#------------------------------------------------------------------------------
#$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/4/12/38/4123896.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_4123896
loop_
_publ_author_name
'Lee, Young Hoon'
'Park, Jihyun'
'Lee, Junseong'
'Lee, Sang Uck'
'Lee, Min Hyung'
_publ_section_title
;
 Iridium Cyclometalates with Tethered o-Carboranes: Impact of Restricted
 Rotation of o-Carborane on Phosphorescence Efficiency.
;
_journal_issue                   25
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              8018
_journal_page_last               8021
_journal_paper_doi               10.1021/jacs.5b04576
_journal_volume                  137
_journal_year                    2015
_chemical_formula_sum            'C36 H51 B20 Cl2 Ir N2 O2'
_chemical_formula_weight         1023.09
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 113.260(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.3531(3)
_cell_length_b                   27.7447(9)
_cell_length_c                   12.1851(3)
_cell_measurement_reflns_used    8689
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      23.70
_cell_measurement_theta_min      2.69
_cell_volume                     4458.0(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_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  0.0836
_diffrn_reflns_av_sigmaI/netI    0.0551
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       36
_diffrn_reflns_limit_k_min       -35
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            38139
_diffrn_reflns_theta_full        27.80
_diffrn_reflns_theta_max         27.80
_diffrn_reflns_theta_min         1.47
_exptl_absorpt_coefficient_mu    3.153
_exptl_absorpt_correction_T_max  0.8583
_exptl_absorpt_correction_T_min  0.6492
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.524
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'square plate'
_exptl_crystal_F_000             2032
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.338
_refine_diff_density_min         -2.039
_refine_diff_density_rms         0.178
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.101
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     301
_refine_ls_number_reflns         5262
_refine_ls_number_restraints     9
_refine_ls_restrained_S_all      1.102
_refine_ls_R_factor_all          0.0513
_refine_ls_R_factor_gt           0.0352
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0508P)²+7.1699P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0783
_refine_ls_wR_factor_ref         0.0960
_reflns_number_gt                4472
_reflns_number_total             5262
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja5b04576_si_002.cif
_cod_data_source_block           1c
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/current/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 3271 2015-04-21 07:52:19Z andrius 
;
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               4123896
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
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
Ir1 Ir 0.5000 0.282592(9) 0.7500 0.01502(8) Uani 1 2 d S . 4
N1 N 0.4568(3) 0.27717(13) 0.5692(3) 0.0178(7) Uani 1 1 d . A 4
O1 O 0.6120(2) 0.33882(11) 0.7767(3) 0.0209(7) Uani 1 1 d . B 4
C1 C 0.3548(3) 0.21483(16) 0.5941(4) 0.0182(8) Uani 1 1 d . A 4
C2 C 0.3984(3) 0.22986(15) 0.7145(4) 0.0161(9) Uani 1 1 d . A 4
C3 C 0.3746(3) 0.20289(16) 0.7976(4) 0.0186(9) Uani 1 1 d . A 4
