#------------------------------------------------------------------------------
#$Date: 2019-11-17 08:21:55 +0200 (Sun, 17 Nov 2019) $
#$Revision: 228834 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/54/93/1549387.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_1549387
loop_
_publ_author_name
'Han, Haixiang'
'Wei, Zheng'
'Barry, Matthew C.'
'Carozza, Jesse C.'
'Alkan, Melisa'
'Rogachev, Andrey Yu'
'Filatov, Alexander S.'
'Abakumov, Artem M.'
'Dikarev, Evgeny V.'
_publ_section_title
;
 A three body problem: a genuine heterotrimetallic molecule
 vs. a mixture of two parent heterobimetallic molecules.
;
_journal_issue                   21
_journal_name_full               'Chemical science'
_journal_page_first              4736
_journal_page_last               4745
_journal_paper_doi               10.1039/c8sc00917a
_journal_volume                  9
_journal_year                    2018
_chemical_formula_moiety         'C48 H78 Co1.06 Li2 Mg0.94 O18'
_chemical_formula_sum            'C48 H78 Co1.06 Li2 Mg0.94 O18'
_chemical_formula_weight         1042.30
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2017/1
_audit_update_record
;
2018-02-13 deposited with the CCDC.
2018-05-08 downloaded from the CCDC.
;
_cell_angle_alpha                103.554(2)
_cell_angle_beta                 107.079(2)
_cell_angle_gamma                110.959(2)
_cell_formula_units_Z            1
_cell_length_a                   11.5502(8)
_cell_length_b                   12.2971(9)
_cell_length_c                   12.5192(9)
_cell_measurement_reflns_used    9956
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      33.14
_cell_measurement_theta_min      2.87
_cell_volume                     1468.06(19)
_computing_cell_refinement       'SAINT V.8.38A (Bruker AXS Inc., 2017)'
_computing_data_collection       'APEX3 v.2017.3-0 (Bruker AXS Inc., 2017)'
_computing_data_reduction        'SAINT V.8.38A (Bruker AXS Inc., 2017)'
_computing_molecular_graphics    'Xshell v.6.3.1 (Bruker AXS Inc., 2016)'
_computing_publication_material  'APEX3 v.2017.3-0 (Bruker AXS Inc., 2017)'
_computing_structure_refinement  'SHELXL-2017/1 (Sheldrick, 2017)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker D8 Venture PHOTON 100 CMOS'
_diffrn_measurement_method       'omega and phi scans'
_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  0.0395
_diffrn_reflns_av_unetI/netI     0.0283
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            60514
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         33.185
_diffrn_reflns_theta_min         2.866
_exptl_absorpt_coefficient_mu    0.381
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was 
used for absorption correction. 
Krause, L., Herbst-Irmer, R., 
Sheldrick G.M. & Stalke D.,
 J. Appl. Cryst. 48 (2015) 3-10
;
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.179
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    none
_exptl_crystal_description       plate
_exptl_crystal_F_000             556
_exptl_crystal_size_max          0.340
_exptl_crystal_size_mid          0.140
_exptl_crystal_size_min          0.100
_exptl_transmission_factor_max   1
_exptl_transmission_factor_min   0.9291
_refine_diff_density_max         0.463
_refine_diff_density_min         -0.311
_refine_diff_density_rms         0.056
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.093
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     329
_refine_ls_number_reflns         11144
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.093
_refine_ls_R_factor_all          0.0516
_refine_ls_R_factor_gt           0.0383
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0225P)²+0.6541P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0749
_refine_ls_wR_factor_ref         0.0810
_reflns_Friedel_coverage         0.000
_reflns_number_gt                9426
_reflns_number_total             11144
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c8sc00917a3.cif
_cod_data_source_block           Li2CoMg
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 4973 2017-02-22 13:04:09Z antanas 

 Adding full bibliography for 1549384--1549387.cif.
;
_cod_original_cell_volume        1468.06(18)
_cod_database_code               1549387
_shelx_shelxl_version_number     2017/1
_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_min   0.881
_shelx_estimated_absorpt_t_max   0.963
loop_
_space_group_symop_operation_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_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
Li1 Li 0.14793(18) 0.93557(16) -0.06763(15) 0.0151(3) Uani 1 1 d . . . . .
Co1 Co -0.09373(2) 0.85481(2) -0.02047(2) 0.00864(5) Uani 0.5323(15) 1 d . . P
A 1
Mg1 Mg -0.09373(2) 0.85481(2) -0.02047(2) 0.00864(5) Uani 0.4677(15) 1 d . . P
A 2
O7 O -0.10650(7) 0.64316(7) 0.20087(7) 0.01689(14) Uani 1 1 d . . . . .
