#------------------------------------------------------------------------------
#$Date: 2016-02-20 22:30:07 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176789 $
#$URL: svn://www.crystallography.net/cod/cif/2/22/69/2226927.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2226927
loop_
_publ_author_name
'Bai, Xue-Lian'
'Yue, Tian-Li'
'Yuan, Ya-Hong'
'Zhang, Hua-Wei'
_publ_section_title
;
 Bis[4-(2-benzoyl-1-oxidoethenyl)-3-hydroxyphenyl
 benzoato]diethanolcobalt(II)
;
_journal_coeditor_code           HB5579
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1038
_journal_page_last               m1039
_journal_paper_doi               10.1107/S1600536810029776
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          '[Co (C22 H15 O5)2 (C2 H6 O)2]'
_chemical_formula_moiety         'C48 H42 Co O12'
_chemical_formula_sum            'C48 H42 Co O12'
_chemical_formula_weight         869.75
_chemical_name_systematic
;
Bis[4-(2-benzoyl-1-oxidoethenyl)-3-hydroxyphenyl
benzoato]diethanolcobalt(II)
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_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
_cell_angle_alpha                106.3580(10)
_cell_angle_beta                 95.431(2)
_cell_angle_gamma                90.9200(10)
_cell_formula_units_Z            1
_cell_length_a                   7.2068(9)
_cell_length_b                   9.4298(12)
_cell_length_c                   16.5511(19)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      12
_cell_measurement_theta_min      9
_cell_volume                     1073.3(2)
_computing_cell_refinement       'CAD-4 Software (Enraf--Nonius, 1989)'
_computing_data_collection       'CAD-4 Software (Enraf--Nonius, 1989)'
_computing_data_reduction        'XCAD4 (Harms & Wocadlo, 1995)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'Enraf--Nonius CAD-4'
_diffrn_measurement_method       'ω/2θ scan'
_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  0.0393
_diffrn_reflns_av_sigmaI/netI    0.0930
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            5612
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.25
_diffrn_standards_decay_%        1
_diffrn_standards_interval_count 200
_diffrn_standards_interval_time  120
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.464
_exptl_absorpt_correction_T_max  0.955
_exptl_absorpt_correction_T_min  0.844
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North et al., 1968)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.346
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             453
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.328
_refine_diff_density_min         -0.394
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.945
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     296
_refine_ls_number_reflns         3716
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.945
_refine_ls_R_factor_all          0.1202
_refine_ls_R_factor_gt           0.0648
_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)+(0.0689P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1405
_refine_ls_wR_factor_ref         0.1608
_reflns_number_gt                1953
_reflns_number_total             3716
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            hb5579.cif
_cod_data_source_block           I
_cod_database_code               2226927
_cod_database_fobs_code          2226927
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Co Co1 0.5000 0.5000 0.5000 0.0624(4) Uani d S 1 . .
O O1 0.6698(4) 0.3797(3) 0.55579(17) 0.0628(9) Uani d . 1 . .
O O2 0.3392(4) 0.5269(4) 0.59728(17) 0.0651(9) Uani d . 1 . .
O O3 0.0547(4) 0.6632(4) 0.63944(17) 0.0761(11) Uani d . 1 . .
H H3 0.1307 0.6221 0.6077 0.114 Uiso calc R 1 . .
O O4 -0.0989(4) 0.7618(4) 0.92129(19) 0.0698(9) Uani d . 1 . .
O O5 -0.2457(5) 0.5537(4) 0.9277(2) 0.0889(12) Uani d . 1 . .
O O6 0.3197(5) 0.3103(4) 0.4264(2) 0.0835(11) Uani d . 1 . .
H H6 0.2093 0.3309 0.4121 0.100 Uiso d R 1 A .
C C1 0.6744(6) 0.3714(5) 0.6316(3) 0.0496(11) Uani d . 1 . .