H3 H 0.4009 0.2128 0.8788 0.022 Uiso 1 1 calc R A 4
C4 C 0.3134(3) 0.16200(16) 0.7642(4) 0.0204(9) Uani 1 1 d . A 4
C5 C 0.2675(3) 0.14956(17) 0.6441(4) 0.0220(9) Uani 1 1 d . A 4
H5 H 0.2225 0.1229 0.6200 0.026 Uiso 1 1 calc R A 4
C6 C 0.2877(4) 0.17620(17) 0.5596(4) 0.0221(9) Uani 1 1 d . A 4
H6 H 0.2553 0.1680 0.4774 0.027 Uiso 1 1 calc R A 4
C7 C 0.3887(3) 0.24192(16) 0.5135(4) 0.0182(9) Uani 1 1 d . A 4
C8 C 0.3603(4) 0.23358(18) 0.3921(4) 0.0232(10) Uani 1 1 d . A 4
H8 H 0.3116 0.2094 0.3529 0.028 Uiso 1 1 calc R A 4
C9 C 0.4029(4) 0.26040(19) 0.3287(4) 0.0263(10) Uani 1 1 d . A 4
H9 H 0.3846 0.2547 0.2459 0.032 Uiso 1 1 calc R A 4
C10 C 0.4731(4) 0.29592(18) 0.3879(4) 0.0256(10) Uani 1 1 d . A 4
H10 H 0.5039 0.3145 0.3459 0.031 Uiso 1 1 calc R A 4
C11 C 0.4977(4) 0.30407(17) 0.5070(4) 0.0208(9) Uani 1 1 d . A 4
H11 H 0.5443 0.3290 0.5464 0.025 Uiso 1 1 calc R A 4
C12 C 0.3028(3) 0.13062(16) 0.8597(4) 0.0216(9) Uani 1 1 d . A 4
C13 C 0.3903(4) 0.08602(17) 0.9174(4) 0.0247(10) Uani 1 1 d . A 4
C14 C 0.4744(4) 0.08261(17) 0.8705(4) 0.0247(10) Uani 1 1 d . A 4
H14A H 0.4827 0.1146 0.8397 0.030 Uiso 1 1 calc R A 4
H14B H 0.5388 0.0748 0.9382 0.030 Uiso 1 1 calc R A 4
C15 C 0.4568(4) 0.04557(17) 0.7725(5) 0.0302(11) Uani 1 1 d . . 4
H15A H 0.3918 0.0527 0.7049 0.036 Uiso 1 1 calc R . 4
H15B H 0.4514 0.0131 0.8034 0.036 Uiso 1 1 calc R . 4
C16 C 0.6882(4) 0.4151(2) 0.8119(5) 0.0385(13) Uani 1 1 d . B 4
H16A H 0.7129 0.4235 0.8967 0.058 Uiso 1 1 calc R B 4
H16B H 0.6688 0.4445 0.7636 0.058 Uiso 1 1 calc R B 4
H16C H 0.7420 0.3985 0.7962 0.058 Uiso 1 1 calc R B 4
C17 C 0.5970(5) 0.3822(2) 0.7795(5) 0.0366(13) Uani 1 1 d . B 4
C18 C 0.5000 0.4043(3) 0.7500 0.043(2) Uani 1 2 d S . 4
H18 H 0.5000 0.4386 0.7500 0.052 Uiso 1 2 calc SR . 4
B1 B 0.3963(5) 0.1359(2) 1.0032(5) 0.0287(12) Uani 1 1 d . A 4
H1 H 0.4593 0.1629 1.0286 0.034 Uiso 1 1 calc R A 4
B2 B 0.4160(5) 0.0775(2) 1.0660(5) 0.0315(13) Uani 1 1 d . A 4
H2 H 0.4914 0.0658 1.1339 0.038 Uiso 1 1 calc R A 4
B3 B 0.3370(5) 0.0372(2) 0.9557(6) 0.0295(13) Uani 1 1 d . A 4
H3A H 0.3604 -0.0009 0.9508 0.035 Uiso 1 1 calc R A 4
B4 B 0.2674(4) 0.07122(19) 0.8243(5) 0.0259(12) Uani 1 1 d . A 4
H4 H 0.2454 0.0557 0.7326 0.031 Uiso 1 1 calc R A 4
B5 B 0.3381(5) 0.1193(2) 1.1007(6) 0.0367(15) Uani 1 1 d . A 4
H5A H 0.3615 0.1353 1.1921 0.044 Uiso 1 1 calc R A 4
B6 B 0.3000(5) 0.0578(2) 1.0706(6) 0.0352(14) Uani 1 1 d . A 4
H6A H 0.2978 0.0331 1.1423 0.042 Uiso 1 1 calc R A 4
B7 B 0.2088(5) 0.0539(2) 0.9210(6) 0.0330(14) Uani 1 1 d . A 4
H7 H 0.1467 0.0264 0.8937 0.040 Uiso 1 1 calc R A 4
B8 B 0.1889(5) 0.1130(2) 0.8585(6) 0.0282(12) Uani 1 1 d . A 4
H8A H 0.1142 0.1249 0.7896 0.034 Uiso 1 1 calc R A 4
B9 B 0.2688(5) 0.1531(2) 0.9691(5) 0.0308(13) Uani 1 1 d . A 4
H9A H 0.2471 0.1917 0.9733 0.037 Uiso 1 1 calc R A 4
B10 B 0.2088(5) 0.1046(2) 1.0102(6) 0.0368(15) Uani 1 1 d . A 4
H10A H 0.1465 0.1108 1.0421 0.044 Uiso 1 1 calc R A 4
Cl1 Cl 0.4448(15) 0.4479(7) 0.485(3) 0.48(2) Uani 0.50 1 d PD . 2
C19 C 0.4664(13) 0.5032(8) 0.4426(18) 0.137(13) Uani 0.50 1 d PDU . 2
H19A H 0.4109 0.5263 0.4323 0.165 Uiso 0.50 1 calc PR . 2
H19B H 0.4974 0.5088 0.3841 0.165 Uiso 0.50 1 calc PR . 2
Cl2 Cl 0.5537(4) 0.5405(4) 0.5449(6) 0.124(3) Uani 0.50 1 d PD . 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'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ir Ir -1.4442 7.9887 '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
C2 Ir1 C2 85.3(2) 2_656 .
