#------------------------------------------------------------------------------
#$Date: 2021-05-05 11:42:24 +0300 (Wed, 05 May 2021) $
#$Revision: 264906 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/68/7706828.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_7706828
loop_
_publ_author_name
'Chen, Xue-Meng'
'Huang, Li-Cheng'
'Gao, Wei'
_publ_section_title
;
 One-pot synthesis of cobalt complexes with
 2,6-bis(arylimino)phenoxyl/phenthioxyl ligands and catalysis on isoprene
 polymerization.
;
_journal_issue                   15
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5218
_journal_page_last               5225
_journal_paper_doi               10.1039/d1dt00371b
_journal_volume                  50
_journal_year                    2021
_chemical_formula_moiety         'C32 H40 Cl2 Co N2 O, C7 H8'
_chemical_formula_sum            'C39 H48 Cl2 Co N2 O'
_chemical_formula_weight         690.62
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_audit_creation_date             2021-02-26
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2021-03-05 deposited with the CCDC.	2021-03-10 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 111.560(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.2116(7)
_cell_length_b                   15.6053(8)
_cell_length_c                   18.0770(10)
_cell_measurement_reflns_used    8936
_cell_measurement_temperature    180(2)
_cell_measurement_theta_max      24.97
_cell_measurement_theta_min      2.35
_cell_volume                     3728.5(3)
_computing_cell_refinement       'SAINT V8.40A (?, 2016)'
_computing_data_reduction        'SAINT V8.40A (?, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXS-1997 (Sheldrick, 2008)'
_diffrn_ambient_temperature      180.0
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0909
_diffrn_reflns_av_unetI/netI     0.0678
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            35937
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.034
_diffrn_reflns_theta_max         25.034
_diffrn_reflns_theta_min         2.043
_exptl_absorpt_coefficient_mu    0.635
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.4327
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            'clear greenish green'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   greenish
_exptl_crystal_colour_primary    green
_exptl_crystal_density_diffrn    1.230
_exptl_crystal_description       block
_exptl_crystal_F_000             1460
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.330
_refine_diff_density_min         -0.922
_refine_diff_density_rms         0.106
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.021
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     384
_refine_ls_number_reflns         6578
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.023
_refine_ls_R_factor_all          0.0989
_refine_ls_R_factor_gt           0.0758
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1264P)²+10.7671P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2046
_refine_ls_wR_factor_ref         0.2346
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5035
_reflns_number_total             6578
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1dt00371b2.cif
_cod_data_source_block           Complex_1a
_cod_depositor_comments
'Adding full bibliography for 7706827--7706830.cif.'
_cod_database_code               7706828
_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_max   0.911
_shelx_estimated_absorpt_t_min   0.894
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(C32) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
3.a Ternary CH refined with riding coordinates:
 C27(H27), C18(H18), C30(H30), C15(H15)
3.b Aromatic/amide H refined with riding coordinates:
 C3(H3), C5(H5), C7(H7), C4(H4), C11(H11), C24(H24), C8(H8), C25(H25),
 C23(H23), C12(H12), C13(H13), C34(H34), C35(H35), C37(H37), C38(H38), C36(H36)
3.c Idealised Me refined as rotating group:
 C16(H16A,H16B,H16C), C31(H31A,H31B,H31C), C28(H28A,H28B,H28C), C29(H29A,H29B,
 H29C), C17(H17A,H17B,H17C), C20(H20A,H20B,H20C), C19(H19A,H19B,H19C), C32(H32A,
 H32B,H32C), C39(H39A,H39B,H39C)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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
Co1 Co 0.28395(5) 0.32495(4) 0.37946(4) 0.0326(2) Uani 1 1 d . . . . .
Cl1 Cl 0.42485(9) 0.31209(8) 0.34981(7) 0.0395(3) Uani 1 1 d . . . . .
Cl2 Cl 0.15210(10) 0.24690(9) 0.29721(8) 0.0478(4) Uani 1 1 d . . . . .
