#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/36/1513638.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_1513638
loop_
_publ_author_name
'Wei, Zheng'
'Han, Haixiang'
'Filatov, Alexander S.'
'Dikarev, Evgeny V.'
_publ_section_title
;
 Changing the bridging connectivity pattern within a heterometallic
 assembly: design of single-source precursors with discrete molecular
 structures
;
_journal_issue                   2
_journal_name_full               'Chemical Science'
_journal_page_first              813
_journal_paper_doi               10.1039/c3sc52657g
_journal_volume                  5
_journal_year                    2014
_chemical_formula_moiety         'C48 H78 Co3 O18'
_chemical_formula_sum            'C48 H78 Co3 O18'
_chemical_formula_weight         1119.89
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 100.9190(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   9.7761(11)
_cell_length_b                   16.9962(19)
_cell_length_c                   17.5593(19)
_cell_measurement_reflns_used    9920
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.79
_cell_measurement_theta_min      2.36
_cell_volume                     2864.8(6)
_computing_cell_refinement       'SAINT Ver. 6.22  (Bruker-AXS, 2003)'
_computing_data_collection       'SMART Ver. 5.622 (Bruker-AXS, 2003)'
_computing_data_reduction        'SAINT Ver. 6.22'
_computing_molecular_graphics    'SHELXTL Ver. 6.14'
_computing_publication_material  'SHELXTL Ver. 6.14'
_computing_structure_refinement  'SHELXTL Ver. 6.14'
_computing_structure_solution    'SHELXTL Ver. 6.14 (Bruker-AXS, 2003)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.971
_diffrn_measurement_device_type  'Bruker SMART APEX CCD area-detector'
_diffrn_measurement_method       '0.30° ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           Mo-K\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0351
_diffrn_reflns_av_sigmaI/netI    0.0219
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            51810
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         27.92
_diffrn_reflns_theta_min         1.68
_exptl_absorpt_coefficient_mu    0.923
_exptl_absorpt_correction_T_max  0.8895
_exptl_absorpt_correction_T_min  0.8740
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS  (Bruker-AXS, 2003)
;
_exptl_crystal_colour            pink
_exptl_crystal_density_diffrn    1.298
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       cube
_exptl_crystal_F_000             1182
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.13
_refine_diff_density_max         0.876
_refine_diff_density_min         -0.244
_refine_diff_density_rms         0.063
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.057
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     325
_refine_ls_number_reflns         6666
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.057
_refine_ls_R_factor_all          0.0383
_refine_ls_R_factor_gt           0.0321
_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)+(0.0494P)²+0.5227P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0812
_refine_ls_wR_factor_ref         0.0840
_reflns_number_gt                5764
_reflns_number_total             6666
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            c3sc52657g.txt
_cod_data_source_block           Co3(tbaoac)6
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/automatic-downloads/current/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 
;
_cod_original_sg_symbol_Hall     '-P 2yn      '
_cod_original_sg_symbol_H-M      'P 1 21/n 1  '
_cod_database_code               1513638
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Co1 Co 0.0000 1.0000 0.0000 0.01580(8) Uani 1 2 d S
Co2 Co 0.134439(19) 0.931154(11) 0.141420(11) 0.01786(7) Uani 1 1 d .
O1 O 0.00326(10) 0.88507(6) 0.04417(6) 0.0193(2) Uani 1 1 d .
O2 O 0.25239(11) 0.83122(6) 0.14434(6) 0.0264(2) Uani 1 1 d .
O3 O 0.32693(13) 0.71668(7) 0.10305(7) 0.0333(3) Uani 1 1 d .
O4 O 0.21016(10) 0.99116(6) 0.05538(6) 0.0190(2) Uani 1 1 d .
O5 O 0.28990(11) 0.98079(7) 0.22239(6) 0.0237(2) Uani 1 1 d .