C2 Ir1 N1 93.72(16) 2_656 .
C2 Ir1 N1 80.03(16) . .
C2 Ir1 N1 80.03(16) 2_656 2_656
C2 Ir1 N1 93.72(16) . 2_656
N1 Ir1 N1 171.6(2) . 2_656
C2 Ir1 O1 175.83(14) 2_656 2_656
C2 Ir1 O1 93.45(15) . 2_656
N1 Ir1 O1 89.97(13) . 2_656
N1 Ir1 O1 96.10(13) 2_656 2_656
C2 Ir1 O1 93.45(15) 2_656 .
C2 Ir1 O1 175.83(14) . .
N1 Ir1 O1 96.10(13) . .
N1 Ir1 O1 89.97(13) 2_656 .
O1 Ir1 O1 88.08(16) 2_656 .
C11 N1 C7 120.2(4) . .
C11 N1 Ir1 123.3(3) . .
C7 N1 Ir1 116.3(3) . .
C17 O1 Ir1 125.6(4) . .
C6 C1 C2 120.8(4) . .
C6 C1 C7 124.5(4) . .
C2 C1 C7 114.7(4) . .
C3 C2 C1 117.2(4) . .
C3 C2 Ir1 126.9(3) . .
C1 C2 Ir1 115.4(3) . .
C4 C3 C2 121.8(4) . .
C5 C4 C3 119.4(4) . .
C5 C4 C12 121.3(4) . .
C3 C4 C12 119.3(4) . .
C6 C5 C4 119.9(4) . .
C5 C6 C1 120.6(4) . .
N1 C7 C8 120.1(4) . .
N1 C7 C1 113.4(4) . .
C8 C7 C1 126.4(4) . .
C9 C8 C7 119.9(5) . .
C8 C9 C10 118.9(4) . .
C11 C10 C9 119.8(4) . .
N1 C11 C10 121.0(4) . .
C4 C12 B8 123.3(4) . .
C4 C12 C13 117.1(3) . .
B8 C12 C13 110.1(3) . .
C4 C12 B9 122.5(4) . .
B8 C12 B9 62.7(3) . .
C13 C12 B9 109.6(4) . .
C4 C12 B4 117.8(4) . .
B8 C12 B4 62.4(3) . .
C13 C12 B4 60.5(3) . .
B9 C12 B4 113.4(4) . .
C4 C12 B1 117.0(4) . .
B8 C12 B1 113.0(4) . .
C13 C12 B1 59.7(3) . .
B9 C12 B1 62.0(3) . .
B4 C12 B1 111.4(4) . .
C14 C13 C12 116.9(4) . .
C14 C13 B3 123.9(4) . .
C12 C13 B3 110.5(4) . .
C14 C13 B2 120.9(4) . .
C12 C13 B2 110.6(4) . .
B3 C13 B2 62.3(3) . .
C14 C13 B1 114.9(4) . .
C12 C13 B1 61.2(3) . .
B3 C13 B1 113.1(4) . .
B2 C13 B1 62.0(3) . .
C14 C13 B4 119.5(4) . .
C12 C13 B4 60.4(3) . .
B3 C13 B4 62.6(3) . .
B2 C13 B4 113.4(4) . .