O1 O -0.12292(7) 0.76834(7) 0.09741(6) 0.01537(13) Uani 1 1 d . . . . .
O2 O 0.06658(7) 0.81711(6) -0.00619(6) 0.01347(13) Uani 1 1 d . . . . .
O4 O -0.01651(7) 0.95891(6) -0.12057(6) 0.01164(12) Uani 1 1 d . . . . .
O3 O 0.16654(8) 0.89523(7) -0.21179(6) 0.01848(14) Uani 1 1 d . . . . .
O8 O 0.10522(8) 0.86621(8) -0.40872(7) 0.02048(15) Uani 1 1 d . . . . .
O6 O 0.25375(7) 1.10767(6) 0.03655(6) 0.01306(13) Uani 1 1 d . . . . .
O5 O 0.22679(7) 1.30886(6) 0.16984(6) 0.01516(13) Uani 1 1 d . . . . .
O9 O 0.42857(7) 1.47124(7) 0.30775(6) 0.01674(14) Uani 1 1 d . . . . .
C1 C 0.18602(13) 0.69555(12) -0.00686(12) 0.0265(2) Uani 1 1 d . . . . .
H1A H 0.158362 0.671076 -0.094214 0.040 Uiso 1 1 calc R U . . .
H1B H 0.188169 0.624936 0.015692 0.040 Uiso 1 1 calc R U . . .
H1C H 0.276926 0.768059 0.035868 0.040 Uiso 1 1 calc R U . . .
C2 C 0.08534(10) 0.73029(9) 0.02715(9) 0.01474(17) Uani 1 1 d . . . . .
C3 C 0.02295(10) 0.67194(9) 0.09056(9) 0.01689(18) Uani 1 1 d . . . . .
H3 H 0.044633 0.609850 0.111074 0.020 Uiso 1 1 calc R U . . .
C4 C -0.07305(10) 0.70002(9) 0.12725(8) 0.01400(16) Uani 1 1 d . . . . .
C5 C -0.21382(10) 0.64880(10) 0.24011(9) 0.01770(18) Uani 1 1 d . . . . .
C6 C -0.18113(13) 0.78410(11) 0.30804(11) 0.0248(2) Uani 1 1 d . . . . .
H6A H -0.086596 0.829537 0.368912 0.037 Uiso 1 1 calc R U . . .
H6B H -0.242668 0.783632 0.347874 0.037 Uiso 1 1 calc R U . . .
H6C H -0.193167 0.825938 0.250936 0.037 Uiso 1 1 calc R U . . .
C7 C -0.35061(11) 0.57861(12) 0.13054(10) 0.0246(2) Uani 1 1 d . . . . .
H7A H -0.351222 0.624686 0.076406 0.037 Uiso 1 1 calc R U . . .
H7B H -0.423809 0.571874 0.157110 0.037 Uiso 1 1 calc R U . . .
H7C H -0.364821 0.494091 0.087583 0.037 Uiso 1 1 calc R U . . .
C8 C -0.20837(12) 0.57895(11) 0.32581(10) 0.0246(2) Uani 1 1 d . . . . .
H8A H -0.219704 0.495336 0.283848 0.037 Uiso 1 1 calc R U . . .
H8B H -0.281760 0.570053 0.352574 0.037 Uiso 1 1 calc R U . . .
H8C H -0.120157 0.626543 0.396098 0.037 Uiso 1 1 calc R U . . .
C9 C -0.21031(10) 0.94657(10) -0.27179(9) 0.01697(18) Uani 1 1 d . . . . .
H9A H -0.275288 0.888261 -0.251121 0.025 Uiso 1 1 calc R U . . .
H9B H -0.249813 0.926426 -0.358961 0.025 Uiso 1 1 calc R U . . .
H9C H -0.190245 1.033065 -0.228148 0.025 Uiso 1 1 calc R U . . .
C10 C -0.08091(9) 0.93424(8) -0.23675(8) 0.01213(16) Uani 1 1 d . . . . .
C11 C -0.03727(10) 0.90087(9) -0.32392(8) 0.01560(17) Uani 1 1 d . . . . .
H11 H -0.093555 0.884512 -0.404278 0.019 Uiso 1 1 calc R U . . .
C12 C 0.08583(10) 0.88808(9) -0.30582(9) 0.01599(17) Uani 1 1 d . . . . .