C C2 0.5426(6) 0.4316(5) 0.6878(2) 0.0553(12) Uani d . 1 . .
H H2 0.5644 0.4225 0.7424 0.066 Uiso calc R 1 . .
C C3 0.3823(6) 0.5036(5) 0.6703(2) 0.0487(11) Uani d . 1 . .
C C4 0.2513(5) 0.5608(5) 0.7353(2) 0.0481(11) Uani d . 1 . .
C C5 0.0949(6) 0.6410(5) 0.7169(2) 0.0507(11) Uani d . 1 . .
C C6 -0.0226(6) 0.7014(5) 0.7786(3) 0.0587(12) Uani d . 1 . .
H H6A -0.1229 0.7551 0.7661 0.070 Uiso calc R 1 . .
C C7 0.0089(6) 0.6822(5) 0.8575(3) 0.0582(12) Uani d . 1 . .
C C8 0.1538(6) 0.5989(5) 0.8769(3) 0.0658(14) Uani d . 1 . .
H H8 0.1708 0.5818 0.9297 0.079 Uiso calc R 1 . .
C C9 0.2720(6) 0.5420(5) 0.8164(3) 0.0597(13) Uani d . 1 . .
H H9 0.3710 0.4882 0.8302 0.072 Uiso calc R 1 . .
C C10 0.8321(6) 0.2857(5) 0.6592(2) 0.0510(12) Uani d . 1 . .
C C11 0.9469(7) 0.2133(6) 0.6006(3) 0.0824(18) Uani d . 1 . .
H H11 0.9284 0.2200 0.5454 0.099 Uiso calc R 1 . .
C C12 1.0905(8) 0.1300(7) 0.6226(3) 0.100(2) Uani d . 1 . .
H H12 1.1665 0.0814 0.5821 0.120 Uiso calc R 1 . .
C C13 1.1205(8) 0.1191(6) 0.7038(3) 0.0886(18) Uani d . 1 . .
H H13 1.2125 0.0597 0.7181 0.106 Uiso calc R 1 . .
C C14 1.0137(8) 0.1964(6) 0.7625(3) 0.0873(19) Uani d . 1 . .
H H14 1.0363 0.1935 0.8182 0.105 Uiso calc R 1 . .
C C15 0.8721(7) 0.2792(6) 0.7409(3) 0.0714(15) Uani d . 1 . .
H H15 0.8016 0.3322 0.7827 0.086 Uiso calc R 1 . .
C C16 -0.2220(7) 0.6860(6) 0.9529(3) 0.0588(12) Uani d . 1 . .
C C17 -0.3227(6) 0.7882(5) 1.0192(2) 0.0515(12) Uani d . 1 . .
C C18 -0.2748(7) 0.9379(6) 1.0524(3) 0.0638(13) Uani d . 1 . .
H H18 -0.1730 0.9787 1.0348 0.077 Uiso calc R 1 . .
C C19 -0.3782(7) 1.0260(6) 1.1114(3) 0.0751(15) Uani d . 1 . .
H H19 -0.3452 1.1261 1.1341 0.090 Uiso calc R 1 . .
C C20 -0.5292(8) 0.9668(7) 1.1368(3) 0.0784(17) Uani d . 1 . .
H H20 -0.5986 1.0270 1.1764 0.094 Uiso calc R 1 . .
C C21 -0.5791(8) 0.8193(7) 1.1042(3) 0.0843(17) Uani d . 1 . .
H H21 -0.6831 0.7798 1.1208 0.101 Uiso calc R 1 . .
C C22 -0.4739(7) 0.7297(6) 1.0465(3) 0.0697(14) Uani d . 1 . .
H H22 -0.5051 0.6290 1.0258 0.084 Uiso calc R 1 . .
