#------------------------------------------------------------------------------
#$Date: 2020-09-06 12:32:59 +0300 (Sun, 06 Sep 2020) $
#$Revision: 256063 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/48/7704855.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_7704855
loop_
_publ_author_name
'Li, Jianzhe'
'Yang, Dawei'
'Tong, Peng'
'Wang, Baomin'
'Qu, Jingping'
_publ_section_title
;
 Facile C-N coupling of coordinated ammonia and labile carbonyl or
 acetonitrile promoted by a thiolate-bridged dicobalt reaction scaffold.
;
_journal_issue                   32
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              11260
_journal_page_last               11267
_journal_paper_doi               10.1039/d0dt02133d
_journal_volume                  49
_journal_year                    2020
_chemical_formula_sum            'C26 H47 Cl4 Co2 I2 N S2'
_chemical_formula_weight         951.22
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2020-07-10 deposited with the CCDC.	2020-07-15 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 93.8173(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.1666(5)
_cell_length_b                   15.2586(6)
_cell_length_c                   19.7131(7)
_cell_measurement_reflns_used    9223
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      34.8709
_cell_measurement_theta_min      2.6697
_cell_volume                     3651.5(2)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0278
_diffrn_reflns_av_unetI/netI     0.0118
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            76910
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        24.999
_diffrn_reflns_theta_max         24.999
_diffrn_reflns_theta_min         2.464
_exptl_absorpt_coefficient_mu    3.024
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.730
_exptl_crystal_description       block
_exptl_crystal_F_000             1880
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.240
_exptl_crystal_size_min          0.230
_exptl_transmission_factor_max   0.7469
_exptl_transmission_factor_min   0.5911
_refine_diff_density_max         0.958
_refine_diff_density_min         -1.614
_refine_diff_density_rms         0.107
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.062
_refine_ls_hydrogen_treatment    'riding mode'
_refine_ls_matrix_type           full
_refine_ls_number_parameters     346
_refine_ls_number_reflns         6413
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.062
_refine_ls_R_factor_all          0.0341
_refine_ls_R_factor_gt           0.0305
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0446P)²+12.9362P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0852
_refine_ls_wR_factor_ref         0.0878
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5928
_reflns_number_total             6413
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0dt02133d2.cif
_cod_data_source_block           1_CCDC2
_cod_depositor_comments
'Adding full bibliography for 7704853--7704856.cif.'
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7704855
_shelx_shelxl_version_number     2014/7
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.464
_shelx_estimated_absorpt_t_max   0.543
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
I1 I 0.23073(2) 0.41574(2) 0.20876(2) 0.02928(9) Uani 1 1 d . . . . .
I2 I 0.08984(2) 0.33182(2) -0.05981(2) 0.02965(9) Uani 1 1 d . . . . .
Co2 Co -0.12180(4) 0.35898(3) 0.15455(2) 0.01855(12) Uani 1 1 d . . . . .
Co1 Co 0.08694(4) 0.33582(3) 0.27750(2) 0.01740(12) Uani 1 1 d . . . . .
S2 S 0.00243(7) 0.25734(6) 0.19168(4) 0.01868(18) Uani 1 1 d . . . . .
S1 S -0.05927(7) 0.42590(6) 0.25207(4) 0.01963(18) Uani 1 1 d . . . . .
Cl2 Cl 0.47082(14) 0.22557(10) 0.06296(9) 0.0676(4) Uani 1 1 d . . . . .
Cl1 Cl 0.45028(14) 0.40983(10) 0.03447(11) 0.0761(5) Uani 1 1 d . . . . .
N1 N -0.0183(3) 0.4227(2) 0.09921(18) 0.0219(6) Uani 1 1 d . . . . .
C23 C 0.0911(3) 0.2323(3) 0.12351(19) 0.0241(8) Uani 1 1 d . . . . .
H23A H 0.0462 0.2066 0.0848 0.029 Uiso 1 1 calc R U . . .
H23B H 0.1242 0.2873 0.1077 0.029 Uiso 1 1 calc R U . . .
C1 C 0.1059(3) 0.2205(3) 0.33687(19) 0.0267(8) Uani 1 1 d . . . . .