B1 C13 B4 112.6(4) . .
C15 C14 C13 115.2(4) . .
C14 C15 C15 111.9(4) . 2_656
O1 C17 C18 125.3(6) . .
O1 C17 C16 117.1(5) . .
C18 C17 C16 117.5(5) . .
C17 C18 C17 129.2(7) 2_656 .
C13 B1 C12 59.1(3) . .
C13 B1 B5 106.1(4) . .
C12 B1 B5 105.8(4) . .
C13 B1 B2 59.0(3) . .
C12 B1 B2 106.6(4) . .
B5 B1 B2 60.4(3) . .
C13 B1 B9 106.0(4) . .
C12 B1 B9 58.1(3) . .
B5 B1 B9 60.6(3) . .
B2 B1 B9 108.8(4) . .
C13 B2 B1 59.0(3) . .
C13 B2 B3 58.7(3) . .
B1 B2 B3 107.7(4) . .
C13 B2 B6 105.3(4) . .
B1 B2 B6 107.7(4) . .
B3 B2 B6 60.1(3) . .
C13 B2 B5 105.6(4) . .
B1 B2 B5 59.7(3) . .
B3 B2 B5 108.5(5) . .
B6 B2 B5 60.4(4) . .
C13 B3 B2 59.1(3) . .
C13 B3 B6 105.5(4) . .
B2 B3 B6 60.0(4) . .
C13 B3 B7 105.3(4) . .
B2 B3 B7 108.0(4) . .
B6 B3 B7 60.1(4) . .
C13 B3 B4 59.3(3) . .
B2 B3 B4 108.2(4) . .
B6 B3 B4 107.6(4) . .
B7 B3 B4 59.3(3) . .
C12 B4 C13 59.1(3) . .
C12 B4 B7 105.3(4) . .
C13 B4 B7 105.0(4) . .
C12 B4 B8 58.0(3) . .
C13 B4 B8 105.6(4) . .
B7 B4 B8 60.5(3) . .
C12 B4 B3 105.9(4) . .
C13 B4 B3 58.2(3) . .
B7 B4 B3 60.1(3) . .
B8 B4 B3 108.4(4) . .
B1 B5 B2 59.9(3) . .
B1 B5 B9 60.1(3) . .
B2 B5 B9 108.0(4) . .
B1 B5 B6 107.4(4) . .
B2 B5 B6 59.8(3) . .
B9 B5 B6 107.6(5) . .
B1 B5 B10 107.2(4) . .
B2 B5 B10 107.6(5) . .
B9 B5 B10 59.5(3) . .
B6 B5 B10 59.9(4) . .
B2 B6 B3 59.8(3) . .
B2 B6 B7 107.8(4) . .
B3 B6 B7 60.0(3) . .
B2 B6 B10 107.9(4) . .
B3 B6 B10 107.9(4) . .
B7 B6 B10 59.9(4) . .
B2 B6 B5 59.8(4) . .
B3 B6 B5 107.8(4) . .
B7 B6 B5 108.1(4) . .
B10 B6 B5 60.2(4) . .
B4 B7 B3 60.5(3) . .
B4 B7 B6 108.4(4) . .
B3 B7 B6 59.9(4) . .
B4 B7 B10 107.9(4) . .
B3 B7 B10 108.1(5) . .
B6 B7 B10 60.2(4) . .
B4 B7 B8 60.1(3) . .
B3 B7 B8 108.4(4) . .
B6 B7 B8 108.1(5) . .
B10 B7 B8 59.6(3) . .
C12 B8 B10 105.7(4) . .
C12 B8 B9 58.8(3) . .
B10 B8 B9 60.0(3) . .
C12 B8 B4 59.6(3) . .
B10 B8 B4 107.7(4) . .
B9 B8 B4 108.0(4) . .
C12 B8 B7 105.6(4) . .
B10 B8 B7 60.1(3) . .
B9 B8 B7 107.9(4) . .
B4 B8 B7 59.4(3) . .
C12 B9 B10 105.2(4) . .
C12 B9 B8 58.4(3) . .
B10 B9 B8 59.9(4) . .
C12 B9 B1 59.9(3) . .
B10 B9 B1 107.4(4) . .
