#------------------------------------------------------------------------------
#$Date: 2015-04-02 14:22:18 +0300 (Thu, 02 Apr 2015) $
#$Revision: 134621 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/01/4300186.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_4300186
loop_
_publ_author_name
'Pramatha Payra'
'Huichang Zhang'
'Wai Him Kwok'
'Maosheng Duan'
'Judith Gallucci'
'Michael K. Chan'
_publ_contact_author_address
;Departments of Chemistry and Biochemistry
The Ohio State University
100 West 18th Avenue
Columbus, OH 43210
;
_publ_contact_author_email       chan@chemistry.ohio-state.edu
_publ_contact_author_fax         614-292-6773
_publ_contact_author_name        'Michael K. Chan'
_publ_contact_author_phone       614-292-8375
_publ_section_title
;
Structural Trends in First-Row Transition-Metal Bis(benzimidazole)
Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1076
_journal_page_last               1080
_journal_paper_doi               10.1021/ic991075a
_journal_volume                  39
_journal_year                    2000
_chemical_formula_sum            'C33 H34 Cl2 Co N6 O3'
_chemical_formula_weight         692.49
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_method           SHELXL--93
_cell_angle_alpha                110.44(1)
_cell_angle_beta                 92.03(1)
_cell_angle_gamma                110.260(9)
_cell_formula_units_Z            2
_cell_length_a                   10.553(1)
_cell_length_b                   11.193(2)
_cell_length_c                   15.510(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    223
_cell_measurement_theta_max      15.0
_cell_measurement_theta_min      12.5
_cell_volume                     1584.8(4)
_computing_data_reduction        'teXsan (MSC, 1995)'
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      223
_diffrn_measurement_device       'Rigaku AFC5S'
_diffrn_measurement_method       'omega--two theta scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.023
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            7731
_diffrn_reflns_theta_max         27.56
_diffrn_reflns_theta_min         2.03
_diffrn_standards_decay_%        none
_diffrn_standards_interval_count 150
_diffrn_standards_number         6
_exptl_absorpt_coefficient_mu    0.755
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.946
_exptl_absorpt_correction_type   'empirical psi scans'
_exptl_crystal_colour            orange--red
_exptl_crystal_density_diffrn    1.451
_exptl_crystal_description       'rod-like habit'
_exptl_crystal_F_000             718
_exptl_crystal_size_max          0.31
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.827
_refine_diff_density_min         -0.499
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.311
_refine_ls_goodness_of_fit_obs   1.413
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     407
_refine_ls_number_reflns         7319
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.384
_refine_ls_restrained_S_obs      1.413
_refine_ls_R_factor_all          0.1101
_refine_ls_R_factor_obs          0.0511
_refine_ls_shift/esd_max         -0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0580P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1598
_refine_ls_wR_factor_obs         0.1308
_reflns_number_observed          4835
_reflns_number_total             7330
_reflns_observed_criterion       >2sigma(I)
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0580P)^2^] where P=(Fo^2^+2Fc^2^)/3' was changed
to 'calc'. New tag '_refine_ls_weighting_details' was created. The
value of the new tag was set to 'w=1/[\s^2^(Fo^2^)+(0.0580P)^2^]
where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_database_code               4300186
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_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
Co Co 0.94527(5) 0.33205(5) 0.70950(3) 0.02387(13) Uani 1 d . .
Cl1 Cl 1.04613(11) 0.22170(10) 0.76834(6) 0.0372(2) Uani 1 d . .
Cl2 Cl 0.53450(13) 0.07373(11) 0.24649(9) 0.0558(3) Uani 1 d . .
O1 O 0.6818(4) -0.0793(4) 0.1038(3) 0.0772(11) Uani 1 d . .
H1A H 0.6204 -0.0600 0.1522 0.092 Uiso 1 d . .
O2 O 0.5733(5) 0.7125(5) 0.7783(4) 0.103(2) Uani 1 d . .
H2A H 0.5288 0.7800 0.7694 0.124 Uiso 1 d . .
O3 O 0.8583(6) 0.7991(4) 0.8142(3) 0.104(2) Uani 1 d . .
N1 N 0.8532(3) 0.4344(3) 0.8006(2) 0.0246(6) Uani 1 d . .
N2 N 1.1147(3) 0.5310(3) 0.7561(2) 0.0253(6) Uani 1 d . .
