#------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: svn://www.crystallography.net/cod/cif/2/01/72/2017243.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2017243
loop_
_publ_author_name
'Lari, Alberth'
'Rominger, Frank'
'Gleiter, Rolf'
_publ_section_title
;
 Similarities and differences between bis[2-(bromomethyl)phenyl]
 diselenide, bis[2-(chloromethyl)phenyl] diselenide and
 bis[2-(hydroxymethyl)phenyl] diselenide
;
_journal_coeditor_code           GD3293
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              o400
_journal_page_last               o403
_journal_paper_doi               10.1107/S0108270109025682
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac          'C14 H12 Cl2 Se2'
_chemical_formula_moiety         'C14 H12 Cl2 Se2'
_chemical_formula_sum            'C14 H12 Cl2 Se2'
_chemical_formula_weight         409.06
_chemical_name_common            '2,2'-Diselenodibenzyl chloride'
_chemical_name_systematic
;
bis[2-(chloromethyl)phenyl] diselenide
;
_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                98.3880(10)
_cell_angle_beta                 95.2870(10)
_cell_angle_gamma                90.6100(10)
_cell_formula_units_Z            4
_cell_length_a                   7.9160(2)
_cell_length_b                   8.02150(10)
_cell_length_c                   23.4689(4)
_cell_measurement_reflns_used    5803
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      23.0
_cell_measurement_theta_min      1.8
_cell_volume                     1467.58(5)
_computing_cell_refinement       'SAINT (Bruker, 1995)'
_computing_data_collection       'SMART (Bruker, 1995)'
_computing_data_reduction        'SAINT (Bruker, 1995)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008a)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008a)'
_computing_structure_refinement  'SHELXTL (Sheldrick, 2008a)'
_computing_structure_solution    'SHELXTL (Sheldrick, 2008a)'
_diffrn_ambient_temperature      200(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker SMART CCD'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0560
_diffrn_reflns_av_sigmaI/netI    0.0817
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            14837
_diffrn_reflns_theta_full        27.42
_diffrn_reflns_theta_max         27.42
_diffrn_reflns_theta_min         1.76
_exptl_absorpt_coefficient_mu    5.382
_exptl_absorpt_correction_T_max  0.724
_exptl_absorpt_correction_T_min  0.390
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SADABS; Sheldrick, 2008b)
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.851
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platte
_exptl_crystal_F_000             792
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.06
_refine_diff_density_max         0.491
_refine_diff_density_min         -0.514
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     325
_refine_ls_number_reflns         6651
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.042
_refine_ls_R_factor_all          0.0936
_refine_ls_R_factor_gt           0.0501
_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)+(0.0308P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0854
_refine_ls_wR_factor_ref         0.0998
_reflns_number_gt                4403
_reflns_number_total             6651
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            gd3293.cif
_cod_data_source_block           II
_cod_database_code               2017243
_cod_database_fobs_code          2017243
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Se Se1A 0.02252(6) 0.35676(7) 0.19834(2) 0.03901(14) Uani d . 1 . .
Se Se2A 0.13781(7) 0.47430(6) 0.28967(2) 0.04203(15) Uani d . 1 . .
Cl Cl1A -0.09164(17) 0.24958(19) 0.04805(6) 0.0543(4) Uani d . 1 . .
Cl Cl2A 0.20042(18) 0.60849(17) 0.44710(6) 0.0523(4) Uani d . 1 . .
C C11A 0.2160(5) 0.2568(6) 0.1628(2) 0.0301(11) Uani d . 1 . .
C C12A 0.3819(6) 0.2981(6) 0.1857(2) 0.0407(12) Uani d . 1 . .
H H12A 0.4034 0.3739 0.2208 0.049 Uiso calc R 1 . .
C C13A 0.5159(6) 0.2280(7) 0.1571(2) 0.0456(14) Uani d . 1 . .
H H13A 0.6291 0.2564 0.1728 0.055 Uiso calc R 1 . .
C C14A 0.4872(6) 0.1179(7) 0.1062(2) 0.0460(14) Uani d . 1 . .
H H14A 0.5799 0.0703 0.0871 0.055 Uiso calc R 1 . .
C C15A 0.3223(6) 0.0774(6) 0.0833(2) 0.0415(13) Uani d . 1 . .
