#------------------------------------------------------------------------------
#$Date: 2020-12-09 05:23:43 +0200 (Wed, 09 Dec 2020) $
#$Revision: 259703 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/59/7705901.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_7705901
loop_
_publ_author_name
'Wu, Chen-Ming'
'Tsai, Jae-En'
'Lee, Gene-Hsiang'
'Yang, En-Che'
_publ_section_title
;
 Slow magnetization relaxation in a tetrahedrally coordinated mononuclear
 Co(II) complex exclusively ligated with phenanthroline ligands.
;
_journal_issue                   46
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              16813
_journal_page_last               16820
_journal_paper_doi               10.1039/d0dt03481a
_journal_volume                  49
_journal_year                    2020
_chemical_formula_sum            'C48 H32 Cl2 Co N4 O8'
_chemical_formula_weight         922.61
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_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
_audit_update_record
;
2020-02-27 deposited with the CCDC.	2020-10-28 downloaded from the CCDC.
;
_cell_angle_alpha                88.1321(11)
_cell_angle_beta                 89.0043(11)
_cell_angle_gamma                79.0659(10)
_cell_formula_units_Z            2
_cell_length_a                   7.8409(4)
_cell_length_b                   12.8630(6)
_cell_length_c                   20.4373(10)
_cell_measurement_reflns_used    6047
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      25.03
_cell_measurement_theta_min      2.53
_cell_volume                     2022.63(17)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      200(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'BRUKER SMART APEXCCD area detector'
_diffrn_measurement_method       'omega 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  0.0311
_diffrn_reflns_av_sigmaI/netI    0.0392
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            26412
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         1.00
_exptl_absorpt_coefficient_mu    0.621
_exptl_absorpt_correction_T_max  0.9127
_exptl_absorpt_correction_T_min  0.8121
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 2001)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.515
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             946
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.717
_refine_diff_density_min         -0.381
_refine_diff_density_rms         0.061
_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     568
_refine_ls_number_reflns         9268
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.042
_refine_ls_R_factor_all          0.0595
_refine_ls_R_factor_gt           0.0480
_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)+(0.0564P)²+1.1039P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1153
_refine_ls_wR_factor_ref         0.1225
_reflns_number_gt                7669
_reflns_number_total             9268
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            d0dt03481a2.cif
_cod_data_source_block           ic16900
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Triclinic' was changed to
'triclinic' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

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

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7705901
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
Co Co 0.58762(4) 0.74499(2) 0.254611(14) 0.02731(9) Uani 1 1 d . . .
N1 N 0.7124(2) 0.65024(14) 0.32651(9) 0.0271(4) Uani 1 1 d . . .
N2 N 0.4097(2) 0.79330(14) 0.32552(9) 0.0275(4) Uani 1 1 d . . .
N3 N 0.6386(2) 0.86913(15) 0.20011(9) 0.0311(4) Uani 1 1 d . . .
N4 N 0.5844(2) 0.67758(14) 0.16698(9) 0.0285(4) Uani 1 1 d . . .
C1 C 0.8559(3) 0.57502(18) 0.32424(11) 0.0304(5) Uani 1 1 d . . .
C2 C 0.9099(3) 0.51055(19) 0.38001(12) 0.0368(5) Uani 1 1 d . . .
H2 H 1.0107 0.4565 0.3777 0.044 Uiso 1 1 calc R . .
C3 C 0.8182(3) 0.5254(2) 0.43717(12) 0.0388(6) Uani 1 1 d . . .
H3 H 0.8564 0.4825 0.4748 0.047 Uiso 1 1 calc R . .
C4 C 0.6675(3) 0.60376(19) 0.44075(11) 0.0338(5) Uani 1 1 d . . .
C5 C 0.5647(4) 0.6249(2) 0.49901(12) 0.0416(6) Uani 1 1 d . . .
H5 H 0.5982 0.5840 0.5378 0.050 Uiso 1 1 calc R . .
C6 C 0.4217(3) 0.7016(2) 0.50009(12) 0.0409(6) Uani 1 1 d . . .
H6 H 0.3565 0.7146 0.5396 0.049 Uiso 1 1 calc R . .
C7 C 0.3674(3) 0.7633(2) 0.44216(11) 0.0340(5) Uani 1 1 d . . .
C8 C 0.2239(3) 0.8477(2) 0.44042(12) 0.0379(5) Uani 1 1 d . . .