O6 O 0.49616(11) 1.04009(7) 0.26522(6) 0.0289(3) Uani 1 1 d .
O7 O -0.01237(10) 1.02094(6) 0.11647(6) 0.0184(2) Uani 1 1 d .
O8 O 0.03725(11) 0.89718(6) 0.22867(6) 0.0237(2) Uani 1 1 d .
O9 O -0.12402(11) 0.89402(7) 0.30429(6) 0.0282(3) Uani 1 1 d .
C1 C -0.10214(17) 0.79738(10) -0.05531(9) 0.0280(3) Uani 1 1 d .
H1A H -0.1905 0.7924 -0.0371 0.042 Uiso 1 1 calc R
H1B H -0.0810 0.7477 -0.0789 0.042 Uiso 1 1 calc R
H1C H -0.1097 0.8396 -0.0939 0.042 Uiso 1 1 calc R
C2 C 0.01299(15) 0.81658(9) 0.01233(8) 0.0207(3) Uani 1 1 d .
C3 C 0.11700(17) 0.76295(9) 0.03643(9) 0.0251(3) Uani 1 1 d .
H3 H 0.1115 0.7139 0.0101 0.030 Uiso 1 1 calc R
C4 C 0.23327(16) 0.77537(9) 0.09836(9) 0.0245(3) Uani 1 1 d .
C5 C 0.45487(19) 0.71647(12) 0.16313(11) 0.0393(4) Uani 1 1 d .
C6 C 0.5251(2) 0.64026(15) 0.14462(13) 0.0587(7) Uani 1 1 d .
H6A H 0.4629 0.5957 0.1479 0.088 Uiso 1 1 calc R
H6B H 0.6123 0.6330 0.1820 0.088 Uiso 1 1 calc R
H6C H 0.5452 0.6433 0.0921 0.088 Uiso 1 1 calc R
C7 C 0.4169(2) 0.71049(14) 0.24289(11) 0.0481(5) Uani 1 1 d .
H7A H 0.3673 0.7582 0.2533 0.072 Uiso 1 1 calc R
H7B H 0.5020 0.7048 0.2822 0.072 Uiso 1 1 calc R
H7C H 0.3569 0.6646 0.2446 0.072 Uiso 1 1 calc R
C8 C 0.5455(2) 0.78692(15) 0.15418(14) 0.0556(6) Uani 1 1 d .
H8A H 0.5617 0.7892 0.1008 0.083 Uiso 1 1 calc R
H8B H 0.6349 0.7820 0.1901 0.083 Uiso 1 1 calc R
H8C H 0.4986 0.8352 0.1658 0.083 Uiso 1 1 calc R
C9 C -0.21092(15) 1.10129(9) 0.11708(9) 0.0222(3) Uani 1 1 d .
H9A H -0.1532 1.1486 0.1181 0.033 Uiso 1 1 calc R
H9B H -0.2817 1.1099 0.1490 0.033 Uiso 1 1 calc R
H9C H -0.2567 1.0901 0.0635 0.033 Uiso 1 1 calc R
C10 C -0.12055(14) 1.03256(8) 0.14870(8) 0.0182(3) Uani 1 1 d .
C11 C -0.15281(15) 0.98885(9) 0.20842(9) 0.0213(3) Uani 1 1 d .
H11 H -0.2351 1.0021 0.2269 0.026 Uiso 1 1 calc R
C12 C -0.07104(15) 0.92447(9) 0.24497(9) 0.0216(3) Uani 1 1 d .
C13 C -0.04643(18) 0.83343(11) 0.35559(11) 0.0362(4) Uani 1 1 d .
C14 C -0.0260(2) 0.75952(12) 0.31055(14) 0.0513(5) Uani 1 1 d .