H H15A 0.3020 0.0028 0.0479 0.050 Uiso calc R 1 . .
C C16A 0.1853(6) 0.1443(6) 0.1114(2) 0.0327(11) Uani d . 1 . .
C C17A 0.0095(6) 0.0901(7) 0.0864(2) 0.0435(13) Uani d . 1 . .
H H17A -0.0591 0.0685 0.1178 0.052 Uiso calc R 1 . .
H H17B 0.0139 -0.0164 0.0593 0.052 Uiso calc R 1 . .
C C21A 0.1105(5) 0.2876(6) 0.33259(19) 0.0289(10) Uani d . 1 . .
C C22A 0.1474(6) 0.1258(6) 0.3081(2) 0.0351(11) Uani d . 1 . .
H H22A 0.1873 0.1068 0.2707 0.042 Uiso calc R 1 . .
C C23A 0.1261(6) -0.0078(6) 0.3380(2) 0.0381(12) Uani d . 1 . .
H H23A 0.1514 -0.1188 0.3214 0.046 Uiso calc R 1 . .
C C24A 0.0678(6) 0.0204(6) 0.3924(2) 0.0403(12) Uani d . 1 . .
H H24A 0.0526 -0.0717 0.4128 0.048 Uiso calc R 1 . .
C C25A 0.0315(6) 0.1814(6) 0.4170(2) 0.0361(12) Uani d . 1 . .
H H25A -0.0081 0.1994 0.4544 0.043 Uiso calc R 1 . .
C C26A 0.0525(5) 0.3181(6) 0.3875(2) 0.0292(10) Uani d . 1 . .
C C27A 0.0092(6) 0.4921(6) 0.4144(2) 0.0375(12) Uani d . 1 . .
H H27A -0.0699 0.4842 0.4443 0.045 Uiso calc R 1 . .
H H27B -0.0479 0.5525 0.3844 0.045 Uiso calc R 1 . .
Se Se1B 0.68828(7) 0.77512(6) 0.30381(2) 0.03980(15) Uani d . 1 . .
Se Se2B 0.71591(6) 0.76686(7) 0.20615(2) 0.04104(15) Uani d . 1 . .
Cl Cl1B 0.68193(18) 0.82519(19) 0.45300(6) 0.0540(4) Uani d . 1 . .
Cl Cl2B 0.69297(17) 0.70381(17) 0.04715(6) 0.0483(3) Uani d . 1 . .
C C11B 0.6416(5) 1.0089(5) 0.3296(2) 0.0291(10) Uani d . 1 . .
C C12B 0.6884(6) 1.1366(6) 0.2988(2) 0.0365(12) Uani d . 1 . .
H H12B 0.7418 1.1099 0.2641 0.044 Uiso calc R 1 . .
C C13B 0.6549(6) 1.3042(6) 0.3201(2) 0.0426(13) Uani d . 1 . .
H H13B 0.6840 1.3916 0.2992 0.051 Uiso calc R 1 . .
C C14B 0.5808(6) 1.3432(6) 0.3706(2) 0.0444(13) Uani d . 1 . .
H H14B 0.5617 1.4576 0.3851 0.053 Uiso calc R 1 . .
C C15B 0.5337(6) 1.2169(6) 0.4006(2) 0.0417(13) Uani d . 1 . .
H H15B 0.4808 1.2453 0.4353 0.050 Uiso calc R 1 . .
C C16B 0.5628(6) 1.0478(6) 0.3805(2) 0.0324(11) Uani d . 1 . .
C C17B 0.5059(6) 0.9132(7) 0.4134(2) 0.0428(13) Uani d . 1 . .
H H17C 0.4451 0.8220 0.3860 0.051 Uiso calc R 1 . .
H H17D 0.4255 0.9618 0.4409 0.051 Uiso calc R 1 . .
C C21B 0.4835(5) 0.7380(6) 0.1730(2) 0.0296(10) Uani d . 1 . .
C C22B 0.3531(6) 0.8109(6) 0.2016(2) 0.0339(11) Uani d . 1 . .
H H22B 0.3775 0.8778 0.2384 0.041 Uiso calc R 1 . .
C C23B 0.1868(6) 0.7887(6) 0.1776(2) 0.0395(12) Uani d . 1 . .