O1 O 0.3168(3) 0.2900(2) 0.49033(18) 0.0356(8) Uani 1 1 d . . . . .
N1 N 0.2468(3) 0.4456(2) 0.3994(2) 0.0297(8) Uani 1 1 d . . . . .
C1 C 0.3029(3) 0.3333(3) 0.5468(3) 0.0281(9) Uani 1 1 d . . . . .
N2 N 0.3687(3) 0.1578(3) 0.5824(3) 0.0354(9) Uani 1 1 d . . . . .
C3 C 0.2540(3) 0.4604(3) 0.6028(3) 0.0337(10) Uani 1 1 d . . . . .
H3 H 0.2317 0.5183 0.5968 0.040 Uiso 1 1 calc R . . . .
C2 C 0.2688(3) 0.4200(3) 0.5386(3) 0.0279(9) Uani 1 1 d . . . . .
C10 C 0.2859(4) 0.5588(3) 0.3205(3) 0.0349(10) Uani 1 1 d . . . . .
C6 C 0.3213(3) 0.2933(3) 0.6216(3) 0.0301(10) Uani 1 1 d . . . . .
C5 C 0.3048(4) 0.3362(3) 0.6837(3) 0.0352(11) Uani 1 1 d . . . . .
H5 H 0.3173 0.3075 0.7328 0.042 Uiso 1 1 calc R . . . .
C7 C 0.2456(3) 0.4704(3) 0.4668(3) 0.0299(10) Uani 1 1 d . . . . .
H7 H 0.2273 0.5285 0.4700 0.036 Uiso 1 1 calc R . . . .
C4 C 0.2706(4) 0.4193(3) 0.6745(3) 0.0365(11) Uani 1 1 d . . . . .
H4 H 0.2586 0.4482 0.7164 0.044 Uiso 1 1 calc R . . . .
C14 C 0.1096(4) 0.5232(3) 0.2977(3) 0.0383(11) Uani 1 1 d . . . . .
C9 C 0.2131(3) 0.5106(3) 0.3371(3) 0.0319(10) Uani 1 1 d . . . . .
C11 C 0.2518(4) 0.6233(3) 0.2645(3) 0.0454(13) Uani 1 1 d . . . . .
H11 H 0.2993 0.6573 0.2518 0.055 Uiso 1 1 calc R . . . .
C24 C 0.4228(4) -0.1050(3) 0.6112(3) 0.0447(12) Uani 1 1 d . . . . .
H24 H 0.4350 -0.1649 0.6186 0.054 Uiso 1 1 calc R . . . .
C8 C 0.3532(4) 0.2057(3) 0.6351(3) 0.0346(10) Uani 1 1 d . . . . .
H8 H 0.3635 0.1814 0.6857 0.041 Uiso 1 1 calc R . . . .
C27 C 0.5739(4) 0.1003(4) 0.6271(3) 0.0462(13) Uani 1 1 d . . . . .
H27 H 0.5470 0.1496 0.5900 0.055 Uiso 1 1 calc R . . . .
C26 C 0.3057(4) 0.0121(3) 0.5791(3) 0.0380(11) Uani 1 1 d . . . . .
C22 C 0.4872(4) 0.0381(3) 0.6133(3) 0.0357(11) Uani 1 1 d . . . . .
C25 C 0.3262(4) -0.0747(3) 0.5899(3) 0.0432(12) Uani 1 1 d . . . . .
H25 H 0.2723 -0.1139 0.5824 0.052 Uiso 1 1 calc R . . . .
C21 C 0.3882(4) 0.0668(3) 0.5928(3) 0.0327(10) Uani 1 1 d . . . . .
C23 C 0.5027(4) -0.0505(3) 0.6219(3) 0.0409(12) Uani 1 1 d . . . . .
H23 H 0.5690 -0.0731 0.6354 0.049 Uiso 1 1 calc R . . . .
C18 C 0.0321(4) 0.4676(4) 0.3149(3) 0.0450(13) Uani 1 1 d . . . . .