N3 N 0.9799(3) 0.3010(3) 0.5788(2) 0.0245(6) Uani 1 d . .
N4 N 0.7428(3) 0.1684(3) 0.6416(2) 0.0277(6) Uani 1 d . .
N5 N 0.8152(3) 0.5937(3) 0.9182(2) 0.0281(6) Uani 1 d . .
N6 N 0.9601(3) 0.2082(3) 0.4240(2) 0.0280(6) Uani 1 d . .
C1 C 0.7133(3) 0.3975(3) 0.7957(2) 0.0249(7) Uani 1 d . .
C2 C 0.6875(4) 0.4960(4) 0.8677(2) 0.0287(7) Uani 1 d . .
C3 C 0.5553(4) 0.4856(4) 0.8822(3) 0.0375(9) Uani 1 d . .
H3 H 0.5399(4) 0.5542(4) 0.9300(3) 0.045 Uiso 1 calc R .
C4 C 0.4487(4) 0.3693(4) 0.8226(3) 0.0402(9) Uani 1 d . .
H4 H 0.3590(4) 0.3586(4) 0.8304(3) 0.048 Uiso 1 calc R .
C5 C 0.4722(4) 0.2672(4) 0.7509(3) 0.0363(9) Uani 1 d . .
H5 H 0.3975(4) 0.1892(4) 0.7125(3) 0.044 Uiso 1 calc R .
C6 C 0.6046(4) 0.2783(4) 0.7345(2) 0.0287(7) Uani 1 d . .
C7 C 0.6245(4) 0.1680(4) 0.6606(2) 0.0300(8) Uani 1 d . .
H7 H 0.5469(4) 0.0915(4) 0.6243(2) 0.036 Uiso 1 calc R .
C8 C 0.7438(4) 0.0460(3) 0.5709(2) 0.0284(8) Uani 1 d . .
C9 C 0.6672(4) -0.0817(4) 0.5727(3) 0.0387(9) Uani 1 d . .
H9 H 0.6130(4) -0.0869(4) 0.6183(3) 0.046 Uiso 1 calc R .
C10 C 0.6707(5) -0.2023(4) 0.5067(3) 0.0422(10) Uani 1 d . .
H10 H 0.6176(5) -0.2876(4) 0.5076(3) 0.051 Uiso 1 calc R .
C11 C 0.7534(4) -0.1947(4) 0.4399(3) 0.0374(9) Uani 1 d . .
H11 H 0.7561(4) -0.2751(4) 0.3961(3) 0.045 Uiso 1 calc R .
C12 C 0.8320(4) -0.0682(4) 0.4379(2) 0.0319(8) Uani 1 d . .
H12 H 0.8881(4) -0.0641(4) 0.3933(2) 0.038 Uiso 1 calc R .
C13 C 0.8278(4) 0.0545(3) 0.5028(2) 0.0272(7) Uani 1 d . .
C14 C 0.9182(4) 0.1875(3) 0.5017(2) 0.0267(7) Uani 1 d . .
C15 C 0.9035(5) 0.1189(4) 0.3252(2) 0.0424(10) Uani 1 d . .
H15A H 0.9140(27) 0.1748(4) 0.2890(4) 0.064 Uiso 1 calc R .
H15B H 0.8079(8) 0.0650(22) 0.3187(4) 0.064 Uiso 1 calc R .
H15C H 0.9518(20) 0.0585(21) 0.3032(6) 0.064 Uiso 1 calc R .
C16 C 1.0585(4) 0.3418(4) 0.4543(2) 0.0272(7) Uani 1 d . .
C17 C 1.1375(4) 0.4140(4) 0.4052(3) 0.0349(9) Uani 1 d . .
H17 H 1.1291(4) 0.3754(4) 0.3405(3) 0.042 Uiso 1 calc R .
C18 C 1.2300(4) 0.5478(4) 0.4587(3) 0.0384(9) Uani 1 d . .
H18 H 1.2846(4) 0.6002(4) 0.4288(3) 0.046 Uiso 1 calc R .
C19 C 1.2430(4) 0.6053(4) 0.5560(3) 0.0346(8) Uani 1 d . .
H19 H 1.3059(4) 0.6948(4) 0.5892(3) 0.042 Uiso 1 calc R .