C C23 0.3217(17) 0.1644(13) 0.4320(14) 0.087(5) Uani d P 0.65(3) A 1
H H23A 0.2041 0.1119 0.4068 0.104 Uiso calc PR 0.65(3) A 1
H H23B 0.3398 0.1644 0.4909 0.104 Uiso calc PR 0.65(3) A 1
C C24 0.479(6) 0.090(5) 0.3856(19) 0.116(8) Uani d P 0.65(3) A 1
H H24A 0.4836 0.1185 0.3344 0.174 Uiso calc PR 0.65(3) A 1
H H24B 0.4601 -0.0151 0.3719 0.174 Uiso calc PR 0.65(3) A 1
H H24C 0.5951 0.1202 0.4207 0.174 Uiso calc PR 0.65(3) A 1
C C23' 0.348(3) 0.165(2) 0.375(3) 0.087(8) Uani d P 0.35(3) A 2
H H23C 0.4117 0.1730 0.3273 0.104 Uiso calc PR 0.35(3) A 2
H H23D 0.2272 0.1159 0.3526 0.104 Uiso calc PR 0.35(3) A 2
C C24' 0.458(11) 0.067(9) 0.418(3) 0.116(14) Uani d P 0.35(3) A 2
H H24D 0.5487 0.1267 0.4610 0.174 Uiso calc PR 0.35(3) A 2
H H24E 0.5215 -0.0033 0.3770 0.174 Uiso calc PR 0.35(3) A 2
H H24F 0.3755 0.0156 0.4433 0.174 Uiso calc PR 0.35(3) A 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'
O O 0.0106 0.0060 '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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
O1 Co1 O1 2_666 . 180.00(13) ?
O1 Co1 O2 2_666 2_666 88.35(11) ?
O1 Co1 O2 . 2_666 91.65(11) ?
O1 Co1 O2 2_666 . 91.65(11) ?
O1 Co1 O2 . . 88.35(11) ?
O2 Co1 O2 2_666 . 180.0000(10) ?
O1 Co1 O6 2_666 2_666 94.47(13) ?
O1 Co1 O6 . 2_666 85.53(13) ?
O2 Co1 O6 2_666 2_666 89.66(13) ?
O2 Co1 O6 . 2_666 90.34(13) ?
O1 Co1 O6 2_666 . 85.53(13) ?
O1 Co1 O6 . . 94.47(13) ?
O2 Co1 O6 2_666 . 90.34(13) ?
O2 Co1 O6 . . 89.66(13) ?
O6 Co1 O6 2_666 . 180.0000(10) ?
C1 O1 Co1 . . 127.4(2) ?
C3 O2 Co1 . . 127.9(3) ?
C5 O3 H3 . . 109.5 ?
C16 O4 C7 . . 119.1(4) ?
C23 O6 C23' . . 40.5(9) ?
C23 O6 Co1 . . 128.0(6) ?
C23' O6 Co1 . . 135.4(9) ?
C23 O6 H6 . . 110.0 ?
C23' O6 H6 . . 106.9 ?
Co1 O6 H6 . . 115.0 ?
O1 C1 C2 . . 124.7(4) ?
O1 C1 C10 . . 115.6(3) ?
C2 C1 C10 . . 119.7(3) ?
C3 C2 C1 . . 126.8(4) ?
C3 C2 H2 . . 116.6 ?
C1 C2 H2 . . 116.6 ?
O2 C3 C2 . . 122.5(4) ?
O2 C3 C4 . . 115.8(3) ?
C2 C3 C4 . . 121.7(3) ?
C9 C4 C5 . . 115.9(4) ?
C9 C4 C3 . . 123.8(4) ?
C5 C4 C3 . . 120.3(3) ?
O3 C5 C6 . . 117.3(4) ?
O3 C5 C4 . . 122.1(4) ?
C6 C5 C4 . . 120.6(4) ?
C7 C6 C5 . . 120.3(4) ?
C7 C6 H6A . . 119.8 ?
C5 C6 H6A . . 119.8 ?