C5 C 0.0233(3) 0.2773(3) 0.36061(18) 0.0240(8) Uani 1 1 d . . . . .
C14 C -0.2438(3) 0.3777(3) 0.0756(2) 0.0278(8) Uani 1 1 d . . . . .
C4 C 0.0780(3) 0.3575(3) 0.38282(18) 0.0269(8) Uani 1 1 d . . . . .
C2 C 0.2063(3) 0.2658(3) 0.3394(2) 0.0296(9) Uani 1 1 d . . . . .
C3 C 0.1892(3) 0.3509(3) 0.36828(19) 0.0299(9) Uani 1 1 d . . . . .
C21 C -0.0195(3) 0.5378(2) 0.2310(2) 0.0245(8) Uani 1 1 d . . . . .
H21A H 0.0346 0.5357 0.1956 0.029 Uiso 1 1 calc R U . . .
H21B H -0.0852 0.5699 0.2120 0.029 Uiso 1 1 calc R U . . .
C24 C 0.1826(4) 0.1685(3) 0.1463(2) 0.0349(10) Uani 1 1 d . . . . .
H24A H 0.2284 0.1568 0.1082 0.052 Uiso 1 1 calc R U . . .
H24B H 0.2282 0.1942 0.1840 0.052 Uiso 1 1 calc R U . . .
H24C H 0.1502 0.1136 0.1611 0.052 Uiso 1 1 calc R U . . .
C13 C -0.2764(3) 0.4161(3) 0.1369(2) 0.0301(9) Uani 1 1 d . . . . .
C22 C 0.0304(4) 0.5869(3) 0.2924(2) 0.0317(9) Uani 1 1 d . . . . .
H22A H 0.0505 0.6463 0.2788 0.048 Uiso 1 1 calc R U . . .
H22B H -0.0234 0.5901 0.3272 0.048 Uiso 1 1 calc R U . . .
H22C H 0.0964 0.5560 0.3108 0.048 Uiso 1 1 calc R U . . .
C10 C -0.0942(4) 0.2540(3) 0.3685(2) 0.0355(10) Uani 1 1 d . . . . .
H10A H -0.1330 0.3048 0.3856 0.053 Uiso 1 1 calc R U . . .
H10B H -0.1290 0.2365 0.3243 0.053 Uiso 1 1 calc R U . . .
H10C H -0.0978 0.2053 0.4007 0.053 Uiso 1 1 calc R U . . .
C15 C -0.2249(3) 0.2868(3) 0.0875(2) 0.0283(9) Uani 1 1 d . . . . .
C12 C -0.2831(3) 0.3476(3) 0.1860(2) 0.0330(9) Uani 1 1 d . . . . .
C11 C -0.2515(3) 0.2678(3) 0.1557(2) 0.0311(9) Uani 1 1 d . . . . .
C19 C -0.2329(4) 0.4232(3) 0.0094(2) 0.0366(10) Uani 1 1 d . . . . .
H19A H -0.2091 0.3811 -0.0242 0.055 Uiso 1 1 calc R U . . .
H19B H -0.3042 0.4482 -0.0065 0.055 Uiso 1 1 calc R U . . .
H19C H -0.1782 0.4702 0.0155 0.055 Uiso 1 1 calc R U . . .
C17 C -0.3259(4) 0.3581(4) 0.2548(3) 0.0483(13) Uani 1 1 d . . . . .
H17A H -0.3413 0.4201 0.2629 0.072 Uiso 1 1 calc R U . . .
H17B H -0.3939 0.3241 0.2573 0.072 Uiso 1 1 calc R U . . .
H17C H -0.2707 0.3370 0.2895 0.072 Uiso 1 1 calc R U . . .
C20 C -0.1957(4) 0.2215(3) 0.0351(2) 0.0397(11) Uani 1 1 d . . . . .
H20A H -0.1872 0.1635 0.0562 0.060 Uiso 1 1 calc R U . . .
H20B H -0.2545 0.2195 -0.0013 0.060 Uiso 1 1 calc R U . . .
H20C H -0.1264 0.2388 0.0163 0.060 Uiso 1 1 calc R U . . .