C20 C 1.1637(4) 0.5317(3) 0.6044(2) 0.0269(7) Uani 1 d . .
C21 C 1.0696(4) 0.3977(3) 0.5513(2) 0.0261(7) Uani 1 d . .
C22 C 1.1834(4) 0.5923(4) 0.7055(3) 0.0291(8) Uani 1 d . .
H22 H 1.2496(4) 0.6809(4) 0.7361(3) 0.035 Uiso 1 calc R .
C23 C 1.1569(4) 0.6015(3) 0.8554(2) 0.0266(7) Uani 1 d . .
C24 C 1.2951(4) 0.6539(4) 0.8947(3) 0.0349(8) Uani 1 d . .
H24 H 1.3593(4) 0.6436(4) 0.8562(3) 0.042 Uiso 1 calc R .
C25 C 1.3377(4) 0.7209(4) 0.9903(3) 0.0386(9) Uani 1 d . .
H25 H 1.4305(4) 0.7564(4) 1.0157(3) 0.046 Uiso 1 calc R .
C26 C 1.2438(4) 0.7355(4) 1.0483(3) 0.0391(9) Uani 1 d . .
H26 H 1.2732(4) 0.7821(4) 1.1125(3) 0.047 Uiso 1 calc R .
C27 C 1.1059(4) 0.6812(4) 1.0111(2) 0.0322(8) Uani 1 d . .
H27 H 1.0431(4) 0.6894(4) 1.0511(2) 0.039 Uiso 1 calc R .
C28 C 1.0582(4) 0.6135(3) 0.9140(2) 0.0266(7) Uani 1 d . .
C29 C 0.9114(4) 0.5505(3) 0.8765(2) 0.0255(7) Uani 1 d . .
C30 C 0.8324(5) 0.7245(4) 0.9944(3) 0.0417(10) Uani 1 d . .
H30A H 0.7593(17) 0.7524(16) 0.9826(10) 0.063 Uiso 1 calc R .
H30B H 0.9189(14) 0.7943(8) 0.9976(13) 0.063 Uiso 1 calc R .
H30C H 0.8302(30) 0.7120(9) 1.0526(4) 0.063 Uiso 1 calc R .
C31 C 0.7320(13) 0.0151(13) 0.0674(9) 0.066(3) Uiso 0.50 d P .
C35 C 0.6766(11) -0.0122(11) 0.0346(7) 0.051(2) Uiso 0.50 d P .
C32 C 0.5385(7) 0.6018(7) 0.6902(4) 0.086(2) Uani 1 d . .
H32A H 0.5623(44) 0.6378(7) 0.6426(6) 0.129 Uiso 1 calc R .
H32B H 0.4417(10) 0.5482(28) 0.6773(15) 0.129 Uiso 1 calc R .
H32C H 0.5880(37) 0.5445(28) 0.6910(11) 0.129 Uiso 1 calc R .
C33 C 0.8647(16) 0.9502(15) 0.8291(10) 0.096(4) Uiso 0.50 d P .
C34 C 0.9307(11) 0.9409(11) 0.8623(7) 0.059(3) Uiso 0.50 d P .
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
N1 Co N3 138.23(11) . . ?
N1 Co N2 84.38(11) . . ?
N3 Co N2 88.28(11) . . ?
N1 Co N4 88.48(11) . . ?
N3 Co N4 84.77(11) . . ?
N2 Co N4 160.17(11) . . ?
N1 Co Cl1 113.13(8) . . ?
N3 Co Cl1 108.61(8) . . ?
N2 Co Cl1 98.51(8) . . ?
N4 Co Cl1 101.31(8) . . ?
C31 O1 C35 25.9(6) . . ?
C31 O1 H1A 116.4(6) . . ?
C35 O1 H1A 111.8(5) . . ?
C32 O2 H2A 105.6(5) . . ?
C34 O3 C33 34.4(6) . . ?
C29 N1 C1 106.2(3) . . ?
C29 N1 Co 128.2(2) . . ?
C1 N1 Co 125.6(2) . . ?
C22 N2 C23 116.4(3) . . ?
C22 N2 Co 128.2(2) . . ?
C23 N2 Co 115.4(2) . . ?
C14 N3 C21 106.7(3) . . ?
C14 N3 Co 127.7(2) . . ?
C21 N3 Co 125.5(2) . . ?
