#------------------------------------------------------------------------------
#$Date: 2016-03-23 01:56:35 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179162 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/23/4312369.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4312369
loop_
_publ_author_name
'Evgeny V. Dikarev'
'Renee Y. Becker'
'Eric Block'
'Zhixing Shan'
'R. Curtis Haltiwanger'
'Marina A. Petrukhina'
_publ_section_title
;
 The First Coordination Complexes of Selenones: A Structural Comparison
 with Complexes of Sulfones
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              7098
_journal_page_last               7105
_journal_paper_doi               10.1021/ic0302130
_journal_volume                  42
_journal_year                    2003
_chemical_formula_moiety
'[Rh2 (O2 C C F3)4 ((C6 H5)2 Se O2)], (C2 H4 Cl2)'
_chemical_formula_sum            'C22 H14 Cl2 F12 O10 Rh2 Se'
_chemical_formula_weight         1022.01
_chemical_melting_point          ?
_chemical_name_systematic
;
  catena-{tetrakis(mu2-trifluoroacetato-O,O')-(mu2-diphenyl selenone-O,O')]-
  di-rhodium(II,II)},1,2-dichloroethane solvate
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                108.9900(10)
_cell_angle_beta                 97.7230(10)
_cell_angle_gamma                117.0250(10)
_cell_formula_units_Z            2
_cell_length_a                   11.8427(7)
_cell_length_b                   12.9521(8)
_cell_length_c                   13.2926(8)
_cell_measurement_reflns_used    5713
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      27.20
_cell_measurement_theta_min      2.19
_cell_volume                     1618.16(17)
_computing_cell_refinement       'SMART, SAINT'
_computing_data_collection       SMART
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXP-93 (Sheldrick, 1993)'
_computing_publication_material  'SHELXCIF-93 (Sheldrick, 1993)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.903
_diffrn_measured_fraction_theta_max 0.903
_diffrn_measurement_device_type  'Bruker Smart Apex CCD'
_diffrn_measurement_method       '0.3 deg wide ω exposures'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0137
_diffrn_reflns_av_sigmaI/netI    0.0207
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            14100
_diffrn_reflns_theta_full        28.30
_diffrn_reflns_theta_max         28.30
_diffrn_reflns_theta_min         1.72
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count na
_diffrn_standards_interval_time  na
_diffrn_standards_number         none
_exptl_absorpt_coefficient_mu    2.429
_exptl_absorpt_correction_T_max  0.7760
_exptl_absorpt_correction_T_min  0.6973
_exptl_absorpt_correction_type   'multi-scan (SADABS)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    2.098
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    none
_exptl_crystal_description       block
_exptl_crystal_F_000             984
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.11
_refine_diff_density_max         1.116
_refine_diff_density_min         -1.146
_refine_diff_density_rms         0.116
_refine_ls_extinction_coef       noref
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.050
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     450
_refine_ls_number_reflns         7268
_refine_ls_number_restraints     53
_refine_ls_restrained_S_all      1.091
_refine_ls_R_factor_all          0.0390
_refine_ls_R_factor_gt           0.0363
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0532P)²+3.9926P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0970
_refine_ls_wR_factor_ref         0.0992
_reflns_number_gt                6678
_reflns_number_total             7268
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0302130_1.cif
_cod_data_source_block           '[Rh2(O2CCF3)4(Ph2SeO2)],(C2H4Cl2)_(4a')'
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value 'not measured' was changed to '?' -
the value is undefined or not given.

Automatic conversion script
Id: cif_fix_values 1569 2011-02-09 13:29:24Z adriana 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_database_code               4312369
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1 Rh 0.58882(3) 0.61153(3) 0.54685(2) 0.02507(8) Uani 1 1 d . . .
Rh2 Rh 0.97567(3) 1.01900(3) 0.91961(2) 0.02303(8) Uani 1 1 d . . .
Se1 Se 0.80538(3) 0.96256(3) 0.66140(3) 0.02355(9) Uani 1 1 d . . .
O1 O 0.7159(3) 0.5585(3) 0.4937(2) 0.0339(6) Uani 1 1 d . A .
O2 O 0.4519(3) 0.6526(3) 0.5940(2) 0.0348(6) Uani 1 1 d . . .
O3 O 0.6313(3) 0.5845(3) 0.6868(2) 0.0347(6) Uani 1 1 d . B .
O4 O 0.5369(3) 0.6263(3) 0.4023(2) 0.0344(6) Uani 1 1 d . . .
O5 O 1.1770(3) 1.1286(3) 0.9520(2) 0.0324(6) Uani 1 1 d . C .