H8 H 0.1583 0.8664 0.4792 0.045 Uiso 1 1 calc R . .
C9 C 0.1792(3) 0.90231(19) 0.38326(12) 0.0350(5) Uani 1 1 d . . .
H9 H 0.0856 0.9613 0.3827 0.042 Uiso 1 1 calc R . .
C10 C 0.2706(3) 0.87211(17) 0.32500(11) 0.0300(5) Uani 1 1 d . . .
C11 C 0.6177(3) 0.66329(18) 0.38350(10) 0.0287(5) Uani 1 1 d . . .
C12 C 0.4608(3) 0.74174(17) 0.38351(10) 0.0284(5) Uani 1 1 d . . .
C13 C 0.9513(3) 0.55865(18) 0.26158(11) 0.0311(5) Uani 1 1 d . . .
C14 C 1.0206(3) 0.4560(2) 0.24223(13) 0.0387(6) Uani 1 1 d . . .
H14 H 1.0160 0.3974 0.2713 0.046 Uiso 1 1 calc R . .
C15 C 1.0953(4) 0.4394(2) 0.18133(14) 0.0468(6) Uani 1 1 d . . .
H15 H 1.1404 0.3692 0.1683 0.056 Uiso 1 1 calc R . .
C16 C 1.1056(4) 0.5239(2) 0.13879(14) 0.0485(7) Uani 1 1 d . . .
H16 H 1.1546 0.5114 0.0963 0.058 Uiso 1 1 calc R . .
C17 C 1.0448(3) 0.6262(2) 0.15803(12) 0.0405(6) Uani 1 1 d . . .
H17 H 1.0552 0.6844 0.1294 0.049 Uiso 1 1 calc R . .
C18 C 0.9689(3) 0.64356(19) 0.21917(11) 0.0339(5) Uani 1 1 d . . .
H18 H 0.9281 0.7140 0.2326 0.041 Uiso 1 1 calc R . .
C19 C 0.2144(3) 0.92549(19) 0.26199(11) 0.0325(5) Uani 1 1 d . . .
C20 C 0.2188(3) 0.8684(2) 0.20498(12) 0.0384(5) Uani 1 1 d . . .
H20 H 0.2576 0.7937 0.2067 0.046 Uiso 1 1 calc R . .
C21 C 0.1675(4) 0.9192(2) 0.14598(14) 0.0503(7) Uani 1 1 d . . .
H21 H 0.1712 0.8797 0.1073 0.060 Uiso 1 1 calc R . .
C22 C 0.1108(4) 1.0274(3) 0.14338(15) 0.0566(8) Uani 1 1 d . . .
H22 H 0.0761 1.0626 0.1028 0.068 Uiso 1 1 calc R . .
C23 C 0.1042(4) 1.0847(2) 0.19945(16) 0.0541(7) Uani 1 1 d . . .
H23 H 0.0650 1.1592 0.1973 0.065 Uiso 1 1 calc R . .
C24 C 0.1540(3) 1.0347(2) 0.25883(14) 0.0423(6) Uani 1 1 d . . .
H24 H 0.1470 1.0747 0.2974 0.051 Uiso 1 1 calc R . .
C25 C 0.6514(3) 0.96602(18) 0.21882(13) 0.0368(5) Uani 1 1 d . . .
C26 C 0.6609(4) 1.0472(2) 0.17180(15) 0.0515(7) Uani 1 1 d . . .
H26 H 0.6630 1.1168 0.1854 0.062 Uiso 1 1 calc R . .
C27 C 0.6672(4) 1.0260(2) 0.10687(15) 0.0560(8) Uani 1 1 d . . .
H27 H 0.6769 1.0806 0.0754 0.067 Uiso 1 1 calc R . .
C28 C 0.6596(4) 0.9239(2) 0.08621(13) 0.0446(6) Uani 1 1 d . . .
C29 C 0.6716(4) 0.8932(3) 0.01968(14) 0.0557(8) Uani 1 1 d . . .
H29 H 0.6862 0.9439 -0.0138 0.067 Uiso 1 1 calc R . .
C30 C 0.6626(4) 0.7937(3) 0.00332(13) 0.0535(7) Uani 1 1 d . . .
H30 H 0.6740 0.7749 -0.0413 0.064 Uiso 1 1 calc R . .
C31 C 0.6361(3) 0.7159(2) 0.05226(12) 0.0407(6) Uani 1 1 d . . .