H14A H -0.1155 0.7433 0.2792 0.077 Uiso 1 1 calc R
H14B H 0.0101 0.7173 0.3469 0.077 Uiso 1 1 calc R
H14C H 0.0405 0.7702 0.2765 0.077 Uiso 1 1 calc R
C15 C 0.0902(2) 0.86809(14) 0.39846(11) 0.0476(5) Uani 1 1 d .
H15A H 0.1532 0.8764 0.3619 0.071 Uiso 1 1 calc R
H15B H 0.1334 0.8317 0.4393 0.071 Uiso 1 1 calc R
H15C H 0.0720 0.9185 0.4218 0.071 Uiso 1 1 calc R
C16 C -0.1446(2) 0.81667(14) 0.41138(12) 0.0486(5) Uani 1 1 d .
H16A H -0.1598 0.8651 0.4389 0.073 Uiso 1 1 calc R
H16B H -0.1033 0.7766 0.4489 0.073 Uiso 1 1 calc R
H16C H -0.2339 0.7976 0.3822 0.073 Uiso 1 1 calc R
C17 C 0.35357(16) 1.07246(9) -0.00786(9) 0.0246(3) Uani 1 1 d .
H17A H 0.3850 1.0319 -0.0403 0.037 Uiso 1 1 calc R
H17B H 0.4272 1.1119 0.0064 0.037 Uiso 1 1 calc R
H17C H 0.2696 1.0979 -0.0367 0.037 Uiso 1 1 calc R
C18 C 0.32131(15) 1.03510(9) 0.06457(9) 0.0196(3) Uani 1 1 d .
C19 C 0.40975(15) 1.04730(9) 0.13410(9) 0.0238(3) Uani 1 1 d .
H19 H 0.4913 1.0773 0.1331 0.029 Uiso 1 1 calc R
C20 C 0.39043(15) 1.01902(9) 0.20797(9) 0.0222(3) Uani 1 1 d .
C21 C 0.49931(17) 1.01632(11) 0.34659(9) 0.0298(4) Uani 1 1 d .
C22 C 0.3770(2) 1.05192(13) 0.37592(11) 0.0432(5) Uani 1 1 d .
H22A H 0.3738 1.1087 0.3660 0.065 Uiso 1 1 calc R
H22B H 0.3878 1.0425 0.4318 0.065 Uiso 1 1 calc R
H22C H 0.2904 1.0276 0.3490 0.065 Uiso 1 1 calc R
C23 C 0.5052(2) 0.92767(11) 0.35388(11) 0.0385(4) Uani 1 1 d .
H23A H 0.4161 0.9052 0.3282 0.058 Uiso 1 1 calc R
H23B H 0.5234 0.9130 0.4088 0.058 Uiso 1 1 calc R
H23C H 0.5801 0.9074 0.3293 0.058 Uiso 1 1 calc R
C24 C 0.6360(2) 1.05264(15) 0.38808(11) 0.0499(6) Uani 1 1 d .
