#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/36/1513636.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_1513636
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 Co2 Li2 O18'
_chemical_formula_sum            'C48 H78 Co2 Li2 O18'
_chemical_formula_weight         1074.84
_chemical_name_systematic
; 
 ? 
;
_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'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                104.286(2)
_cell_angle_beta                 107.918(2)
_cell_angle_gamma                110.038(2)
_cell_formula_units_Z            1
_cell_length_a                   11.333(2)
_cell_length_b                   12.275(2)
_cell_length_c                   12.460(2)
_cell_measurement_reflns_used    6904
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.62
_cell_measurement_theta_min      2.72
_cell_volume                     1424.1(4)
_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 0.994
_diffrn_measured_fraction_theta_max 0.953
_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  0.0180
_diffrn_reflns_av_sigmaI/netI    0.0247
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            15022
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         27.91
_diffrn_reflns_theta_min         1.87
_exptl_absorpt_coefficient_mu    0.647
_exptl_absorpt_correction_T_max  0.9382
_exptl_absorpt_correction_T_min  0.8198
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS  (Bruker-AXS, 2003)
;
_exptl_crystal_colour            pink
_exptl_crystal_density_diffrn    1.253
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             570
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.506
_refine_diff_density_min         -0.724
_refine_diff_density_rms         0.079
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.063
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     328
_refine_ls_number_reflns         6493
_refine_ls_number_restraints     24
_refine_ls_restrained_S_all      1.064
_refine_ls_R_factor_all          0.0550
_refine_ls_R_factor_gt           0.0492
_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)+(0.0909P)²+0.8553P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1439
_refine_ls_wR_factor_ref         0.1486
_reflns_number_gt                5646
_reflns_number_total             6493
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            c3sc52657g.txt
_cod_data_source_block           LiCo(tbaoac)3
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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_cell_volume        1424.2(5)
_cod_original_sg_symbol_Hall     '-P 1        '
_cod_original_sg_symbol_H-M      'P -1        '
_cod_database_code               1513636
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
Co1 Co -0.09496(3) 0.85378(2) -0.02463(2) 0.02420(11) Uani 1 1 d .
Li1 Li 0.1534(4) 0.9366(4) -0.0686(4) 0.0341(8) Uani 1 1 d .
O1 O -0.1014(2) 0.64500(19) 0.19837(19) 0.0476(5) Uani 1 1 d .
O2 O -0.12727(18) 0.76582(15) 0.09208(15) 0.0321(4) Uani 1 1 d .
O3 O 0.07076(16) 0.81831(14) -0.00702(14) 0.0278(3) Uani 1 1 d .
O4 O -0.01605(16) 0.95970(14) -0.12217(13) 0.0259(3) Uani 1 1 d .
O5 O 0.1723(2) 0.89731(19) -0.21251(17) 0.0436(4) Uani 1 1 d .
O6 O 0.1092(3) 0.8709(3) -0.4102(2) 0.0624(6) Uani 1 1 d .
O7 O 0.25955(16) 1.10901(14) 0.04395(15) 0.0293(3) Uani 1 1 d .
O8 O 0.22687(16) 1.31175(14) 0.17805(15) 0.0308(3) Uani 1 1 d .
O9 O 0.43267(17) 1.47787(15) 0.31404(16) 0.0364(4) Uani 1 1 d .
C1 C 0.1918(3) 0.6952(3) -0.0082(3) 0.0512(7) Uani 1 1 d .
H1A H 0.1661 0.6738 -0.0960 0.077 Uiso 1 1 calc R
H1B H 0.1920 0.6225 0.0109 0.077 Uiso 1 1 calc R
H1C H 0.2849 0.7670 0.0393 0.077 Uiso 1 1 calc R
C2 C 0.0878(3) 0.7297(2) 0.0243(2) 0.0334(5) Uani 1 1 d .
C3 C 0.0232(3) 0.6708(3) 0.0844(3) 0.0412(6) Uani 1 1 d .
H3 H 0.0439 0.6069 0.1025 0.049 Uiso 1 1 calc R
C4 C -0.0732(3) 0.6989(2) 0.1216(2) 0.0371(5) Uani 1 1 d .
C5 C -0.2087(3) 0.6519(3) 0.2394(3) 0.0482(7) Uani 1 1 d .
C6 C -0.1780(4) 0.7862(3) 0.3066(3) 0.0610(9) Uani 1 1 d .