C32 C 0.6297(4) 0.6105(2) 0.03930(12) 0.0468(7) Uani 1 1 d . . .
H32 H 0.6445 0.5867 -0.0043 0.056 Uiso 1 1 calc R . .
C33 C 0.6023(4) 0.5417(2) 0.08913(12) 0.0414(6) Uani 1 1 d . . .
H33 H 0.6007 0.4698 0.0803 0.050 Uiso 1 1 calc R . .
C34 C 0.5766(3) 0.57760(18) 0.15346(11) 0.0319(5) Uani 1 1 d . . .
C35 C 0.6386(3) 0.84883(19) 0.13515(11) 0.0337(5) Uani 1 1 d . . .
C36 C 0.6180(3) 0.74496(19) 0.11771(11) 0.0325(5) Uani 1 1 d . . .
C37 C 0.6552(3) 0.98120(18) 0.28998(13) 0.0360(5) Uani 1 1 d . . .
C38 C 0.5523(3) 1.0689(2) 0.31884(15) 0.0460(7) Uani 1 1 d . . .
H38 H 0.4859 1.1232 0.2922 0.055 Uiso 1 1 calc R . .
C39 C 0.5473(4) 1.0764(2) 0.38605(16) 0.0532(7) Uani 1 1 d . . .
H39 H 0.4762 1.1358 0.4055 0.064 Uiso 1 1 calc R . .
C40 C 0.6445(4) 0.9988(2) 0.42534(14) 0.0482(7) Uani 1 1 d . . .
H40 H 0.6394 1.0046 0.4716 0.058 Uiso 1 1 calc R . .
C41 C 0.7489(3) 0.9127(2) 0.39751(13) 0.0420(6) Uani 1 1 d . . .
H41 H 0.8162 0.8592 0.4244 0.050 Uiso 1 1 calc R . .
C42 C 0.7550(3) 0.90491(19) 0.33018(12) 0.0365(5) Uani 1 1 d . . .
H42 H 0.8288 0.8463 0.3110 0.044 Uiso 1 1 calc R . .
C43 C 0.5458(3) 0.50618(18) 0.20850(11) 0.0315(5) Uani 1 1 d . . .
C44 C 0.4283(3) 0.5416(2) 0.25854(12) 0.0352(5) Uani 1 1 d . . .
H44 H 0.3619 0.6115 0.2561 0.042 Uiso 1 1 calc R . .
C45 C 0.4078(4) 0.4760(2) 0.31142(12) 0.0423(6) Uani 1 1 d . . .
H45 H 0.3265 0.5005 0.3451 0.051 Uiso 1 1 calc R . .
C46 C 0.5046(4) 0.3747(2) 0.31571(13) 0.0477(7) Uani 1 1 d . . .
H46 H 0.4917 0.3302 0.3527 0.057 Uiso 1 1 calc R . .
C47 C 0.6200(4) 0.3381(2) 0.26634(14) 0.0478(7) Uani 1 1 d . . .
H47 H 0.6865 0.2682 0.2694 0.057 Uiso 1 1 calc R . .
C48 C 0.6396(3) 0.40286(19) 0.21218(12) 0.0389(6) Uani 1 1 d . . .
H48 H 0.7170 0.3767 0.1776 0.047 Uiso 1 1 calc R . .
Cl1 Cl 0.06553(8) 0.23019(5) 0.42196(3) 0.04320(16) Uani 1 1 d . . .
O1 O 0.1850(3) 0.2683(2) 0.37860(13) 0.0788(8) Uani 1 1 d . . .
O2 O 0.1344(4) 0.12541(16) 0.44335(12) 0.0759(8) Uani 1 1 d . . .
O3 O -0.0923(3) 0.2342(3) 0.38851(13) 0.0940(9) Uani 1 1 d . . .
O4 O 0.0297(3) 0.29562(16) 0.47729(11) 0.0642(6) Uani 1 1 d . . .
Cl2 Cl 0.83577(10) 0.26971(5) 0.03522(3) 0.04543(17) Uani 1 1 d . . .
O5 O 0.6737(4) 0.2730(2) 0.07089(13) 0.0845(8) Uani 1 1 d . . .
O6 O 0.8052(5) 0.3522(2) -0.01031(15) 0.1276(14) Uani 1 1 d . . .