O6 O 0.7772(3) 0.9079(3) 0.8963(2) 0.0312(6) Uani 1 1 d . . .
O7 O 0.9798(3) 0.8624(3) 0.8265(2) 0.0291(5) Uani 1 1 d . D .
O8 O 0.9759(3) 1.1750(3) 1.0225(2) 0.0325(6) Uani 1 1 d . . .
C1 C 0.6672(4) 0.4402(4) 0.4389(4) 0.0344(8) Uani 1 1 d . . .
C3 C 0.5599(4) 0.4737(4) 0.6790(4) 0.0358(8) Uani 1 1 d . . .
C5 C 1.2520(4) 1.1371(4) 1.0339(3) 0.0326(8) Uani 1 1 d . . .
C7 C 1.0048(4) 0.8043(4) 0.8761(3) 0.0298(7) Uani 1 1 d . . .
O9 O 0.7658(3) 0.8151(2) 0.6256(2) 0.0303(5) Uani 1 1 d . . .
O10 O 0.9383(3) 1.0675(2) 0.7743(2) 0.0262(5) Uani 1 1 d . . .
C9 C 0.6638(4) 0.9886(4) 0.6889(4) 0.0345(8) Uani 1 1 d . . .
C10 C 0.6857(5) 1.0698(6) 0.7963(4) 0.0507(12) Uani 1 1 d . . .
H10 H 0.7676 1.1095 0.8554 0.061 Uiso 1 1 calc R . .
C11 C 0.5862(7) 1.0923(7) 0.8161(6) 0.0721(18) Uani 1 1 d . . .
H11 H 0.5985 1.1475 0.8898 0.086 Uiso 1 1 calc R . .
C12 C 0.4691(7) 1.0348(8) 0.7293(7) 0.075(2) Uani 1 1 d . . .
H12 H 0.4012 1.0517 0.7434 0.091 Uiso 1 1 calc R . .
C13 C 0.4479(5) 0.9530(7) 0.6220(6) 0.0661(17) Uani 1 1 d . . .
H13 H 0.3653 0.9127 0.5634 0.079 Uiso 1 1 calc R . .
C14 C 0.5480(5) 0.9293(5) 0.5994(5) 0.0473(11) Uani 1 1 d . . .
H14 H 0.5367 0.8748 0.5257 0.057 Uiso 1 1 calc R . .
C15 C 0.8415(4) 1.0029(4) 0.5388(3) 0.0275(7) Uani 1 1 d . . .
C16 C 0.9038(4) 1.1304(4) 0.5590(4) 0.0363(8) Uani 1 1 d . . .
H16 H 0.9261 1.1959 0.6308 0.044 Uiso 1 1 calc R . .
C17 C 0.9330(5) 1.1597(5) 0.4702(4) 0.0428(10) Uani 1 1 d . . .
H17 H 0.9776 1.2467 0.4811 0.051 Uiso 1 1 calc R . .
C18 C 0.8971(4) 1.0624(5) 0.3667(4) 0.0402(10) Uani 1 1 d . . .
H18 H 0.9164 1.0828 0.3062 0.048 Uiso 1 1 calc R . .
C19 C 0.8336(4) 0.9356(5) 0.3493(4) 0.0413(10) Uani 1 1 d . . .
H19 H 0.8092 0.8696 0.2771 0.050 Uiso 1 1 calc R . .
C20 C 0.8051(4) 0.9037(4) 0.4371(3) 0.0327(8) Uani 1 1 d . . .
H20 H 0.7623 0.8170 0.4269 0.039 Uiso 1 1 calc R . .