H18 H 0.0683 0.4157 0.3443 0.054 Uiso 1 1 calc R . . . .
C30 C 0.1966(4) 0.0467(4) 0.5504(3) 0.0500(14) Uani 1 1 d . . . . .
H30 H 0.2005 0.1039 0.5267 0.060 Uiso 1 1 calc R . . . .
C12 C 0.1499(5) 0.6389(4) 0.2270(4) 0.0567(16) Uani 1 1 d . . . . .
H12 H 0.1282 0.6846 0.1899 0.068 Uiso 1 1 calc R . . . .
C15 C 0.3985(4) 0.5423(3) 0.3649(3) 0.0377(11) Uani 1 1 d . . . . .
H15 H 0.4056 0.4830 0.3873 0.045 Uiso 1 1 calc R . . . .
C16 C 0.4583(4) 0.5457(5) 0.3102(4) 0.0566(16) Uani 1 1 d . . . . .
H16A H 0.4282 0.5062 0.2656 0.085 Uiso 1 1 calc GR . . . .
H16B H 0.5286 0.5291 0.3400 0.085 Uiso 1 1 calc GR . . . .
H16C H 0.4565 0.6042 0.2899 0.085 Uiso 1 1 calc GR . . . .
C31 C 0.1626(5) 0.0662(5) 0.6174(4) 0.0677(18) Uani 1 1 d . . . . .
H31A H 0.1551 0.0126 0.6430 0.102 Uiso 1 1 calc GR . . . .
H31B H 0.0975 0.0961 0.5970 0.102 Uiso 1 1 calc GR . . . .
H31C H 0.2130 0.1026 0.6564 0.102 Uiso 1 1 calc GR . . . .
C28 C 0.6611(4) 0.0624(5) 0.6085(4) 0.0561(15) Uani 1 1 d . . . . .
H28A H 0.6940 0.0175 0.6474 0.084 Uiso 1 1 calc GR . . . .
H28B H 0.7103 0.1075 0.6113 0.084 Uiso 1 1 calc GR . . . .
H28C H 0.6354 0.0377 0.5549 0.084 Uiso 1 1 calc GR . . . .
C29 C 0.6109(5) 0.1363(4) 0.7118(4) 0.0594(16) Uani 1 1 d . . . . .
H29A H 0.5556 0.1675 0.7199 0.089 Uiso 1 1 calc GR . . . .
H29B H 0.6677 0.1753 0.7196 0.089 Uiso 1 1 calc GR . . . .
H29C H 0.6329 0.0891 0.7501 0.089 Uiso 1 1 calc GR . . . .
C13 C 0.0786(4) 0.5893(4) 0.2425(3) 0.0522(15) Uani 1 1 d . . . . .
H13 H 0.0086 0.6004 0.2154 0.063 Uiso 1 1 calc R . . . .
C17 C 0.4427(4) 0.6036(4) 0.4345(4) 0.0548(15) Uani 1 1 d . . . . .
H17A H 0.4390 0.6624 0.4145 0.082 Uiso 1 1 calc GR . . . .
H17B H 0.5135 0.5886 0.4644 0.082 Uiso 1 1 calc GR . . . .
H17C H 0.4041 0.5995 0.4695 0.082 Uiso 1 1 calc GR . . . .
C20 C -0.0117(5) 0.5156(5) 0.3699(5) 0.0682(19) Uani 1 1 d . . . . .
H20A H 0.0431 0.5288 0.4205 0.102 Uiso 1 1 calc GR . . . .
H20B H -0.0620 0.4793 0.3799 0.102 Uiso 1 1 calc GR . . . .
H20C H -0.0437 0.5689 0.3443 0.102 Uiso 1 1 calc GR . . . .
C19 C -0.0524(5) 0.4364(6) 0.2389(4) 0.077(2) Uani 1 1 d . . . . .
H19A H -0.0926 0.4855 0.2107 0.116 Uiso 1 1 calc GR . . . .