H24A H 0.7134 1.0309 0.3666 0.075 Uiso 1 1 calc R
H24B H 0.6498 1.0406 0.4436 0.075 Uiso 1 1 calc R
H24C H 0.6325 1.1098 0.3807 0.075 Uiso 1 1 calc R
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
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Co1 O1 180.0 . 3_575 yes
O1 Co1 O7 78.33(4) . . yes
O1 Co1 O7 101.67(4) 3_575 . yes
O1 Co1 O7 101.67(4) . 3_575 yes
O1 Co1 O7 78.33(4) 3_575 3_575 yes
O7 Co1 O7 180.0 . 3_575 yes
O1 Co1 O4 79.50(4) . . yes
O1 Co1 O4 100.50(4) 3_575 . yes
O7 Co1 O4 78.09(4) . . yes
O7 Co1 O4 101.91(4) 3_575 . yes
O1 Co1 O4 100.50(4) . 3_575 yes
O1 Co1 O4 79.50(4) 3_575 3_575 yes
O7 Co1 O4 101.91(4) . 3_575 yes
O7 Co1 O4 78.09(4) 3_575 3_575 yes
O4 Co1 O4 180.0 . 3_575 yes
O1 Co1 Co2 132.85(3) . 3_575 yes
O1 Co1 Co2 47.15(3) 3_575 3_575 yes
O7 Co1 Co2 132.87(3) . 3_575 yes
O7 Co1 Co2 47.14(3) 3_575 3_575 yes
O4 Co1 Co2 133.19(3) . 3_575 yes
O4 Co1 Co2 46.81(3) 3_575 3_575 yes
O1 Co1 Co2 47.15(3) . . yes
O1 Co1 Co2 132.85(3) 3_575 . yes
O7 Co1 Co2 47.13(3) . . yes
O7 Co1 Co2 132.86(3) 3_575 . yes
O4 Co1 Co2 46.81(3) . . yes
O4 Co1 Co2 133.19(3) 3_575 . yes
Co2 Co1 Co2 180.0 3_575 . yes
O8 Co2 O2 94.99(4) . . yes
O8 Co2 O5 89.15(4) . . yes
O2 Co2 O5 89.09(4) . . yes
O8 Co2 O4 166.28(4) . . yes
O2 Co2 O4 98.58(4) . . yes
O5 Co2 O4 89.02(4) . . yes
O8 Co2 O7 87.98(4) . . yes
O2 Co2 O7 167.07(4) . . yes
O5 Co2 O7 103.56(4) . . yes
O4 Co2 O7 79.24(4) . . yes
O8 Co2 O1 101.99(4) . . yes
O2 Co2 O1 87.99(4) . . yes
O5 Co2 O1 168.68(4) . . yes
O4 Co2 O1 80.62(4) . . yes
O7 Co2 O1 79.08(4) . . yes
O8 Co2 Co1 124.91(3) . . yes
O2 Co2 Co1 122.00(3) . . yes
O5 Co2 Co1 126.60(3) . . yes
O4 Co2 Co1 47.79(3) . . yes
O7 Co2 Co1 47.67(3) . . yes
O1 Co2 Co1 47.61(3) . . yes
C2 O1 Co2 127.14(9) . . ?
C2 O1 Co1 132.07(9) . . ?
Co2 O1 Co1 85.24(4) . . ?
C4 O2 Co2 127.24(10) . . ?
C4 O3 C5 121.34(14) . . ?
C18 O4 Co2 126.61(9) . . ?
C18 O4 Co1 137.24(9) . . ?
Co2 O4 Co1 85.40(4) . . ?
C20 O5 Co2 125.66(10) . . ?
C20 O6 C21 121.39(12) . . ?
C10 O7 Co2 127.01(9) . . ?
C10 O7 Co1 130.39(9) . . ?
Co2 O7 Co1 85.20(4) . . ?
C12 O8 Co2 127.59(10) . . ?
C12 O9 C13 120.58(12) . . ?
C2 C1 H1A 109.5 . . ?
C2 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
C2 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
O1 C2 C3 124.86(14) . . ?
O1 C2 C1 115.26(13) . . ?
C3 C2 C1 119.87(14) . . ?
C2 C3 C4 124.88(14) . . ?
C2 C3 H3 117.6 . . ?
C4 C3 H3 117.6 . . ?
O2 C4 O3 120.78(15) . . ?
O2 C4 C3 127.49(14) . . ?
O3 C4 C3 111.72(14) . . ?
O3 C5 C8 110.93(14) . . ?
O3 C5 C7 109.72(15) . . ?
C8 C5 C7 113.47(19) . . ?
O3 C5 C6 101.78(17) . . ?
C8 C5 C6 110.61(18) . . ?
C7 C5 C6 109.71(16) . . ?
C5 C6 H6A 109.5 . . ?
C5 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C5 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C5 C7 H7A 109.5 . . ?
C5 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C5 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C5 C8 H8A 109.5 . . ?