C7 N4 C8 116.8(3) . . ?
C7 N4 Co 127.7(2) . . ?
C8 N4 Co 115.5(2) . . ?
C29 N5 C2 107.1(3) . . ?
C29 N5 C30 129.7(3) . . ?
C2 N5 C30 122.7(3) . . ?
C14 N6 C16 107.0(3) . . ?
C14 N6 C15 128.8(3) . . ?
C16 N6 C15 123.8(3) . . ?
N1 C1 C2 109.5(3) . . ?
N1 C1 C6 130.0(3) . . ?
C2 C1 C6 120.5(3) . . ?
C1 C2 N5 106.0(3) . . ?
C1 C2 C3 122.8(4) . . ?
N5 C2 C3 131.2(3) . . ?
C4 C3 C2 117.0(4) . . ?
C4 C3 H3 121.5(2) . . ?
C2 C3 H3 121.5(2) . . ?
C3 C4 C5 121.3(4) . . ?
C3 C4 H4 119.3(2) . . ?
C5 C4 H4 119.3(2) . . ?
C4 C5 C6 122.1(4) . . ?
C4 C5 H5 119.0(2) . . ?
C6 C5 H5 119.0(2) . . ?
C5 C6 C1 116.3(3) . . ?
C5 C6 C7 120.2(3) . . ?
C1 C6 C7 123.4(3) . . ?
N4 C7 C6 124.4(3) . . ?
N4 C7 H7 117.8(2) . . ?
C6 C7 H7 117.8(2) . . ?
C9 C8 C13 119.9(3) . . ?
C9 C8 N4 119.5(3) . . ?
C13 C8 N4 120.5(3) . . ?
C8 C9 C10 120.6(4) . . ?
C8 C9 H9 119.7(2) . . ?
C10 C9 H9 119.7(2) . . ?
C11 C10 C9 119.8(4) . . ?
C11 C10 H10 120.1(2) . . ?
C9 C10 H10 120.1(2) . . ?
C12 C11 C10 120.4(3) . . ?
C12 C11 H11 119.8(2) . . ?
C10 C11 H11 119.8(2) . . ?
C11 C12 C13 120.6(3) . . ?
C11 C12 H12 119.7(2) . . ?
C13 C12 H12 119.7(2) . . ?
C12 C13 C8 118.7(3) . . ?
C12 C13 C14 119.0(3) . . ?
C8 C13 C14 122.1(3) . . ?
N3 C14 N6 111.2(3) . . ?
N3 C14 C13 123.5(3) . . ?
N6 C14 C13 125.0(3) . . ?
N6 C15 H15A 109.5(2) . . ?
N6 C15 H15B 109.5(2) . . ?
H15A C15 H15B 109.5 . . ?
N6 C15 H15C 109.5(2) . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
N6 C16 C17 131.2(3) . . ?
N6 C16 C21 105.9(3) . . ?
C17 C16 C21 122.9(3) . . ?
C16 C17 C18 116.1(3) . . ?
C16 C17 H17 122.0(2) . . ?
C18 C17 H17 122.0(2) . . ?
C17 C18 C19 121.8(3) . . ?
C17 C18 H18 119.1(2) . . ?
C19 C18 H18 119.1(2) . . ?
C20 C19 C18 121.6(4) . . ?
C20 C19 H19 119.2(2) . . ?
C18 C19 H19 119.2(2) . . ?
C19 C20 C21 117.1(3) . . ?
C19 C20 C22 120.2(3) . . ?
C21 C20 C22 122.7(3) . . ?
N3 C21 C16 109.1(3) . . ?
N3 C21 C20 130.4(3) . . ?
C16 C21 C20 120.5(3) . . ?
N2 C22 C20 124.3(3) . . ?
N2 C22 H22 117.9(2) . . ?
C20 C22 H22 117.9(2) . . ?
C24 C23 C28 119.9(3) . . ?
C24 C23 N2 119.7(3) . . ?
C28 C23 N2 120.3(3) . . ?
C25 C24 C23 120.7(4) . . ?
C25 C24 H24 119.7(2) . . ?
C23 C24 H24 119.7(2) . . ?
C26 C25 C24 120.4(4) . . ?
C26 C25 H25 119.8(2) . . ?
C24 C25 H25 119.8(2) . . ?
C25 C26 C27 120.0(4) . . ?