C8 C 0.2779(4) 0.4168(3) 0.3856(2) 0.0438(12) Uani 1 1 d . . . . .
H8A H 0.3477 0.3957 0.3696 0.066 Uiso 1 1 calc R U . . .
H8B H 0.2583 0.4727 0.3636 0.066 Uiso 1 1 calc R U . . .
H8C H 0.2857 0.4250 0.4350 0.066 Uiso 1 1 calc R U . . .
C9 C 0.0261(4) 0.4306(3) 0.4197(2) 0.0402(11) Uani 1 1 d . . . . .
H9A H -0.0525 0.4184 0.4228 0.060 Uiso 1 1 calc R U . . .
H9B H 0.0618 0.4358 0.4656 0.060 Uiso 1 1 calc R U . . .
H9C H 0.0350 0.4856 0.3950 0.060 Uiso 1 1 calc R U . . .
C26 C 0.3810(4) 0.3158(3) 0.0577(3) 0.0444(11) Uani 1 1 d . . . . .
H26A H 0.3193 0.3037 0.0236 0.053 Uiso 1 1 calc R U . . .
H26B H 0.3498 0.3252 0.1022 0.053 Uiso 1 1 calc R U . . .
C18 C -0.3097(4) 0.5099(3) 0.1466(3) 0.0418(11) Uani 1 1 d . . . . .
H18A H -0.3282 0.5189 0.1938 0.063 Uiso 1 1 calc R U . . .
H18B H -0.2486 0.5486 0.1366 0.063 Uiso 1 1 calc R U . . .
H18C H -0.3741 0.5235 0.1159 0.063 Uiso 1 1 calc R U . . .
C7 C 0.3161(4) 0.2295(4) 0.3229(3) 0.0454(12) Uani 1 1 d . . . . .
H7A H 0.3723 0.2753 0.3289 0.068 Uiso 1 1 calc R U . . .
H7B H 0.3356 0.1803 0.3534 0.068 Uiso 1 1 calc R U . . .
H7C H 0.3120 0.2090 0.2757 0.068 Uiso 1 1 calc R U . . .
C16 C -0.2523(4) 0.1786(3) 0.1866(3) 0.0462(12) Uani 1 1 d . . . . .
H16A H -0.2264 0.1357 0.1544 0.069 Uiso 1 1 calc R U . . .
H16B H -0.2037 0.1779 0.2283 0.069 Uiso 1 1 calc R U . . .
H16C H -0.3275 0.1638 0.1976 0.069 Uiso 1 1 calc R U . . .
C6 C 0.0863(4) 0.1268(3) 0.3174(2) 0.0365(10) Uani 1 1 d . . . . .
H6A H 0.0082 0.1127 0.3202 0.055 Uiso 1 1 calc R U . . .
H6B H 0.1072 0.1174 0.2708 0.055 Uiso 1 1 calc R U . . .
H6C H 0.1308 0.0888 0.3485 0.055 Uiso 1 1 calc R U . . .
Cl4 Cl 0.74267(15) 0.43313(15) 0.46064(10) 0.0876(6) Uani 1 1 d . . . . .
Cl3 Cl 0.54671(14) 0.50565(11) 0.39247(14) 0.0944(7) Uani 1 1 d . . . . .
C25 C 0.6040(6) 0.4192(4) 0.4413(5) 0.087(3) Uani 1 1 d . . . . .
H25A H 0.5659 0.4147 0.4840 0.104 Uiso 1 1 calc R U . . .
H25B H 0.5919 0.3636 0.4160 0.104 Uiso 1 1 calc R U . . .
H103 H -0.008(3) 0.398(3) 0.064(2) 0.016(10) Uiso 1 1 d . . . . .
H102 H 0.043(4) 0.429(3) 0.122(2) 0.024(11) Uiso 1 1 d . . . . .
H101 H -0.039(4) 0.477(4) 0.090(2) 0.035(13) Uiso 1 1 d . . . . .
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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
I I -0.4742 1.8119 '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
N1 Co2 C15 106.84(16) . . ?
N1 Co2 C13 107.69(16) . . ?
C15 Co2 C13 67.36(16) . . ?