C6 C7 C8 . . 121.0(4) ?
C6 C7 O4 . . 118.1(4) ?
C8 C7 O4 . . 120.6(4) ?
C9 C8 C7 . . 118.5(4) ?
C9 C8 H8 . . 120.7 ?
C7 C8 H8 . . 120.7 ?
C8 C9 C4 . . 123.5(4) ?
C8 C9 H9 . . 118.2 ?
C4 C9 H9 . . 118.2 ?
C11 C10 C15 . . 117.2(4) ?
C11 C10 C1 . . 119.0(4) ?
C15 C10 C1 . . 123.8(4) ?
C10 C11 C12 . . 121.0(4) ?
C10 C11 H11 . . 119.5 ?
C12 C11 H11 . . 119.5 ?
C13 C12 C11 . . 120.4(5) ?
C13 C12 H12 . . 119.8 ?
C11 C12 H12 . . 119.8 ?
C14 C13 C12 . . 118.6(4) ?
C14 C13 H13 . . 120.7 ?
C12 C13 H13 . . 120.7 ?
C13 C14 C15 . . 120.9(4) ?
C13 C14 H14 . . 119.5 ?
C15 C14 H14 . . 119.5 ?
C10 C15 C14 . . 121.7(4) ?
C10 C15 H15 . . 119.2 ?
C14 C15 H15 . . 119.2 ?
O5 C16 O4 . . 122.5(4) ?
O5 C16 C17 . . 126.1(5) ?
O4 C16 C17 . . 111.4(5) ?
C22 C17 C18 . . 119.1(4) ?
C22 C17 C16 . . 117.6(5) ?
C18 C17 C16 . . 123.3(4) ?
C19 C18 C17 . . 119.9(5) ?
C19 C18 H18 . . 120.0 ?
C17 C18 H18 . . 120.0 ?
C20 C19 C18 . . 120.2(5) ?
C20 C19 H19 . . 119.9 ?
C18 C19 H19 . . 119.9 ?
C19 C20 C21 . . 120.5(5) ?
C19 C20 H20 . . 119.7 ?
C21 C20 H20 . . 119.7 ?
C20 C21 C22 . . 119.6(5) ?
C20 C21 H21 . . 120.2 ?
C22 C21 H21 . . 120.2 ?
C21 C22 C17 . . 120.6(5) ?
C21 C22 H22 . . 119.7 ?
C17 C22 H22 . . 119.7 ?
O6 C23 C24 . . 108(2) ?
O6 C23 H23A . . 110.2 ?
C24 C23 H23A . . 110.2 ?
O6 C23 H23B . . 110.2 ?
C24 C23 H23B . . 110.2 ?
H23A C23 H23B . . 108.5 ?
C23 C24 H24A . . 109.5 ?
C23 C24 H24B . . 109.5 ?
H24A C24 H24B . . 109.5 ?
C23 C24 H24C . . 109.5 ?
H24A C24 H24C . . 109.5 ?
H24B C24 H24C . . 109.5 ?
O6 C23' C24' . . 116(4) ?
O6 C23' H23C . . 108.2 ?
C24' C23' H23C . . 108.2 ?
O6 C23' H23D . . 108.2 ?
C24' C23' H23D . . 108.2 ?
H23C C23' H23D . . 107.4 ?
C23' C24' H24D . . 109.5 ?
C23' C24' H24E . . 109.5 ?
H24D C24' H24E . . 109.5 ?
C23' C24' H24F . . 109.5 ?
H24D C24' H24F . . 109.5 ?
H24E C24' H24F . . 109.5 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Co1 O1 2_666 2.015(2) ?
Co1 O1 . 2.015(2) y
Co1 O2 2_666 2.033(3) ?
Co1 O2 . 2.033(3) y
Co1 O6 2_666 2.184(4) ?
Co1 O6 . 2.184(4) y
O1 C1 . 1.276(4) ?