H19B H -0.0960 0.3961 0.2530 0.116 Uiso 1 1 calc GR . . . .
H19C H -0.0225 0.4077 0.2046 0.116 Uiso 1 1 calc GR . . . .
C34 C 0.1553(5) 0.8006(5) 0.0690(5) 0.0676(18) Uiso 1 1 d . . . . .
H34 H 0.1546 0.8151 0.1199 0.081 Uiso 1 1 calc R . . . .
C32 C 0.1272(7) -0.0028(9) 0.4847(6) 0.127(4) Uani 1 1 d . U . . .
H32A H 0.0580 0.0176 0.4727 0.191 Uiso 1 1 calc GR . . . .
H32B H 0.1317 -0.0634 0.4995 0.191 Uiso 1 1 calc GR . . . .
H32C H 0.1453 0.0042 0.4377 0.191 Uiso 1 1 calc GR . . . .
C33 C 0.0651(6) 0.7826(5) 0.0072(5) 0.0703(18) Uiso 1 1 d . . . . .
C35 C 0.2469(7) 0.7977(6) 0.0577(6) 0.088(2) Uiso 1 1 d . . . . .
H35 H 0.3079 0.8108 0.1008 0.105 Uiso 1 1 calc R . . . .
C37 C 0.1689(8) 0.7643(7) -0.0717(7) 0.103(3) Uiso 1 1 d . . . . .
H37 H 0.1743 0.7542 -0.1218 0.123 Uiso 1 1 calc R . . . .
C38 C 0.0723(8) 0.7645(7) -0.0664(7) 0.107(3) Uiso 1 1 d . . . . .
H38 H 0.0135 0.7526 -0.1117 0.128 Uiso 1 1 calc R . . . .
C36 C 0.2499(8) 0.7776(7) -0.0103(6) 0.105(3) Uiso 1 1 d . . . . .
H36 H 0.3137 0.7724 -0.0156 0.126 Uiso 1 1 calc R . . . .
C39 C -0.0314(9) 0.7867(8) 0.0230(8) 0.126(4) Uiso 1 1 d . . . . .
H39A H -0.0239 0.7533 0.0708 0.189 Uiso 1 1 calc GR . . . .
H39B H -0.0869 0.7630 -0.0226 0.189 Uiso 1 1 calc GR . . . .
H39C H -0.0464 0.8465 0.0311 0.189 Uiso 1 1 calc GR . . . .
H2 H 0.357(4) 0.182(4) 0.537(4) 0.042(15) 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'
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'
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'
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
Cl1 Co1 Cl2 112.73(5) . . ?
O1 Co1 Cl1 108.55(11) . . ?
O1 Co1 Cl2 110.44(11) . . ?
O1 Co1 N1 93.22(14) . . ?
N1 Co1 Cl1 115.84(11) . . ?
N1 Co1 Cl2 114.17(11) . . ?
C1 O1 Co1 127.7(3) . . ?
C7 N1 Co1 123.0(3) . . ?
C7 N1 C9 114.1(4) . . ?
C9 N1 Co1 122.8(3) . . ?
O1 C1 C2 123.7(4) . . ?
O1 C1 C6 119.4(4) . . ?
C6 C1 C2 116.9(4) . . ?
C8 N2 C21 123.3(4) . . ?
C4 C3 C2 122.7(4) . . ?
C1 C2 C7 124.5(4) . . ?
C3 C2 C1 119.2(4) . . ?
C3 C2 C7 116.3(4) . . ?
C9 C10 C15 120.8(4) . . ?
C11 C10 C9 117.5(4) . . ?
C11 C10 C15 121.7(5) . . ?
C1 C6 C8 121.1(4) . . ?
C5 C6 C1 121.8(4) . . ?
C5 C6 C8 117.1(4) . . ?
C4 C5 C6 120.7(4) . . ?
N1 C7 C2 127.5(4) . . ?
C5 C4 C3 118.7(4) . . ?
C9 C14 C18 121.6(4) . . ?
C13 C14 C9 117.9(5) . . ?