C25 C26 H26 120.0(2) . . ?
C27 C26 H26 120.0(2) . . ?
C26 C27 C28 121.5(3) . . ?
C26 C27 H27 119.2(2) . . ?
C28 C27 H27 119.2(2) . . ?
C27 C28 C23 117.6(3) . . ?
C27 C28 C29 120.6(3) . . ?
C23 C28 C29 121.7(3) . . ?
N1 C29 N5 111.2(3) . . ?
N1 C29 C28 123.5(3) . . ?
N5 C29 C28 125.0(3) . . ?
N5 C30 H30A 109.5(2) . . ?
N5 C30 H30B 109.5(2) . . ?
H30A C30 H30B 109.5 . . ?
N5 C30 H30C 109.5(2) . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C35 C31 O1 93.2(18) . . ?
C31 C35 O1 60.9(15) . . ?
O2 C32 H32A 109.5(3) . . ?
O2 C32 H32B 109.5(3) . . ?
H32A C32 H32B 109.5 . . ?
O2 C32 H32C 109.5(3) . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C34 C33 O3 60.4(12) . . ?
C33 C34 O3 85.2(14) . . ?
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 N1 1.998(3) . ?
Co N3 2.003(3) . ?
Co N2 2.169(3) . ?
Co N4 2.194(3) . ?
Co Cl1 2.2629(10) . ?
O1 C31 1.328(12) . ?
O1 C35 1.518(11) . ?
O1 H1A 1.024(3) . ?
O2 C32 1.415(7) . ?
O2 H2A 1.061(5) . ?
O3 C34 1.398(11) . ?
O3 C33 1.60(2) . ?
N1 C29 1.334(4) . ?
N1 C1 1.380(4) . ?
N2 C22 1.299(4) . ?
N2 C23 1.432(4) . ?
N3 C14 1.334(4) . ?
N3 C21 1.375(4) . ?
N4 C7 1.291(4) . ?
N4 C8 1.428(4) . ?
N5 C29 1.360(4) . ?
N5 C2 1.390(5) . ?
N5 C30 1.472(4) . ?
N6 C14 1.364(4) . ?
N6 C16 1.391(5) . ?
N6 C15 1.468(4) . ?
C1 C2 1.381(5) . ?
C1 C6 1.405(5) . ?
C2 C3 1.392(5) . ?
C3 C4 1.373(6) . ?
C3 H3 0.93 . ?
C4 C5 1.390(5) . ?
C4 H4 0.93 . ?
C5 C6 1.400(5) . ?
C5 H5 0.93 . ?
C6 C7 1.446(5) . ?
C7 H7 0.93 . ?
C8 C9 1.388(5) . ?
C8 C13 1.410(5) . ?
C9 C10 1.394(5) . ?
C9 H9 0.93 . ?
C10 C11 1.385(6) . ?
C10 H10 0.93 . ?
C11 C12 1.383(5) . ?
C11 H11 0.93 . ?
C12 C13 1.407(5) . ?
C12 H12 0.93 . ?
C13 C14 1.471(5) . ?
C15 H15A 0.96 . ?
C15 H15B 0.96 . ?
C15 H15C 0.96 . ?
C16 C17 1.392(5) . ?
C16 C21 1.396(5) . ?
C17 C18 1.395(6) . ?
C17 H17 0.93 . ?
C18 C19 1.400(5) . ?
C18 H18 0.93 . ?
C19 C20 1.393(5) . ?
C19 H19 0.93 . ?
C20 C21 1.401(5) . ?
C20 C22 1.448(5) . ?
C22 H22 0.93 . ?
C23 C24 1.392(5) . ?
C23 C28 1.417(5) . ?
C24 C25 1.381(5) . ?
C24 H24 0.93 . ?
C25 C26 1.375(6) . ?
C25 H25 0.93 . ?
C26 C27 1.379(6) . ?
C26 H26 0.93 . ?
C27 C28 1.407(5) . ?
C27 H27 0.93 . ?
C28 C29 1.459(5) . ?
C30 H30A 0.96 . ?
C30 H30B 0.96 . ?
C30 H30C 0.96 . ?
C31 C35 0.664(14) . ?
C32 H32A 0.96 . ?
C32 H32B 0.96 . ?
C32 H32C 0.96 . ?
C33 C34 0.91(2) . ?