O2 C3 . 1.299(4) ?
O3 C5 . 1.361(4) ?
O3 H3 . 0.8200 ?
O4 C16 . 1.360(5) ?
O4 C7 . 1.417(5) ?
O5 C16 . 1.202(5) ?
O6 C23 . 1.405(13) ?
O6 C23' . 1.43(2) ?
O6 H6 . 0.8500 ?
C1 C2 . 1.406(5) ?
C1 C10 . 1.514(5) ?
C2 C3 . 1.397(5) ?
C2 H2 . 0.9300 ?
C3 C4 . 1.490(5) ?
C4 C9 . 1.397(5) ?
C4 C5 . 1.425(5) ?
C5 C6 . 1.392(5) ?
C6 C7 . 1.366(6) ?
C6 H6A . 0.9300 ?
C7 C8 . 1.384(6) ?
C8 C9 . 1.375(5) ?
C8 H8 . 0.9300 ?
C9 H9 . 0.9300 ?
C10 C11 . 1.374(5) ?
C10 C15 . 1.375(5) ?
C11 C12 . 1.391(6) ?
C11 H11 . 0.9300 ?
C12 C13 . 1.373(6) ?
C12 H12 . 0.9300 ?
C13 C14 . 1.352(6) ?
C13 H13 . 0.9300 ?
C14 C15 . 1.376(6) ?
C14 H14 . 0.9300 ?
C15 H15 . 0.9300 ?
C16 C17 . 1.495(6) ?
C17 C22 . 1.382(6) ?
C17 C18 . 1.388(6) ?
C18 C19 . 1.379(6) ?
C18 H18 . 0.9300 ?
C19 C20 . 1.368(7) ?
C19 H19 . 0.9300 ?
C20 C21 . 1.371(7) ?
C20 H20 . 0.9300 ?
C21 C22 . 1.379(6) ?
C21 H21 . 0.9300 ?
C22 H22 . 0.9300 ?
C23 C24 . 1.50(5) ?
C23 H23A . 0.9700 ?
C23 H23B . 0.9700 ?
C24 H24A . 0.9600 ?
C24 H24B . 0.9600 ?
C24 H24C . 0.9600 ?
C23' C24' . 1.51(8) ?
C23' H23C . 0.9700 ?
C23' H23D . 0.9700 ?
C24' H24D . 0.9600 ?
C24' H24E . 0.9600 ?
C24' H24F . 0.9600 ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
O3 H3 O2 . 0.82 1.76 2.489(4) 147
O6 H6 O3 2_566 0.85 2.02 2.855(4) 168
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
O1 Co1 O1 C1 2_666 . . . -8E1(10) ?
O2 Co1 O1 C1 2_666 . . . 165.4(4) ?
O2 Co1 O1 C1 . . . . -14.6(4) ?
O6 Co1 O1 C1 2_666 . . . 75.9(4) ?
O6 Co1 O1 C1 . . . . -104.1(4) ?
O1 Co1 O2 C3 2_666 . . . -164.3(4) ?
O1 Co1 O2 C3 . . . . 15.7(4) ?
O2 Co1 O2 C3 2_666 . . . 11E1(10) ?
O6 Co1 O2 C3 2_666 . . . -69.8(4) ?
O6 Co1 O2 C3 . . . . 110.2(4) ?
O1 Co1 O6 C23 2_666 . . . -172.1(11) ?
O1 Co1 O6 C23 . . . . 7.9(11) ?
O2 Co1 O6 C23 2_666 . . . 99.5(11) ?
O2 Co1 O6 C23 . . . . -80.5(11) ?
O6 Co1 O6 C23 2_666 . . . -2E1(10) ?
O1 Co1 O6 C23' 2_666 . . . 133(2) ?
O1 Co1 O6 C23' . . . . -47(2) ?
O2 Co1 O6 C23' 2_666 . . . 45(2) ?