H6A H -0.0799 0.8344 0.3660 0.091 Uiso 1 1 calc R
H6B H -0.2371 0.7862 0.3499 0.091 Uiso 1 1 calc R
H6C H -0.1972 0.8249 0.2476 0.091 Uiso 1 1 calc R
C7 C -0.3452(4) 0.5802(3) 0.1305(3) 0.0547(8) Uani 1 1 d .
H7A H -0.3472 0.6227 0.0734 0.082 Uiso 1 1 calc R
H7B H -0.4195 0.5759 0.1564 0.082 Uiso 1 1 calc R
H7C H -0.3591 0.4946 0.0897 0.082 Uiso 1 1 calc R
C8 C -0.1967(4) 0.5852(3) 0.3283(3) 0.0604(8) Uani 1 1 d .
H8A H -0.2071 0.5013 0.2864 0.091 Uiso 1 1 calc R
H8B H -0.2699 0.5767 0.3565 0.091 Uiso 1 1 calc R
H8C H -0.1053 0.6349 0.3990 0.091 Uiso 1 1 calc R
C9 C -0.2134(3) 0.9511(3) -0.2746(2) 0.0382(5) Uani 1 1 d .
H9A H -0.2782 0.8949 -0.2526 0.057 Uiso 1 1 calc R
H9B H -0.2561 0.9288 -0.3633 0.057 Uiso 1 1 calc R
H9C H -0.1917 1.0386 -0.2308 0.057 Uiso 1 1 calc R
C10 C -0.0822(3) 0.9371(2) -0.2398(2) 0.0316(5) Uani 1 1 d .
C11 C -0.0366(3) 0.9050(3) -0.3265(2) 0.0417(6) Uani 1 1 d .
H11 H -0.0933 0.8898 -0.4080 0.050 Uiso 1 1 calc R
C12 C 0.0891(3) 0.8916(3) -0.3067(3) 0.0448(6) Uani 1 1 d .
C13 C 0.2345(5) 0.8581(4) -0.4074(4) 0.0705(10) Uani 1 1 d U
C14 C 0.2188(8) 0.8417(8) -0.5353(6) 0.130(2) Uani 1 1 d U
H14A H 0.2984 0.8333 -0.5446 0.195 Uiso 1 1 calc R
H14B H 0.2151 0.9155 -0.5503 0.195 Uiso 1 1 calc R
H14C H 0.1327 0.7657 -0.5945 0.195 Uiso 1 1 calc R
C15 C 0.3659(6) 0.9823(6) -0.3293(7) 0.122(2) Uani 1 1 d U
H15A H 0.3834 1.0049 -0.2429 0.182 Uiso 1 1 calc R
H15B H 0.3541 1.0486 -0.3551 0.182 Uiso 1 1 calc R
H15C H 0.4449 0.9735 -0.3396 0.182 Uiso 1 1 calc R
C16 C 0.2309(8) 0.7471(6) -0.3832(6) 0.124(2) Uani 1 1 d U
H16A H 0.2374 0.7597 -0.3003 0.185 Uiso 1 1 calc R
H16B H 0.3094 0.7338 -0.3895 0.185 Uiso 1 1 calc R
H16C H 0.1434 0.6730 -0.4433 0.185 Uiso 1 1 calc R
C17 C 0.4871(3) 1.1441(3) 0.0760(4) 0.0729(12) Uani 1 1 d .
H17A H 0.4800 1.0716 0.0981 0.109 Uiso 1 1 calc R
H17B H 0.5826 1.2120 0.1230 0.109 Uiso 1 1 calc R
H17C H 0.4627 1.1189 -0.0119 0.109 Uiso 1 1 calc R
C18 C 0.3887(2) 1.1899(2) 0.1050(2) 0.0362(5) Uani 1 1 d .
C19 C 0.4402(2) 1.3085(2) 0.1913(2) 0.0376(5) Uani 1 1 d .
H19 H 0.5384 1.3585 0.2324 0.045 Uiso 1 1 calc R
C20 C 0.3556(2) 1.3619(2) 0.2235(2) 0.0295(5) Uani 1 1 d .
C21 C 0.3666(3) 1.5539(2) 0.3544(2) 0.0416(6) Uani 1 1 d .
C22 C 0.2752(4) 1.4925(3) 0.4096(3) 0.0632(9) Uani 1 1 d .
H22A H 0.1925 1.4167 0.3448 0.095 Uiso 1 1 calc R
H22B H 0.2465 1.5518 0.4490 0.095 Uiso 1 1 calc R
H22C H 0.3270 1.4689 0.4708 0.095 Uiso 1 1 calc R
C23 C 0.2938(4) 1.5815(3) 0.2489(3) 0.0692(11) Uani 1 1 d .