C2 C 0.7677(5) 0.4008(5) 0.4121(5) 0.0518(12) Uani 1 1 d D A 1
F1 F 0.7165(7) 0.2923(6) 0.3245(6) 0.0538(16) Uiso 0.50 1 d PD A 1
F2 F 0.8026(8) 0.3714(7) 0.5014(7) 0.0550(18) Uiso 0.50 1 d PD A 1
F3 F 0.8742(7) 0.4931(7) 0.4034(7) 0.059(2) Uiso 0.50 1 d PD A 1
F1X F 0.7186(8) 0.3204(7) 0.2985(6) 0.0642(19) Uiso 0.50 1 d PD A 2
F2X F 0.7840(10) 0.3385(9) 0.4635(9) 0.081(3) Uiso 0.50 1 d PD A 2
F3X F 0.8903(7) 0.4989(6) 0.4400(7) 0.0530(18) Uiso 0.50 1 d PD A 2
C4 C 0.5974(5) 0.4546(5) 0.7846(4) 0.0555(13) Uani 1 1 d D B 1
F4 F 0.6866(10) 0.5706(6) 0.8746(6) 0.0321(15) Uiso 0.40 1 d PD B 1
F5 F 0.6587(11) 0.3818(10) 0.7539(8) 0.048(2) Uiso 0.40 1 d PD B 1
F6 F 0.4904(7) 0.3882(10) 0.8091(8) 0.0427(18) Uiso 0.40 1 d PD B 1
F4X F 0.7121(11) 0.5534(11) 0.8613(10) 0.059(4) Uiso 0.30 1 d PD B 2
F5X F 0.6260(12) 0.3733(10) 0.7729(10) 0.050(3) Uiso 0.30 1 d PD B 2
F6X F 0.4904(10) 0.4299(13) 0.8267(10) 0.054(3) Uiso 0.30 1 d PD B 2
F4Y F 0.6463(16) 0.5597(12) 0.8812(11) 0.074(5) Uiso 0.30 1 d PD B 3
F5Y F 0.6887(17) 0.4232(19) 0.7829(19) 0.107(7) Uiso 0.30 1 d PD B 3
F6Y F 0.4996(12) 0.3504(12) 0.7874(12) 0.070(4) Uiso 0.30 1 d PD B 3
C6 C 1.4036(5) 1.2081(5) 1.0495(4) 0.0476(11) Uani 1 1 d D C 1
F7 F 1.4257(10) 1.1175(9) 0.9899(9) 0.089(3) Uiso 0.50 1 d PD C 1
F8 F 1.4804(7) 1.2599(7) 1.1516(5) 0.0606(17) Uiso 0.50 1 d PD C 1
F9 F 1.4338(8) 1.2913(8) 1.0012(7) 0.0666(19) Uiso 0.50 1 d PD C 1
F7X F 1.4477(8) 1.1247(8) 1.0383(8) 0.071(2) Uiso 0.50 1 d PD C 2
F8X F 1.4770(6) 1.3078(6) 1.1511(5) 0.0498(14) Uiso 0.50 1 d PD C 2
F9X F 1.4318(7) 1.2420(7) 0.9699(6) 0.0546(15) Uiso 0.50 1 d PD C 2
C8 C 1.0151(5) 0.6914(5) 0.8015(4) 0.0422(10) Uani 1 1 d D D 1
F10 F 0.9032(7) 0.5775(6) 0.7819(7) 0.0373(14) Uiso 0.40 1 d PD D 1
F11 F 1.0216(10) 0.6892(8) 0.7023(5) 0.0288(13) Uiso 0.40 1 d PD D 1
F12 F 1.1242(8) 0.6972(9) 0.8530(6) 0.0369(16) Uiso 0.40 1 d PD D 1
F10X F 0.961(2) 0.5932(15) 0.8239(15) 0.100(5) Uiso 0.30 1 d PD D 2
F11X F 0.9684(14) 0.6556(13) 0.6937(8) 0.060(3) Uiso 0.30 1 d PD D 2
F12X F 1.1497(14) 0.742(2) 0.8370(18) 0.130(8) Uiso 0.30 1 d PD D 2
F10Y F 0.8953(12) 0.5836(12) 0.7424(13) 0.078(4) Uiso 0.30 1 d PD D 3
F11Y F 1.0761(14) 0.7238(12) 0.7279(10) 0.057(3) Uiso 0.30 1 d PD D 3
F12Y F 1.0865(12) 0.6657(11) 0.8599(8) 0.047(3) Uiso 0.30 1 d PD D 3
C21 C -0.1028(8) 0.6038(10) 0.0787(8) 0.039(2) Uiso 0.50 1 d PD E 1
H21A H -0.0966 0.6875 0.1015 0.047 Uiso 0.50 1 calc PR E 1
H21B H -0.1198 0.5672 -0.0036 0.047 Uiso 0.50 1 calc PR E 1
C22 C -0.2241(10) 0.5135(9) 0.1010(8) 0.046(2) Uiso 0.50 1 d PD E 1