O2 Co1 O6 C23' . . . . -135(2) ?
O6 Co1 O6 C23' 2_666 . . . -7E1(10) ?
Co1 O1 C1 C2 . . . . 8.8(7) ?
Co1 O1 C1 C10 . . . . -173.2(3) ?
O1 C1 C2 C3 . . . . 3.0(8) ?
C10 C1 C2 C3 . . . . -175.0(4) ?
Co1 O2 C3 C2 . . . . -10.7(6) ?
Co1 O2 C3 C4 . . . . 168.4(3) ?
C1 C2 C3 O2 . . . . -1.9(8) ?
C1 C2 C3 C4 . . . . 179.0(4) ?
O2 C3 C4 C9 . . . . 178.0(4) ?
C2 C3 C4 C9 . . . . -3.0(7) ?
O2 C3 C4 C5 . . . . -2.6(6) ?
C2 C3 C4 C5 . . . . 176.4(4) ?
C9 C4 C5 O3 . . . . -177.8(4) ?
C3 C4 C5 O3 . . . . 2.7(7) ?
C9 C4 C5 C6 . . . . 2.8(7) ?
C3 C4 C5 C6 . . . . -176.6(4) ?
O3 C5 C6 C7 . . . . 179.4(4) ?
C4 C5 C6 C7 . . . . -1.2(7) ?
C5 C6 C7 C8 . . . . -2.0(8) ?
C5 C6 C7 O4 . . . . 171.8(4) ?
C16 O4 C7 C6 . . . . 113.6(5) ?
C16 O4 C7 C8 . . . . -72.5(6) ?
C6 C7 C8 C9 . . . . 3.4(8) ?
O4 C7 C8 C9 . . . . -170.3(4) ?
C7 C8 C9 C4 . . . . -1.6(8) ?
C5 C4 C9 C8 . . . . -1.5(7) ?
C3 C4 C9 C8 . . . . 178.0(4) ?
O1 C1 C10 C11 . . . . -5.6(7) ?
C2 C1 C10 C11 . . . . 172.5(5) ?
O1 C1 C10 C15 . . . . 172.3(5) ?
C2 C1 C10 C15 . . . . -9.5(7) ?
C15 C10 C11 C12 . . . . 3.6(8) ?
C1 C10 C11 C12 . . . . -178.3(5) ?
C10 C11 C12 C13 . . . . -0.2(9) ?
C11 C12 C13 C14 . . . . -3.1(10) ?
C12 C13 C14 C15 . . . . 2.9(10) ?
C11 C10 C15 C14 . . . . -3.9(8) ?
C1 C10 C15 C14 . . . . 178.1(5) ?
C13 C14 C15 C10 . . . . 0.7(9) ?
C7 O4 C16 O5 . . . . -1.4(7) ?
C7 O4 C16 C17 . . . . -179.9(3) ?
O5 C16 C17 C22 . . . . -9.3(7) ?
O4 C16 C17 C22 . . . . 169.2(4) ?
O5 C16 C17 C18 . . . . 172.5(5) ?
O4 C16 C17 C18 . . . . -9.0(6) ?
C22 C17 C18 C19 . . . . -0.3(7) ?
C16 C17 C18 C19 . . . . 177.9(4) ?
C17 C18 C19 C20 . . . . -0.7(7) ?
C18 C19 C20 C21 . . . . 0.3(8) ?
C19 C20 C21 C22 . . . . 1.2(8) ?
C20 C21 C22 C17 . . . . -2.2(8) ?
C18 C17 C22 C21 . . . . 1.7(7) ?
C16 C17 C22 C21 . . . . -176.6(4) ?
C23' O6 C23 C24 . . . . 40(2) ?
Co1 O6 C23 C24 . . . . -79(2) ?
C23 O6 C23' C24' . . . . -40(4) ?
Co1 O6 C23' C24' . . . . 59(5) ?