H23A H 0.3605 1.6228 0.2196 0.104 Uiso 1 1 calc R
H23B H 0.2551 1.6372 0.2763 0.104 Uiso 1 1 calc R
H23C H 0.2185 1.5023 0.1822 0.104 Uiso 1 1 calc R
C24 C 0.4917(4) 1.6751(3) 0.4538(3) 0.0568(8) Uani 1 1 d .
H24A H 0.5434 1.6557 0.5192 0.085 Uiso 1 1 calc R
H24B H 0.4597 1.7341 0.4880 0.085 Uiso 1 1 calc R
H24C H 0.5526 1.7134 0.4184 0.085 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'
Li Li -0.0003 0.0001 '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
O7 Co1 O3 178.99(6) 2_575 . yes
O7 Co1 O2 92.93(7) 2_575 . yes
O3 Co1 O2 88.07(7) . . yes
O7 Co1 O8 88.04(6) 2_575 2_575 yes
O3 Co1 O8 92.02(6) . 2_575 yes
O2 Co1 O8 92.33(7) . 2_575 yes
O7 Co1 O4 96.69(6) 2_575 . yes
O3 Co1 O4 82.30(6) . . yes
O2 Co1 O4 168.01(6) . . yes
O8 Co1 O4 95.13(6) 2_575 . yes
O7 Co1 O4 82.19(6) 2_575 2_575 yes
O3 Co1 O4 97.66(6) . 2_575 yes
O2 Co1 O4 92.70(6) . 2_575 yes
O8 Co1 O4 169.22(6) 2_575 2_575 yes
O4 Co1 O4 81.57(6) . 2_575 yes
O7 Co1 Li1 138.48(9) 2_575 . yes
O2 Co1 Li1 126.62(10) . . yes
O8 Co1 Li1 100.89(10) 2_575 . yes
O4 Co1 Li1 83.66(9) 2_575 . yes
O7 Co1 Li1 40.40(9) 2_575 2_575 yes
O3 Co1 Li1 139.30(9) . 2_575 yes
O2 Co1 Li1 99.11(10) . 2_575 yes
O8 Co1 Li1 127.26(10) 2_575 2_575 yes
O4 Co1 Li1 83.80(9) . 2_575 yes
Li1 Co1 Li1 111.97(9) . 2_575 yes
O5 Li1 O3 125.7(2) . . yes
O5 Li1 O7 116.4(2) . . yes
O3 Li1 O7 116.5(2) . . yes
O5 Li1 O4 100.5(2) . . yes
O3 Li1 O4 90.32(17) . . yes
O7 Li1 O4 90.67(18) . . yes
O5 Li1 C12 22.93(11) . . yes
O3 Li1 C12 125.5(2) . . yes
O7 Li1 C12 116.6(2) . . yes
O4 Li1 C12 77.52(16) . . yes
O5 Li1 Co1 130.2(2) . . yes
O3 Li1 Co1 43.78(9) . . yes
O7 Li1 Co1 102.77(17) . . yes
O4 Li1 Co1 47.42(9) . . yes
C12 Li1 Co1 111.81(16) . . yes
O5 Li1 Co1 123.0(2) . 2_575 yes
O3 Li1 Co1 103.55(17) . 2_575 yes
C12 Li1 Co1 105.99(15) . 2_575 yes
Co1 Li1 Co1 68.03(9) . 2_575 yes
C4 O1 C5 121.2(2) . . ?
C4 O2 Co1 125.41(16) . . ?
C2 O3 Li1 138.73(19) . . ?
C2 O3 Co1 125.13(15) . . ?
Li1 O3 Co1 95.69(14) . . ?
C10 O4 Li1 118.91(19) . . ?
C10 O4 Co1 125.97(14) . . ?
Li1 O4 Co1 90.05(13) . . ?
C10 O4 Co1 123.87(14) . 2_575 ?
Li1 O4 Co1 89.79(13) . 2_575 ?
Co1 O4 Co1 98.43(6) . 2_575 ?
C12 O5 Li1 121.4(2) . . ?
C12 O6 C13 119.0(3) . . ?
C18 O7 Li1 137.30(19) . . ?
C18 O7 Co1 126.12(15) . 2_575 ?
Li1 O7 Co1 96.11(14) . 2_575 ?
C20 O8 Co1 125.69(15) . 2_575 ?