C13 C14 C18 120.5(5) . . ?
C10 C9 N1 118.7(4) . . ?
C14 C9 N1 118.6(4) . . ?
C14 C9 C10 122.7(4) . . ?
C12 C11 C10 120.7(5) . . ?
C25 C24 C23 121.2(5) . . ?
N2 C8 C6 123.7(4) . . ?
C22 C27 C28 113.3(5) . . ?
C22 C27 C29 111.0(5) . . ?
C28 C27 C29 110.9(5) . . ?
C25 C26 C21 117.0(5) . . ?
C25 C26 C30 121.7(5) . . ?
C21 C26 C30 121.3(5) . . ?
C21 C22 C27 121.3(4) . . ?
C21 C22 C23 116.7(5) . . ?
C23 C22 C27 121.9(5) . . ?
C24 C25 C26 121.1(5) . . ?
C26 C21 N2 118.0(4) . . ?
C22 C21 N2 118.5(4) . . ?
C22 C21 C26 123.4(4) . . ?
C24 C23 C22 120.5(5) . . ?
C14 C18 C20 110.4(5) . . ?
C14 C18 C19 112.7(5) . . ?
C19 C18 C20 111.2(5) . . ?
C31 C30 C26 112.6(5) . . ?
C32 C30 C26 112.7(6) . . ?
C32 C30 C31 116.5(7) . . ?
C11 C12 C13 121.2(5) . . ?
C16 C15 C10 112.3(4) . . ?
C17 C15 C10 111.3(4) . . ?
C17 C15 C16 110.8(5) . . ?
C12 C13 C14 119.9(5) . . ?
C33 C34 C35 120.9(8) . . ?
C34 C33 C38 116.0(8) . . ?
C34 C33 C39 118.5(8) . . ?
C38 C33 C39 125.5(9) . . ?
C36 C35 C34 120.7(9) . . ?
C36 C37 C38 121.6(11) . . ?
C33 C38 C37 118.6(10) . . ?
C35 C36 C37 122.0(11) . . ?
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
Co1 Cl1 2.2640(13) . ?
Co1 Cl2 2.2710(13) . ?
Co1 O1 1.961(3) . ?
Co1 N1 2.024(4) . ?
O1 C1 1.299(5) . ?
N1 C7 1.284(6) . ?
N1 C9 1.459(6) . ?
C1 C2 1.426(6) . ?
C1 C6 1.424(6) . ?
N2 C8 1.292(6) . ?
N2 C21 1.445(6) . ?
C3 C2 1.403(6) . ?
C3 C4 1.386(7) . ?
C2 C7 1.447(6) . ?
C10 C9 1.397(7) . ?
C10 C11 1.383(7) . ?
C10 C15 1.526(7) . ?
C6 C5 1.398(7) . ?
C6 C8 1.434(7) . ?
C5 C4 1.374(7) . ?
C14 C9 1.392(7) . ?
C14 C18 1.521(7) . ?
C14 C13 1.391(7) . ?
C11 C12 1.376(8) . ?
C24 C25 1.367(8) . ?
C24 C23 1.374(8) . ?
C27 C22 1.515(7) . ?
C27 C28 1.518(8) . ?
C27 C29 1.531(8) . ?
C26 C25 1.384(7) . ?
C26 C21 1.398(7) . ?
C26 C30 1.540(7) . ?
C22 C21 1.390(7) . ?
C22 C23 1.400(7) . ?
C18 C20 1.547(9) . ?
C18 C19 1.534(8) . ?
C30 C31 1.492(9) . ?
C30 C32 1.455(11) . ?
C12 C13 1.382(9) . ?
C15 C16 1.523(7) . ?
C15 C17 1.521(7) . ?
C34 C33 1.385(10) . ?
C34 C35 1.390(11) . ?
C33 C38 1.400(12) . ?
C33 C39 1.501(13) . ?
C35 C36 1.286(13) . ?
C37 C38 1.411(14) . ?
C37 C36 1.288(14) . ?