H H23B 0.0974 0.8383 0.1981 0.047 Uiso calc R 1 . .
C C24B 0.1515(6) 0.6931(6) 0.1233(2) 0.0413(13) Uani d . 1 . .
H H24B 0.0376 0.6774 0.1064 0.050 Uiso calc R 1 . .
C C25B 0.2825(6) 0.6210(6) 0.0942(2) 0.0388(12) Uani d . 1 . .
H H25B 0.2574 0.5563 0.0570 0.047 Uiso calc R 1 . .
C C26B 0.4505(6) 0.6412(6) 0.1179(2) 0.0300(11) Uani d . 1 . .
C C27B 0.5867(6) 0.5579(6) 0.0850(2) 0.0389(12) Uani d . 1 . .
H H27C 0.5364 0.4627 0.0566 0.047 Uiso calc R 1 . .
H H27D 0.6708 0.5117 0.1120 0.047 Uiso calc R 1 . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Se Se -0.0929 2.2259 '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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
C11A Se1A Se2A . . 103.20(14) y
C21A Se2A Se1A . . 100.96(14) y
C12A C11A C16A . . 119.9(4) ?
C12A C11A Se1A . . 122.1(4) ?
C16A C11A Se1A . . 118.1(3) ?
C13A C12A C11A . . 119.6(5) ?
C13A C12A H12A . . 120.2 ?
C11A C12A H12A . . 120.2 ?
C14A C13A C12A . . 121.1(5) ?
C14A C13A H13A . . 119.5 ?
C12A C13A H13A . . 119.5 ?
C13A C14A C15A . . 119.3(5) ?
C13A C14A H14A . . 120.3 ?
C15A C14A H14A . . 120.3 ?
C14A C15A C16A . . 120.9(5) ?
C14A C15A H15A . . 119.5 ?
C16A C15A H15A . . 119.5 ?
C15A C16A C11A . . 119.2(5) ?
C15A C16A C17A . . 118.9(5) ?
C11A C16A C17A . . 121.9(4) ?
C16A C17A Cl1A . . 111.5(3) ?
C16A C17A H17A . . 109.3 ?
Cl1A C17A H17A . . 109.3 ?
C16A C17A H17B . . 109.3 ?
Cl1A C17A H17B . . 109.3 ?
H17A C17A H17B . . 108.0 ?
C22A C21A C26A . . 120.9(4) ?
C22A C21A Se2A . . 119.5(3) ?
C26A C21A Se2A . . 119.5(3) ?
C23A C22A C21A . . 119.8(5) ?
C23A C22A H22A . . 120.1 ?
C21A C22A H22A . . 120.1 ?
C22A C23A C24A . . 119.9(5) ?
C22A C23A H23A . . 120.0 ?
C24A C23A H23A . . 120.0 ?
C25A C24A C23A . . 120.4(5) ?
C25A C24A H24A . . 119.8 ?
C23A C24A H24A . . 119.8 ?
C24A C25A C26A . . 120.5(5) ?
C24A C25A H25A . . 119.7 ?
C26A C25A H25A . . 119.7 ?
C25A C26A C21A . . 118.4(4) ?
C25A C26A C27A . . 119.9(4) ?
C21A C26A C27A . . 121.7(4) ?
C26A C27A Cl2A . . 110.2(3) ?
C26A C27A H27A . . 109.6 ?
Cl2A C27A H27A . . 109.6 ?
C26A C27A H27B . . 109.6 ?
Cl2A C27A H27B . . 109.6 ?
H27A C27A H27B . . 108.1 ?
C11B Se1B Se2B . . 103.60(14) y
C21B Se2B Se1B . . 102.10(14) y
C16B C11B C12B . . 120.7(4) ?
C16B C11B Se1B . . 118.1(3) ?
C12B C11B Se1B . . 121.2(4) ?
C13B C12B C11B . . 118.8(5) ?
C13B C12B H12B . . 120.6 ?
C11B C12B H12B . . 120.6 ?
C14B C13B C12B . . 120.7(5) ?
C14B C13B H13B . . 119.7 ?
C12B C13B H13B . . 119.7 ?
C13B C14B C15B . . 120.3(5) ?
C13B C14B H14B . . 119.9 ?
C15B C14B H14B . . 119.9 ?
C14B C15B C16B . . 120.9(5) ?