C20 O9 C21 120.88(19) . . ?
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 . . ?
O3 C2 C3 125.5(2) . . ?
O3 C2 C1 114.5(2) . . ?
C3 C2 C1 120.0(2) . . ?
C2 C3 C4 124.1(2) . . ?
C2 C3 H3 117.9 . . ?
C4 C3 H3 117.9 . . ?
O2 C4 O1 120.9(2) . . ?
O2 C4 C3 127.1(2) . . ?
O1 C4 C3 112.0(2) . . ?
O1 C5 C7 107.7(2) . . ?
O1 C5 C6 112.5(2) . . ?
C7 C5 C6 112.8(3) . . ?
O1 C5 C8 101.8(3) . . ?
C7 C5 C8 111.6(3) . . ?
C6 C5 C8 109.9(3) . . ?
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 . . ?
O4 C10 C11 124.2(2) . . ?
O4 C10 C9 115.9(2) . . ?
C11 C10 C9 119.9(2) . . ?
C10 C11 C12 126.5(2) . . ?
C10 C11 H11 116.8 . . ?
C12 C11 H11 116.8 . . ?
O5 C12 O6 120.8(3) . . ?
O5 C12 C11 128.3(2) . . ?
O6 C12 C11 110.9(3) . . ?
O6 C12 Li1 156.3(2) . . ?
C16 C13 O6 109.6(4) . . ?
C16 C13 C14 111.7(4) . . ?
O6 C13 C14 101.7(3) . . ?
C16 C13 C15 118.0(5) . . ?
O6 C13 C15 111.8(3) . . ?
C14 C13 C15 102.5(5) . . ?
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 . . ?
O7 C18 C19 125.9(2) . . ?
O7 C18 C17 114.3(2) . . ?
C19 C18 C17 119.8(2) . . ?
C18 C19 C20 124.1(2) . . ?
C18 C19 H19 117.9 . . ?
C20 C19 H19 117.9 . . ?
O8 C20 O9 121.3(2) . . ?
O8 C20 C19 126.7(2) . . ?
O9 C20 C19 112.0(2) . . ?
O9 C21 C23 108.7(2) . . ?
O9 C21 C22 111.4(2) . . ?
C23 C21 C22 114.6(3) . . ?
O9 C21 C24 102.2(2) . . ?
C23 C21 C24 109.7(3) . . ?
C22 C21 C24 109.6(3) . . ?
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 O7 2.0269(16) 2_575 yes
Co1 O3 2.0295(16) . yes
Co1 O2 2.0607(16) . yes
Co1 O8 2.0641(16) 2_575 yes
Co1 O4 2.1492(15) . yes
Co1 O4 2.1712(15) 2_575 yes
Co1 Li1 2.919(4) . yes
Co1 Li1 2.928(4) 2_575 yes
Li1 O5 1.837(5) . yes
Li1 O3 1.906(4) . yes
Li1 O7 1.909(4) . yes
Li1 O4 1.973(4) . yes
Li1 C12 2.688(5) . yes
Li1 Co1 2.928(4) 2_575 yes
O1 C4 1.345(3) . ?
O1 C5 1.475(4) . ?
O2 C4 1.241(3) . ?
O3 C2 1.295(3) . ?
O4 C10 1.329(3) . ?
O4 Co1 2.1711(15) 2_575 yes
O5 C12 1.227(4) . ?
O6 C12 1.356(3) . ?
O6 C13 1.472(4) . ?
O7 C18 1.286(3) . ?
O7 Co1 2.0269(16) 2_575 yes
O8 C20 1.238(3) . ?
O8 Co1 2.0641(16) 2_575 yes
O9 C20 1.346(3) . ?
O9 C21 1.471(3) . ?
C1 C2 1.512(4) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C2 C3 1.366(4) . ?
C3 C4 1.421(4) . ?
C3 H3 0.9500 . ?
C5 C7 1.482(4) . ?
C5 C6 1.512(5) . ?
C5 C8 1.532(4) . ?
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 1.497(4) . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 C11 1.366(4) . ?
C11 C12 1.443(4) . ?
C11 H11 0.9500 . ?
C13 C16 1.457(7) . ?
C13 C14 1.502(6) . ?
C13 C15 1.519(8) . ?
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 1.505(4) . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 C19 1.369(3) . ?
C19 C20 1.431(3) . ?
C19 H19 0.9500 . ?
C21 C23 1.505(4) . ?
C21 C22 1.508(5) . ?
C21 C24 1.524(4) . ?
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 . ?