B8 B9 B1 107.8(4) . .
C12 B9 B5 106.2(4) . .
B10 B9 B5 60.4(4) . .
B8 B9 B5 108.4(4) . .
B1 B9 B5 59.4(3) . .
B8 B10 B9 60.1(3) . .
B8 B10 B7 60.3(3) . .
B9 B10 B7 108.1(4) . .
B8 B10 B6 108.4(4) . .
B9 B10 B6 108.1(5) . .
B7 B10 B6 59.9(4) . .
B8 B10 B5 108.3(4) . .
B9 B10 B5 60.1(4) . .
B7 B10 B5 107.8(4) . .
B6 B10 B5 59.9(4) . .
Cl2 Cl1 C19 27(2) 5_666 .
Cl2 Cl1 C19 69(3) 5_666 5_666
C19 Cl1 C19 45.3(16) . 5_666
Cl2 C19 C19 82(2) 5_666 5_666
Cl2 C19 Cl1 10.2(11) 5_666 .
C19 C19 Cl1 73(2) 5_666 .
Cl2 C19 Cl2 128.5(16) 5_666 .
C19 C19 Cl2 46.9(12) 5_666 .
Cl1 C19 Cl2 119.7(14) . .
Cl2 C19 Cl1 143(2) 5_666 5_666
C19 C19 Cl1 61.7(10) 5_666 5_666
Cl1 C19 Cl1 134.7(16) . 5_666
Cl2 C19 Cl1 15.4(10) . 5_666
Cl1 Cl2 C19 143(3) 5_666 5_666
Cl1 Cl2 C19 95(3) 5_666 .
C19 Cl2 C19 51.5(17) 5_666 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ir1 C2 1.989(4) 2_656
Ir1 C2 1.989(4) .
Ir1 N1 2.045(4) .
Ir1 N1 2.045(4) 2_656
Ir1 O1 2.170(3) 2_656
Ir1 O1 2.170(3) .
N1 C11 1.353(5) .
N1 C7 1.360(6) .
O1 C17 1.225(6) .
C1 C6 1.391(6) .
C1 C2 1.411(6) .
C1 C7 1.464(6) .
C2 C3 1.406(6) .
C3 C4 1.393(6) .
C4 C5 1.391(6) .
C4 C12 1.508(6) .
C5 C6 1.388(6) .
C7 C8 1.390(6) .
C8 C9 1.377(6) .
C9 C10 1.390(7) .
C10 C11 1.370(6) .
C12 B8 1.701(7) .
C12 C13 1.705(6) .
C12 B9 1.708(7) .
C12 B4 1.728(7) .
C12 B1 1.740(8) .
C13 C14 1.529(6) .
C13 B3 1.708(7) .
C13 B2 1.715(7) .
C13 B1 1.715(8) .
C13 B4 1.729(8) .
C14 C15 1.519(7) .
C15 C15 1.541(9) 2_656
C16 C17 1.516(8) .
C17 C18 1.431(7) .
C18 C17 1.431(7) 2_656
B1 B5 1.762(8) .
B1 B2 1.766(8) .
B1 B9 1.775(9) .
B2 B3 1.771(9) .
B2 B6 1.774(9) .
B2 B5 1.775(9) .
B3 B6 1.776(8) .
B3 B7 1.778(8) .
B3 B4 1.785(8) .
B4 B7 1.763(8) .
B4 B8 1.777(8) .
B5 B9 1.784(9) .
B5 B6 1.785(9) .
B5 B10 1.791(10) .
B6 B7 1.779(10) .
B6 B10 1.784(9) .
B7 B10 1.779(9) .
B7 B8 1.784(8) .
B8 B10 1.771(9) .
B8 B9 1.775(9) .
B9 B10 1.774(8) .
Cl1 Cl2 0.49(3) 5_666
Cl1 C19 1.686(18) .
Cl1 C19 1.83(2) 5_666
C19 Cl2 1.27(3) 5_666
C19 C19 1.36(4) 5_666
C19 Cl2 1.721(15) .
C19 Cl1 1.83(2) 5_666
Cl2 Cl1 0.49(3) 5_666
Cl2 C19 1.27(3) 5_666