O7 O 0.9582(5) 0.2799(3) 0.08038(18) 0.1312(15) Uani 1 1 d . . .
O8 O 0.8859(4) 0.17048(18) 0.00440(11) 0.0742(7) Uani 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'
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'
Co Co 0.3494 0.9721 '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
N3 Co N4 83.60(8) . . ?
N3 Co N1 134.94(8) . . ?
N4 Co N1 115.52(7) . . ?
N3 Co N2 111.07(8) . . ?
N4 Co N2 135.41(7) . . ?
N1 Co N2 84.29(7) . . ?
C1 N1 C11 119.20(19) . . ?
C1 N1 Co 130.47(15) . . ?
C11 N1 Co 110.00(14) . . ?
C10 N2 C12 119.06(19) . . ?
C10 N2 Co 130.46(15) . . ?
C12 N2 Co 109.95(14) . . ?
C25 N3 C35 119.5(2) . . ?
C25 N3 Co 129.22(17) . . ?
C35 N3 Co 110.78(15) . . ?
C34 N4 C36 119.35(19) . . ?
C34 N4 Co 129.41(15) . . ?
C36 N4 Co 110.62(15) . . ?
N1 C1 C2 120.5(2) . . ?
N1 C1 C13 118.41(19) . . ?
C2 C1 C13 121.0(2) . . ?
C3 C2 C1 120.3(2) . . ?
C2 C3 C4 120.2(2) . . ?
C11 C4 C3 117.0(2) . . ?
C11 C4 C5 119.3(2) . . ?
C3 C4 C5 123.7(2) . . ?
C6 C5 C4 121.5(2) . . ?
C5 C6 C7 120.3(2) . . ?
C12 C7 C8 116.9(2) . . ?
C12 C7 C6 119.7(2) . . ?
C8 C7 C6 123.4(2) . . ?
C9 C8 C7 120.0(2) . . ?
C8 C9 C10 120.4(2) . . ?
N2 C10 C9 120.7(2) . . ?
N2 C10 C19 118.6(2) . . ?
C9 C10 C19 120.7(2) . . ?
N1 C11 C4 122.8(2) . . ?
N1 C11 C12 117.78(19) . . ?
C4 C11 C12 119.5(2) . . ?
N2 C12 C7 122.7(2) . . ?
N2 C12 C11 117.84(19) . . ?
C7 C12 C11 119.5(2) . . ?
C14 C13 C18 118.5(2) . . ?
C14 C13 C1 119.8(2) . . ?
C18 C13 C1 121.6(2) . . ?
C15 C14 C13 120.2(2) . . ?
C14 C15 C16 120.6(2) . . ?
C17 C16 C15 120.1(2) . . ?
C16 C17 C18 119.6(2) . . ?
C17 C18 C13 120.8(2) . . ?
C20 C19 C24 118.9(2) . . ?
C20 C19 C10 121.0(2) . . ?
C24 C19 C10 120.0(2) . . ?
C21 C20 C19 120.7(2) . . ?
C22 C21 C20 119.8(3) . . ?
C23 C22 C21 120.1(3) . . ?
C22 C23 C24 120.7(3) . . ?
C23 C24 C19 119.8(3) . . ?
N3 C25 C26 120.4(2) . . ?
N3 C25 C37 116.4(2) . . ?
C26 C25 C37 123.3(2) . . ?
C27 C26 C25 120.1(3) . . ?
C26 C27 C28 120.4(2) . . ?
C35 C28 C27 116.6(2) . . ?
C35 C28 C29 118.9(3) . . ?
C27 C28 C29 124.5(2) . . ?
C30 C29 C28 121.3(2) . . ?
C29 C30 C31 121.0(3) . . ?
C36 C31 C32 116.9(2) . . ?
C36 C31 C30 118.8(3) . . ?
C32 C31 C30 124.3(2) . . ?
C33 C32 C31 120.3(2) . . ?
C32 C33 C34 119.8(2) . . ?
N4 C34 C33 120.7(2) . . ?
N4 C34 C43 117.68(19) . . ?
C33 C34 C43 121.6(2) . . ?
N3 C35 C28 122.8(2) . . ?
N3 C35 C36 117.3(2) . . ?
C28 C35 C36 119.9(2) . . ?
N4 C36 C31 122.8(2) . . ?
N4 C36 C35 117.5(2) . . ?
C31 C36 C35 119.8(2) . . ?
C42 C37 C38 118.6(2) . . ?