N1 Co2 C14 88.20(16) . . ?
C15 Co2 C14 39.85(16) . . ?
C13 Co2 C14 39.86(16) . . ?
N1 Co2 C12 147.60(17) . . ?
C15 Co2 C12 66.90(17) . . ?
C13 Co2 C12 39.95(18) . . ?
C14 Co2 C12 66.55(17) . . ?
N1 Co2 C11 146.80(16) . . ?
C15 Co2 C11 40.06(17) . . ?
C13 Co2 C11 66.97(17) . . ?
C14 Co2 C11 66.66(17) . . ?
C12 Co2 C11 39.43(17) . . ?
N1 Co2 S2 94.58(10) . . ?
C15 Co2 S2 101.85(11) . . ?
C13 Co2 S2 157.16(13) . . ?
C14 Co2 S2 139.53(11) . . ?
C12 Co2 S2 117.78(13) . . ?
C11 Co2 S2 91.65(12) . . ?
N1 Co2 S1 93.24(11) . . ?
C15 Co2 S1 159.14(12) . . ?
C13 Co2 S1 101.63(12) . . ?
C14 Co2 S1 138.61(11) . . ?
C12 Co2 S1 93.14(12) . . ?
C11 Co2 S1 119.94(12) . . ?
S2 Co2 S1 81.62(3) . . ?
C5 Co1 C4 40.51(15) . . ?
C5 Co1 C1 39.96(16) . . ?
C4 Co1 C1 66.26(15) . . ?
C5 Co1 C2 66.66(16) . . ?
C4 Co1 C2 65.90(16) . . ?
C1 Co1 C2 38.63(16) . . ?
C5 Co1 C3 66.85(15) . . ?
C4 Co1 C3 38.75(17) . . ?
C1 Co1 C3 65.68(15) . . ?
C2 Co1 C3 39.62(17) . . ?
C5 Co1 S2 100.91(11) . . ?
C4 Co1 S2 140.08(11) . . ?
C1 Co1 S2 90.05(11) . . ?
C2 Co1 S2 115.02(12) . . ?
C3 Co1 S2 154.04(12) . . ?
C5 Co1 S1 96.16(12) . . ?
C4 Co1 S1 91.80(12) . . ?
C1 Co1 S1 132.68(12) . . ?
C2 Co1 S1 157.68(12) . . ?
C3 Co1 S1 121.70(13) . . ?
S2 Co1 S1 81.11(3) . . ?
C5 Co1 I1 157.33(11) . . ?
C4 Co1 I1 121.45(11) . . ?
C1 Co1 I1 128.94(11) . . ?
C2 Co1 I1 94.44(11) . . ?
C3 Co1 I1 90.66(11) . . ?
S2 Co1 I1 98.46(3) . . ?
S1 Co1 I1 98.38(3) . . ?
C23 S2 Co2 108.82(13) . . ?
C23 S2 Co1 113.65(13) . . ?
Co2 S2 Co1 98.06(4) . . ?
C21 S1 Co2 107.89(13) . . ?
C21 S1 Co1 113.47(13) . . ?
Co2 S1 Co1 97.36(4) . . ?
C24 C23 S2 112.0(3) . . ?
C2 C1 C5 108.6(4) . . ?
C2 C1 C6 127.1(4) . . ?
C5 C1 C6 124.1(4) . . ?
C2 C1 Co1 70.9(2) . . ?
C5 C1 Co1 67.9(2) . . ?
C6 C1 Co1 130.0(3) . . ?
C1 C5 C4 107.1(3) . . ?
C1 C5 C10 126.0(4) . . ?
C4 C5 C10 126.5(4) . . ?
C1 C5 Co1 72.1(2) . . ?
C4 C5 Co1 71.6(2) . . ?
C10 C5 Co1 126.8(3) . . ?
C13 C14 C15 108.2(4) . . ?
C13 C14 C19 126.7(4) . . ?
C15 C14 C19 125.2(4) . . ?
C13 C14 Co2 69.5(2) . . ?
C15 C14 Co2 69.3(2) . . ?
C19 C14 Co2 127.8(3) . . ?
C3 C4 C5 107.9(4) . . ?