C14B C15B H15B . . 119.6 ?
C16B C15B H15B . . 119.6 ?
C11B C16B C15B . . 118.6(4) ?
C11B C16B C17B . . 121.9(4) ?
C15B C16B C17B . . 119.5(5) ?
C16B C17B Cl1B . . 112.2(3) ?
C16B C17B H17C . . 109.2 ?
Cl1B C17B H17C . . 109.2 ?
C16B C17B H17D . . 109.2 ?
Cl1B C17B H17D . . 109.2 ?
H17C C17B H17D . . 107.9 ?
C22B C21B C26B . . 120.4(4) ?
C22B C21B Se2B . . 121.5(4) ?
C26B C21B Se2B . . 118.1(3) ?
C21B C22B C23B . . 121.0(5) ?
C21B C22B H22B . . 119.5 ?
C23B C22B H22B . . 119.5 ?
C22B C23B C24B . . 119.5(5) ?
C22B C23B H23B . . 120.3 ?
C24B C23B H23B . . 120.3 ?
C25B C24B C23B . . 119.7(5) ?
C25B C24B H24B . . 120.1 ?
C23B C24B H24B . . 120.1 ?
C24B C25B C26B . . 121.5(5) ?
C24B C25B H25B . . 119.2 ?
C26B C25B H25B . . 119.2 ?
C25B C26B C21B . . 117.9(4) ?
C25B C26B C27B . . 119.2(4) ?
C21B C26B C27B . . 122.9(4) ?
C26B C27B Cl2B . . 111.6(3) ?
C26B C27B H27C . . 109.3 ?
Cl2B C27B H27C . . 109.3 ?
C26B C27B H27D . . 109.3 ?
Cl2B C27B H27D . . 109.3 ?
H27C C27B H27D . . 108.0 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Se1A C11A . 1.937(4) y
Se1A Se2A . 2.3124(8) y
Se2A C21A . 1.944(4) y
Cl1A C17A . 1.819(5) ?
Cl2A C27A . 1.816(5) ?
C11A C12A . 1.391(6) ?
C11A C16A . 1.397(7) ?
C12A C13A . 1.389(7) ?
C12A H12A . 0.9500 ?
C13A C14A . 1.376(8) ?
C13A H13A . 0.9500 ?
C14A C15A . 1.383(7) ?
C14A H14A . 0.9500 ?
C15A C16A . 1.392(6) ?
C15A H15A . 0.9500 ?
C16A C17A . 1.494(7) ?
C17A H17A . 0.9900 ?
C17A H17B . 0.9900 ?
C21A C22A . 1.387(6) ?
C21A C26A . 1.397(6) ?
C22A C23A . 1.382(6) ?
C22A H22A . 0.9500 ?
C23A C24A . 1.385(7) ?
C23A H23A . 0.9500 ?
C24A C25A . 1.381(7) ?
C24A H24A . 0.9500 ?
C25A C26A . 1.396(6) ?
C25A H25A . 0.9500 ?
C26A C27A . 1.502(6) ?
C27A H27A . 0.9900 ?
C27A H27B . 0.9900 ?
Se1B C11B . 1.935(4) y
Se1B Se2B . 2.3140(8) y
Se2B C21B . 1.928(4) y
Cl1B C17B . 1.810(5) ?
Cl2B C27B . 1.813(5) ?
C11B C16B . 1.396(6) ?
C11B C12B . 1.402(6) ?
C12B C13B . 1.401(7) ?
C12B H12B . 0.9500 ?
C13B C14B . 1.368(7) ?
C13B H13B . 0.9500 ?
C14B C15B . 1.382(7) ?
C14B H14B . 0.9500 ?
C15B C16B . 1.398(6) ?
C15B H15B . 0.9500 ?
C16B C17B . 1.504(7) ?
C17B H17C . 0.9900 ?
C17B H17D . 0.9900 ?
C21B C22B . 1.372(6) ?
C21B C26B . 1.409(6) ?
C22B C23B . 1.382(6) ?
C22B H22B . 0.9500 ?
C23B C24B . 1.391(7) ?
C23B H23B . 0.9500 ?
C24B C25B . 1.381(7) ?
C24B H24B . 0.9500 ?
C25B C26B . 1.393(6) ?
C25B H25B . 0.9500 ?
C26B C27B . 1.491(6) ?
