 Cl4 3.2598 no . 2_766
H17 C15 3.3792 no . 2_666
H17 C16 2.9346 no . 2_666
H17 C17 3.3761 no . 2_666
H17 H6 2.8658 no . 2_666
H17 H7 3.4823 no . 2_766
H17 H9 3.4643 no . 1_465
H18 Cl11 3.2833 no . 2_666
H18 Cl12 2.9496 no . 2_666
H18 O3 3.4188 no . 2_666
H18 C20 3.4356 no . 1_465
H18 C21 3.3730 no . 1_465
H18 H8 2.9490 no . 1_465
H18 H9 2.8366 no . 1_465
H19 Cl21 2.5310 no . 1_465
H19 Cl22 3.1711 no . 1_465
H19 O2 3.4407 no . 2_666
H19 H14 3.3137 no . 1_354
H19 H15 2.9719 no . 1_354
H20 Cl51 3.1263 no . 2_666
H20 Cl61 2.9219 no . 1_454
H20 C28 2.9898 no . 1_354
H20 H15 2.3851 no . 1_354
H21 Se1 3.1746 no . 2_766
H21 Cl51 2.9360 no . 2_666
H21 Cl52 3.2907 no . 2_666
H21 O1 3.5541 no . 2_666
H21 C8 3.5747 no . 2_666
H22 Cl11 3.3298 no . .
H22 Cl12 3.5565 no . .
H22 O1 3.5799 no . 2_766
H22 C6 3.2515 no . 2_766
H22 H2 3.1408 no . 2_766
H22 H3 2.7114 no . 2_766
H23 Cl7 3.3586 no . 2_766
H23 Cl11 3.2177 no . .
H23 Cl12 3.5632 no . .
H23 Cl31 3.3688 no . .
H23 Cl82 3.5031 no . 2_766
H23 C26 3.3927 no . 1_444
H23 C39 3.4993 no . 2_655
H23 H13 2.4998 no . 1_444
H23 H24 2.9213 no . 2_655
H24 Cl7 3.0956 no . 1_444
H24 C26 3.4902 no . 1_444
H24 C38 3.1813 no . 2_655
H24 C39 3.1583 no . 2_655
H24 H10 3.4328 no . 2_756
H24 H12 3.4309 no . 1_444
H24 H13 2.9638 no . 1_444
H24 H23 2.9213 no . 2_655
H24 H24 2.8991 no . 2_655
H25 Cl7 3.4488 no . 1_444
H25 Cl32 3.5001 no . 1_455
H25 Cl62 3.5879 no . 1_444
H25 Cl81 3.2241 no . 1_444
H25 Cl81 3.0441 no . 2_666
H25 Cl82 3.2615 no . 1_444
H25 Cl82 3.5187 no . 2_666
H25 H10 2.8949 no . 2_756
H26 Cl4 3.1854 no . 1_455
H26 Cl31 3.4435 no . 1_455
H26 Cl32 3.5998 no . 1_455
H26 Cl81 3.1518 no . 2_666
H26 Cl82 3.2125 no . 2_666
H26 H12 3.5306 no . 2_766

#==============================================================================

#==============================================================================
# Additional structures and associated data_? identifiers
# should be added at this point if there is more than one 
# structure analysis in the CIF.

#==============================================================================
#     End of CIF
#==============================================================================
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: Chloroform/hexane'