C13 C 0.22582(12) 0.85191(11) -0.41144(10) 0.0222(2) Uani 1 1 d . . . . .
C14 C 0.20497(14) 0.82971(15) -0.54222(11) 0.0326(3) Uani 1 1 d . . . . .
H14A H 0.283648 0.824280 -0.553080 0.049 Uiso 1 1 calc R U . . .
H14B H 0.195683 0.899712 -0.561620 0.049 Uiso 1 1 calc R U . . .
H14C H 0.122190 0.750853 -0.596012 0.049 Uiso 1 1 calc R U . . .
C15 C 0.35568(13) 0.97312(13) -0.32629(12) 0.0322(3) Uani 1 1 d . . . . .
H15A H 0.367974 0.986509 -0.242589 0.048 Uiso 1 1 calc R U . . .
H15B H 0.348524 1.044245 -0.344743 0.048 Uiso 1 1 calc R U . . .
H15C H 0.434030 0.966516 -0.336818 0.048 Uiso 1 1 calc R U . . .
C16 C 0.22449(14) 0.73748(12) -0.38358(11) 0.0291(2) Uani 1 1 d . . . . .
H16A H 0.232725 0.751014 -0.300808 0.044 Uiso 1 1 calc R U . . .
H16B H 0.301174 0.725101 -0.391731 0.044 Uiso 1 1 calc R U . . .
H16C H 0.138702 0.662683 -0.440272 0.044 Uiso 1 1 calc R U . . .
C17 C 0.47617(11) 1.13802(11) 0.06600(11) 0.0255(2) Uani 1 1 d . . . . .
H17A H 0.464735 1.062938 0.084976 0.038 Uiso 1 1 calc R U . . .
H17B H 0.570727 1.203662 0.113280 0.038 Uiso 1 1 calc R U . . .
H17C H 0.454359 1.116660 -0.020335 0.038 Uiso 1 1 calc R U . . .
C18 C 0.38182(9) 1.18542(9) 0.09690(8) 0.01350(16) Uani 1 1 d . . . . .
C19 C 0.43505(10) 1.30299(9) 0.18449(9) 0.01607(17) Uani 1 1 d . . . . .
H19 H 0.531374 1.350897 0.225754 0.019 Uiso 1 1 calc R U . . .
C20 C 0.35296(10) 1.35687(8) 0.21668(8) 0.01308(16) Uani 1 1 d . . . . .
C21 C 0.36496(11) 1.54891(9) 0.34658(9) 0.01835(18) Uani 1 1 d . . . . .
C22 C 0.26627(15) 1.48340(13) 0.39559(13) 0.0357(3) Uani 1 1 d . . . . .
H22A H 0.189221 1.406834 0.330148 0.053 Uiso 1 1 calc R U . . .
H22B H 0.232764 1.540035 0.428925 0.053 Uiso 1 1 calc R U . . .
H22C H 0.313189 1.461080 0.459312 0.053 Uiso 1 1 calc R U . . .
C23 C 0.29926(15) 1.58110(12) 0.24258(12) 0.0329(3) Uani 1 1 d . . . . .
H23A H 0.365550 1.616391 0.210506 0.049 Uiso 1 1 calc R U . . .
H23B H 0.269438 1.643013 0.271410 0.049 Uiso 1 1 calc R U . . .
H23C H 0.220360 1.504672 0.178672 0.049 Uiso 1 1 calc R U . . .
C24 C 0.48746(13) 1.66678(11) 0.44747(11) 0.0294(3) Uani 1 1 d . . . . .
H24A H 0.531101 1.644102 0.512497 0.044 Uiso 1 1 calc R U . . .
H24B H 0.457145 1.727141 0.479149 0.044 Uiso 1 1 calc R U . . .
H24C H 0.552892 1.704866 0.415649 0.044 Uiso 1 1 calc R U . . .
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'
Mg Mg 0.0486 0.0363 '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
O3 Li1 O2 124.76(10) . .
O3 Li1 O6 114.82(9) . .
O2 Li1 O6 118.94(9) . .
O3 Li1 O4 100.02(8) . .
O2 Li1 O4 91.05(8) . .
O6 Li1 O4 90.92(8) . .
O3 Li1 Co1 122.46(8) . 2_575
O2 Li1 Co1 104.97(7) . 2_575
O6 Li1 Co1 43.79(4) . 2_575
O4 Li1 Co1 48.00(4) . 2_575
O6 Co1 O2 179.37(3) 2_575 .
O6 Co1 O1 93.32(3) 2_575 .