C27B H27C . 0.9900 ?
C27B H27D . 0.9900 ?
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_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
C11A Se1A Se2A C21A . . . . -90.15(19) y
Se2A Se1A C11A C12A . . . . -15.4(4) ?
Se2A Se1A C11A C16A . . . . 166.7(3) ?
C16A C11A C12A C13A . . . . 0.5(7) ?
Se1A C11A C12A C13A . . . . -177.3(4) ?
C11A C12A C13A C14A . . . . 0.0(8) ?
C12A C13A C14A C15A . . . . 0.3(8) ?
C13A C14A C15A C16A . . . . -1.0(8) ?
C14A C15A C16A C11A . . . . 1.4(7) ?
C14A C15A C16A C17A . . . . -177.1(4) ?
C12A C11A C16A C15A . . . . -1.2(7) ?
Se1A C11A C16A C15A . . . . 176.7(3) ?
C12A C11A C16A C17A . . . . 177.3(4) ?
Se1A C11A C16A C17A . . . . -4.9(6) ?
C15A C16A C17A Cl1A . . . . -102.3(5) ?
C11A C16A C17A Cl1A . . . . 79.3(5) ?
Se1A Se2A C21A C22A . . . . 42.9(4) ?
Se1A Se2A C21A C26A . . . . -136.5(3) ?
C26A C21A C22A C23A . . . . 0.3(7) ?
Se2A C21A C22A C23A . . . . -179.1(4) ?
C21A C22A C23A C24A . . . . 0.1(7) ?
C22A C23A C24A C25A . . . . -0.3(7) ?
C23A C24A C25A C26A . . . . 0.2(7) ?
C24A C25A C26A C21A . . . . 0.1(7) ?
C24A C25A C26A C27A . . . . 178.8(4) ?
C22A C21A C26A C25A . . . . -0.4(7) ?
Se2A C21A C26A C25A . . . . 179.0(3) ?
C22A C21A C26A C27A . . . . -179.0(4) ?
Se2A C21A C26A C27A . . . . 0.4(6) ?
C25A C26A C27A Cl2A . . . . 99.6(4) ?
C21A C26A C27A Cl2A . . . . -81.8(5) ?
C11B Se1B Se2B C21B . . . . -85.08(19) y
Se2B Se1B C11B C16B . . . . 158.7(3) ?
Se2B Se1B C11B C12B . . . . -22.5(4) ?
C16B C11B C12B C13B . . . . 0.2(7) ?
Se1B C11B C12B C13B . . . . -178.6(3) ?
C11B C12B C13B C14B . . . . 1.2(7) ?
C12B C13B C14B C15B . . . . -1.7(8) ?
C13B C14B C15B C16B . . . . 1.0(8) ?
C12B C11B C16B C15B . . . . -0.9(7) ?
Se1B C11B C16B C15B . . . . 177.9(3) ?
C12B C11B C16B C17B . . . . 177.9(4) ?
Se1B C11B C16B C17B . . . . -3.3(6) ?
C14B C15B C16B C11B . . . . 0.4(7) ?
C14B C15B C16B C17B . . . . -178.5(4) ?
C11B C16B C17B Cl1B . . . . 75.0(5) ?
C15B C16B C17B Cl1B . . . . -106.2(5) ?
Se1B Se2B C21B C22B . . . . 34.6(4) ?
Se1B Se2B C21B C26B . . . . -146.2(3) ?
C26B C21B C22B C23B . . . . 1.3(7) ?
Se2B C21B C22B C23B . . . . -179.6(4) ?
C21B C22B C23B C24B . . . . -1.0(7) ?
C22B C23B C24B C25B . . . . 0.3(7) ?
C23B C24B C25B C26B . . . . 0.2(7) ?
C24B C25B C26B C21B . . . . 0.0(7) ?
C24B C25B C26B C27B . . . . 178.9(4) ?
C22B C21B C26B C25B . . . . -0.7(7) ?
Se2B C21B C26B C25B . . . . -179.9(3) ?
C22B C21B C26B C27B . . . . -179.6(4) ?
Se2B C21B C26B C27B . . . . 1.3(6) ?
C25B C26B C27B Cl2B . . . . 99.3(4) ?
C21B C26B C27B Cl2B . . . . -81.8(5) ?