H22A H -0.2331 0.4285 0.0766 0.055 Uiso 0.50 1 calc PR E 1
H22B H -0.3065 0.5007 0.0551 0.055 Uiso 0.50 1 calc PR E 1
Cl1 Cl 0.0556(4) 0.6337(4) 0.1479(4) 0.0614(11) Uiso 0.50 1 d PD E 1
Cl2 Cl -0.2118(4) 0.5706(4) 0.2391(4) 0.0769(11) Uiso 0.50 1 d PD E 1
C21X C -0.1290(16) 0.552(2) 0.0695(14) 0.107(7) Uiso 0.50 1 d PD F 2
H21C H -0.1217 0.5669 0.0015 0.128 Uiso 0.50 1 calc PR F 2
H21D H -0.1811 0.4578 0.0449 0.128 Uiso 0.50 1 calc PR F 2
C22X C -0.2020(19) 0.609(2) 0.1242(14) 0.108(6) Uiso 0.50 1 d PD F 2
H22C H -0.2911 0.5679 0.0675 0.130 Uiso 0.50 1 calc PR F 2
H22D H -0.1523 0.7013 0.1410 0.130 Uiso 0.50 1 calc PR F 2
Cl1X Cl 0.0331(4) 0.6189(4) 0.1611(3) 0.0606(11) Uiso 0.50 1 d PD F 2
Cl2X Cl -0.2291(3) 0.5993(3) 0.2455(3) 0.0571(7) Uiso 0.50 1 d PD F 2
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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Se Se -0.0929 2.2259 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -1.1178 0.9187 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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 Rh1 O2 88.46(12) . . y
O4 Rh1 O1 91.07(12) . . y
O2 Rh1 O1 176.34(11) . . y
O4 Rh1 O3 176.34(11) . . y
O2 Rh1 O3 91.41(12) . . y
O1 Rh1 O3 88.83(12) . . y
O4 Rh1 O9 90.38(11) . . y
O2 Rh1 O9 97.16(11) . . y
O1 Rh1 O9 86.48(11) . . y
O3 Rh1 O9 93.27(10) . . y
O4 Rh1 Rh1 88.43(8) . 2_666 n
O2 Rh1 Rh1 87.85(8) . 2_666 n
O1 Rh1 Rh1 88.50(8) . 2_666 n
O3 Rh1 Rh1 87.91(8) . 2_666 n
O9 Rh1 Rh1 174.82(7) . 2_666 y
O7 Rh2 O6 91.66(11) . . y
O7 Rh2 O5 88.34(11) . . y
O6 Rh2 O5 176.33(10) . . y
O7 Rh2 O8 176.16(10) . . y
O6 Rh2 O8 88.66(12) . . y
O5 Rh2 O8 91.10(12) . . y
O7 Rh2 O10 95.11(10) . . y
O6 Rh2 O10 94.39(10) . . y
O5 Rh2 O10 89.27(10) . . y
O8 Rh2 O10 88.68(10) . . y
O7 Rh2 Rh2 87.45(7) . 2_777 n
O6 Rh2 Rh2 87.74(7) . 2_777 n
O5 Rh2 Rh2 88.59(7) . 2_777 n
O8 Rh2 Rh2 88.74(7) . 2_777 n
O10 Rh2 Rh2 176.62(7) . 2_777 y
O9 Se1 O10 113.46(13) . . y
O9 Se1 C15 107.82(15) . . y
O10 Se1 C15 108.22(15) . . y
O9 Se1 C9 113.17(16) . . y
O10 Se1 C9 106.77(17) . . y
C15 Se1 C9 107.13(16) . . y
C1 O1 Rh1 116.7(2) . . n
C1 O2 Rh1 117.3(3) 2_666 . n
C3 O3 Rh1 116.9(3) . . n
C3 O4 Rh1 116.7(3) 2_666 . n
C5 O5 Rh2 116.5(2) . . n
C5 O6 Rh2 117.3(2) 2_777 . n
C7 O7 Rh2 117.9(2) . . n
C7 O8 Rh2 116.2(2) 2_777 . n
O1 C1 O2 129.6(4) . 2_666 n
O1 C1 C2 115.9(4) . . n
O2 C1 C2 114.4(4) 2_666 . n
O3 C3 O4 130.1(4) . 2_666 n
O3 C3 C4 115.8(4) . . n
O4 C3 C4 114.0(4) 2_666 . n
O5 C5 O6 129.8(4) . 2_777 n
O5 C5 C6 115.9(4) . . n
O6 C5 C6 114.3(4) 2_777 . n
O7 C7 O8 129.6(4) . 2_777 n
O7 C7 C8 115.1(3) . . n