C5 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C5 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C10 C9 H9A 109.5 . . ?
C10 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C10 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
O7 C10 C11 124.93(13) . . ?
O7 C10 C9 115.11(12) . . ?
C11 C10 C9 119.93(13) . . ?
C10 C11 C12 124.55(14) . . ?
C10 C11 H11 117.7 . . ?
C12 C11 H11 117.7 . . ?
O8 C12 O9 120.29(14) . . ?
O8 C12 C11 127.68(14) . . ?
O9 C12 C11 112.02(13) . . ?
O9 C13 C14 111.21(15) . . ?
O9 C13 C15 109.41(15) . . ?
C14 C13 C15 112.86(17) . . ?
O9 C13 C16 102.06(13) . . ?
C14 C13 C16 109.97(17) . . ?
C15 C13 C16 110.81(17) . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C13 C15 H15A 109.5 . . ?
C13 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C13 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C13 C16 H16A 109.5 . . ?
C13 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C13 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C18 C17 H17A 109.5 . . ?
C18 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C18 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
O4 C18 C19 124.55(14) . . ?
O4 C18 C17 116.09(13) . . ?
C19 C18 C17 119.34(13) . . ?
C18 C19 C20 125.99(14) . . ?
C18 C19 H19 117.0 . . ?
C20 C19 H19 117.0 . . ?
O5 C20 O6 120.76(14) . . ?
O5 C20 C19 127.31(14) . . ?
O6 C20 C19 111.92(13) . . ?
O6 C21 C23 110.32(14) . . ?
O6 C21 C22 110.24(14) . . ?
C23 C21 C22 112.92(16) . . ?
O6 C21 C24 101.93(13) . . ?
C23 C21 C24 110.28(17) . . ?
C22 C21 C24 110.62(16) . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C21 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C21 C23 H23A 109.5 . . ?
C21 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C21 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C21 C24 H24A 109.5 . . ?
C21 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C21 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
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 O1 2.0997(10) . yes
Co1 O1 2.0997(10) 3_575 yes
Co1 O7 2.1018(10) . yes
Co1 O7 2.1018(10) 3_575 yes
Co1 O4 2.1053(10) . yes
Co1 O4 2.1053(10) 3_575 yes
Co1 Co2 2.8331(3) 3_575 yes
Co1 Co2 2.8331(3) . yes
Co2 O8 2.0334(10) . yes
Co2 O2 2.0481(11) . yes
Co2 O5 2.0553(11) . yes
Co2 O4 2.0723(10) . yes
Co2 O7 2.0838(10) . yes
Co2 O1 2.0843(10) . yes
O1 C2 1.3027(18) . ?
O2 C4 1.237(2) . ?
O3 C4 1.3460(18) . ?
O3 C5 1.476(2) . ?
O4 C18 1.3031(17) . ?
O5 C20 1.2435(19) . ?
O6 C20 1.3467(18) . ?
O6 C21 1.4796(19) . ?
O7 C10 1.3055(17) . ?
O8 C12 1.2380(18) . ?
O9 C12 1.3511(18) . ?
O9 C13 1.4794(19) . ?
C1 C2 1.509(2) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C2 C3 1.371(2) . ?
C3 C4 1.432(2) . ?
C3 H3 0.9500 . ?
C5 C8 1.515(3) . ?
C5 C7 1.519(3) . ?
C5 C6 1.530(3) . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 C10 1.506(2) . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 C11 1.370(2) . ?
C11 C12 1.433(2) . ?
C11 H11 0.9500 . ?
C13 C14 1.518(3) . ?
C13 C15 1.522(3) . ?
C13 C16 1.522(2) . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 C18 1.507(2) . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 C19 1.372(2) . ?
C19 C20 1.429(2) . ?
C19 H19 0.9500 . ?
C21 C23 1.512(3) . ?
C21 C22 1.514(3) . ?
C21 C24 1.526(2) . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