C3 C4 C9 126.6(4) . . ?
C5 C4 C9 125.3(4) . . ?
C3 C4 Co1 71.0(2) . . ?
C5 C4 Co1 67.8(2) . . ?
C9 C4 Co1 130.2(3) . . ?
C1 C2 C3 108.1(4) . . ?
C1 C2 C7 126.6(4) . . ?
C3 C2 C7 125.0(4) . . ?
C1 C2 Co1 70.5(2) . . ?
C3 C2 Co1 70.2(2) . . ?
C7 C2 Co1 130.3(3) . . ?
C4 C3 C2 108.2(3) . . ?
C4 C3 C8 126.5(4) . . ?
C2 C3 C8 125.1(4) . . ?
C4 C3 Co1 70.2(2) . . ?
C2 C3 Co1 70.1(2) . . ?
C8 C3 Co1 129.7(3) . . ?
C22 C21 S1 112.2(3) . . ?
C14 C13 C12 107.7(4) . . ?
C14 C13 C18 126.3(4) . . ?
C12 C13 C18 125.6(4) . . ?
C14 C13 Co2 70.7(2) . . ?
C12 C13 Co2 70.9(2) . . ?
C18 C13 Co2 128.7(3) . . ?
C14 C15 C11 107.9(4) . . ?
C14 C15 C20 125.4(4) . . ?
C11 C15 C20 126.3(4) . . ?
C14 C15 Co2 70.9(2) . . ?
C11 C15 Co2 71.0(2) . . ?
C20 C15 Co2 129.2(3) . . ?
C11 C12 C13 108.3(4) . . ?
C11 C12 C17 126.5(5) . . ?
C13 C12 C17 125.0(4) . . ?
C11 C12 Co2 70.3(2) . . ?
C13 C12 Co2 69.2(2) . . ?
C17 C12 Co2 130.3(3) . . ?
C12 C11 C15 107.8(4) . . ?
C12 C11 C16 126.9(4) . . ?
C15 C11 C16 125.2(4) . . ?
C12 C11 Co2 70.3(2) . . ?
C15 C11 Co2 68.9(2) . . ?
C16 C11 Co2 129.3(3) . . ?
Cl1 C26 Cl2 110.5(3) . . ?
Cl4 C25 Cl3 112.2(4) . . ?
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
I1 Co1 2.5883(5) . ?
Co2 N1 1.976(3) . ?
Co2 C15 2.077(4) . ?
Co2 C13 2.082(4) . ?
Co2 C14 2.098(4) . ?
Co2 C12 2.104(4) . ?
Co2 C11 2.105(4) . ?
Co2 S2 2.2534(10) . ?
Co2 S1 2.2633(10) . ?
Co1 C5 2.061(4) . ?
Co1 C4 2.112(4) . ?
Co1 C1 2.117(4) . ?
Co1 C2 2.122(4) . ?
Co1 C3 2.123(4) . ?
Co1 S2 2.2631(10) . ?
Co1 S1 2.2773(10) . ?
S2 C23 1.819(4) . ?
S1 C21 1.830(4) . ?
Cl2 C26 1.757(5) . ?
Cl1 C26 1.741(5) . ?
C23 C24 1.523(5) . ?
C1 C2 1.402(6) . ?
C1 C5 1.429(6) . ?
C1 C6 1.496(6) . ?
C5 C4 1.446(5) . ?
C5 C10 1.492(6) . ?
C14 C13 1.425(6) . ?
C14 C15 1.423(6) . ?
C14 C19 1.491(6) . ?
C4 C3 1.405(6) . ?
C4 C9 1.495(6) . ?
C2 C3 1.438(6) . ?
C2 C7 1.501(6) . ?
C3 C8 1.497(6) . ?
C21 C22 1.515(5) . ?
C13 C12 1.430(6) . ?
C13 C18 1.504(6) . ?
C15 C11 1.432(6) . ?
C15 C20 1.494(6) . ?
C12 C11 1.420(6) . ?
C12 C17 1.495(6) . ?
C11 C16 1.492(6) . ?
Cl4 C25 1.718(7) . ?
Cl3 C25 1.750(8) . ?