O8 C7 C8 115.3(3) 2_777 . n
Se1 O9 Rh1 142.30(15) . . y
Se1 O10 Rh2 120.36(13) . . y
C10 C9 C14 123.6(4) . . n
C10 C9 Se1 118.0(3) . . n
C14 C9 Se1 118.3(4) . . n
C9 C10 C11 118.4(5) . . n
C12 C11 C10 119.8(6) . . n
C11 C12 C13 121.3(5) . . n
C12 C13 C14 120.0(5) . . n
C9 C14 C13 116.8(5) . . n
C20 C15 C16 124.2(4) . . n
C20 C15 Se1 118.1(3) . . n
C16 C15 Se1 117.6(3) . . n
C15 C16 C17 117.4(4) . . n
C18 C17 C16 119.8(4) . . n
C17 C18 C19 121.1(4) . . n
C18 C19 C20 120.3(4) . . n
C15 C20 C19 117.1(4) . . n
F1 C2 F3 109.9(6) . . n
F1 C2 F2 101.9(6) . . n
F3 C2 F2 113.1(6) . . n
F1 C2 C1 114.7(5) . . n
F3 C2 C1 112.2(5) . . n
F2 C2 C1 104.6(5) . . n
F6 C4 F4 110.4(8) . . n
F6 C4 F5 109.0(8) . . n
F4 C4 F5 110.3(7) . . n
F6 C4 C3 112.3(5) . . n
F4 C4 C3 110.4(5) . . n
F5 C4 C3 104.2(6) . . n
F8 C6 F7 106.2(7) . . n
F8 C6 F9 113.6(6) . . n
F7 C6 F9 106.1(7) . . n
F8 C6 C5 113.8(5) . . n
F7 C6 C5 106.1(6) . . n
F9 C6 C5 110.4(5) . . n
F11 C8 F12 107.4(6) . . n
F11 C8 F10 107.6(6) . . n
F12 C8 F10 108.7(6) . . n
F11 C8 C7 113.3(4) . . n
F12 C8 C7 110.9(5) . . n
F10 C8 C7 108.8(4) . . n
C22 C21 Cl1 116.5(7) . . n
C21 C22 Cl2 112.8(7) . . n
C22X C21X Cl1X 112.0(13) . . n
C21X C22X Cl2X 120.0(14) . . n
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
Rh1 O4 2.034(3) . y
Rh1 O2 2.036(3) . y
Rh1 O1 2.036(3) . y
Rh1 O3 2.041(3) . y
Rh1 O9 2.243(3) . y
Rh1 Rh1 2.3989(6) 2_666 y
Rh2 O7 2.031(3) . y
Rh2 O6 2.032(3) . y
Rh2 O5 2.033(3) . y
Rh2 O8 2.037(3) . y
Rh2 O10 2.266(2) . y
Rh2 Rh2 2.3986(5) 2_777 y
Se1 O9 1.621(3) . y
Se1 O10 1.634(3) . y
Se1 C15 1.910(3) . y
Se1 C9 1.912(4) . y
O1 C1 1.252(5) . n
O2 C1 1.256(5) 2_666 n
O3 C3 1.250(5) . n
O4 C3 1.251(5) 2_666 n
O5 C5 1.250(5) . n
O6 C5 1.256(5) 2_777 n
O7 C7 1.250(5) . n
O8 C7 1.252(4) 2_777 n
C1 O2 1.256(5) 2_666 n
C1 C2 1.534(6) . n
C3 O4 1.251(5) 2_666 n
C3 C4 1.545(6) . n
C5 O6 1.256(5) 2_777 n
C5 C6 1.545(6) . n
C7 O8 1.252(4) 2_777 n
C7 C8 1.546(6) . n
C9 C10 1.374(7) . n
C9 C14 1.377(6) . n
C10 C11 1.374(7) . n
C11 C12 1.372(10) . n
C12 C13 1.378(10) . n
C13 C14 1.400(7) . n
C15 C20 1.369(6) . n
C15 C16 1.377(6) . n
C16 C17 1.392(6) . n
C17 C18 1.374(7) . n
C18 C19 1.378(7) . n
C19 C20 1.392(5) . n
C2 F1 1.292(8) . n
C2 F3 1.339(8) . n
C2 F2 1.424(9) . n
C4 F6 1.325(8) . n
C4 F4 1.361(8) . n
C4 F5 1.426(10) . n
C6 F8 1.280(8) . n
C6 F7 1.343(10) . n
C6 F9 1.366(8) . n
C8 F11 1.323(7) . n
C8 F12 1.336(8) . n
C8 F10 1.372(8) . n
C21 C22 1.527(12) . n
C21 Cl1 1.778(9) . n
C22 Cl2 1.698(10) . n
C21X C22X 1.489(17) . n
C21X Cl1X 1.758(14) . n
C22X Cl2X 1.717(15) . n