C42 C37 C25 120.1(2) . . ?
C38 C37 C25 121.2(2) . . ?
C39 C38 C37 119.9(3) . . ?
C40 C39 C38 120.8(3) . . ?
C41 C40 C39 120.0(3) . . ?
C40 C41 C42 119.5(3) . . ?
C41 C42 C37 121.2(2) . . ?
C48 C43 C44 119.1(2) . . ?
C48 C43 C34 119.9(2) . . ?
C44 C43 C34 121.0(2) . . ?
C45 C44 C43 120.4(2) . . ?
C44 C45 C46 120.3(3) . . ?
C47 C46 C45 120.0(2) . . ?
C46 C47 C48 120.2(3) . . ?
C47 C48 C43 119.9(2) . . ?
O2 Cl1 O3 110.48(19) . . ?
O2 Cl1 O1 110.04(14) . . ?
O3 Cl1 O1 108.50(17) . . ?
O2 Cl1 O4 109.25(14) . . ?
O3 Cl1 O4 107.94(15) . . ?
O1 Cl1 O4 110.62(16) . . ?
O7 Cl2 O6 113.6(3) . . ?
O7 Cl2 O8 109.09(18) . . ?
O6 Cl2 O8 111.24(18) . . ?
O7 Cl2 O5 106.7(2) . . ?
O6 Cl2 O5 105.9(2) . . ?
O8 Cl2 O5 110.20(15) . . ?
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
Co N3 2.0152(19) . ?
Co N4 2.0177(18) . ?
Co N1 2.0206(18) . ?
Co N2 2.0228(18) . ?
N1 C1 1.339(3) . ?
N1 C11 1.368(3) . ?
N2 C10 1.341(3) . ?
N2 C12 1.367(3) . ?
N3 C25 1.338(3) . ?
N3 C35 1.361(3) . ?
N4 C34 1.337(3) . ?
N4 C36 1.362(3) . ?
C1 C2 1.410(3) . ?
C1 C13 1.473(3) . ?
C2 C3 1.361(3) . ?
C3 C4 1.403(3) . ?
C4 C11 1.397(3) . ?
C4 C5 1.430(3) . ?
C5 C6 1.346(4) . ?
C6 C7 1.429(3) . ?
C7 C12 1.402(3) . ?
C7 C8 1.407(3) . ?
C8 C9 1.360(3) . ?
C9 C10 1.406(3) . ?
C10 C19 1.474(3) . ?
C11 C12 1.435(3) . ?
C13 C14 1.397(3) . ?
C13 C18 1.398(3) . ?
C14 C15 1.372(4) . ?
C15 C16 1.383(4) . ?
C16 C17 1.380(4) . ?
C17 C18 1.381(3) . ?
C19 C20 1.394(3) . ?
C19 C24 1.395(3) . ?
C20 C21 1.382(4) . ?
C21 C22 1.378(4) . ?
C22 C23 1.377(4) . ?
C23 C24 1.381(4) . ?
C25 C26 1.407(4) . ?
C25 C37 1.475(4) . ?
C26 C27 1.361(4) . ?
C27 C28 1.405(4) . ?
C28 C35 1.397(3) . ?
C28 C29 1.425(4) . ?
C29 C30 1.349(4) . ?
C30 C31 1.433(4) . ?
C31 C36 1.398(3) . ?
C31 C32 1.399(4) . ?
C32 C33 1.369(4) . ?
C33 C34 1.406(3) . ?
C34 C43 1.475(3) . ?
C35 C36 1.433(3) . ?
C37 C42 1.389(3) . ?
C37 C38 1.397(4) . ?
C38 C39 1.380(4) . ?
C39 C40 1.379(4) . ?
C40 C41 1.379(4) . ?
C41 C42 1.382(4) . ?
C43 C48 1.392(3) . ?
C43 C44 1.393(3) . ?
C44 C45 1.376(3) . ?
C45 C46 1.379(4) . ?
C46 C47 1.377(4) . ?
C47 C48 1.388(4) . ?
Cl1 O2 1.412(2) . ?
Cl1 O3 1.415(3) . ?
Cl1 O1 1.421(2) . ?
Cl1 O4 1.424(2) . ?
Cl2 O7 1.370(3) . ?
Cl2 O6 1.377(3) . ?
Cl2 O8 1.426(2) . ?
Cl2 O5 1.448(3) . ?