O2 Co1 O1 87.23(3) . .
O6 Co1 O5 87.08(3) 2_575 2_575
O2 Co1 O5 92.60(3) . 2_575
O1 Co1 O5 92.95(3) . 2_575
O6 Co1 O4 97.11(3) 2_575 .
O2 Co1 O4 82.37(3) . .
O1 Co1 O4 167.33(3) . .
O5 Co1 O4 94.72(3) 2_575 .
O6 Co1 O4 82.09(3) 2_575 2_575
O2 Co1 O4 98.18(3) . 2_575
O1 Co1 O4 92.95(3) . 2_575
O5 Co1 O4 167.94(3) 2_575 2_575
O4 Co1 O4 81.44(3) . 2_575
O6 Co1 Li1 40.36(4) 2_575 2_575
O2 Co1 Li1 139.81(4) . 2_575
O1 Co1 Li1 100.29(4) . 2_575
O5 Co1 Li1 125.90(4) 2_575 2_575
O4 Co1 Li1 83.28(4) . 2_575
O4 Co1 Li1 42.49(4) 2_575 2_575
O6 Mg1 O2 179.37(3) 2_575 .
O6 Mg1 O1 93.32(3) 2_575 .
O2 Mg1 O1 87.23(3) . .
O6 Mg1 O5 87.08(3) 2_575 2_575
O2 Mg1 O5 92.60(3) . 2_575
O1 Mg1 O5 92.95(3) . 2_575
O6 Mg1 O4 97.11(3) 2_575 .
O2 Mg1 O4 82.37(3) . .
O1 Mg1 O4 167.33(3) . .
O5 Mg1 O4 94.72(3) 2_575 .
O6 Mg1 O4 82.09(3) 2_575 2_575
O2 Mg1 O4 98.18(3) . 2_575
O1 Mg1 O4 92.95(3) . 2_575
O5 Mg1 O4 167.94(3) 2_575 2_575
O4 Mg1 O4 81.44(3) . 2_575
O6 Mg1 Li1 40.36(4) 2_575 2_575
O2 Mg1 Li1 139.81(4) . 2_575
O1 Mg1 Li1 100.29(4) . 2_575
O5 Mg1 Li1 125.90(4) 2_575 2_575
O4 Mg1 Li1 83.28(4) . 2_575
O4 Mg1 Li1 42.49(4) 2_575 2_575
C4 O7 C5 121.55(8) . .
C4 O1 Co1 127.22(6) . .
C4 O1 Mg1 127.22(6) . .
C2 O2 Li1 138.26(8) . .
C2 O2 Co1 126.42(6) . .
Li1 O2 Co1 95.12(6) . .
C2 O2 Mg1 126.42(6) . .
Li1 O2 Mg1 95.12(6) . .
C10 O4 Li1 118.76(8) . .
C10 O4 Co1 125.82(6) . .
Li1 O4 Co1 89.46(6) . .
C10 O4 Mg1 125.82(6) . .
Li1 O4 Mg1 89.46(6) . .
C10 O4 Co1 124.54(6) . 2_575
Li1 O4 Co1 89.52(6) . 2_575
Co1 O4 Co1 98.56(3) . 2_575
C12 O3 Li1 122.24(9) . .
C12 O8 C13 120.92(8) . .
C18 O6 Li1 136.47(8) . .
C18 O6 Co1 127.62(6) . 2_575
Li1 O6 Co1 95.85(6) . 2_575
C20 O5 Co1 127.38(6) . 2_575
C20 O9 C21 121.17(8) . .
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 . .
O2 C2 C3 125.14(9) . .
O2 C2 C1 115.01(8) . .
C3 C2 C1 119.84(9) . .
C2 C3 C4 123.43(9) . .
C2 C3 H3 118.3 . .
C4 C3 H3 118.3 . .
O1 C4 O7 121.26(9) . .
O1 C4 C3 126.38(9) . .
O7 C4 C3 112.37(8) . .
O7 C5 C7 108.96(8) . .
O7 C5 C8 102.03(8) . .
C7 C5 C8 110.99(9) . .
O7 C5 C6 111.93(8) . .
C7 C5 C6 112.46(10) . .
C8 C5 C6 110.00(9) . .
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 125.04(9) . .
O4 C10 C9 115.84(8) . .
C11 C10 C9 119.12(8) . .
C10 C11 C12 126.45(9) . .
C10 C11 H11 116.8 . .
C12 C11 H11 116.8 . .
O3 C12 O8 121.63(9) . .
O3 C12 C11 127.13(9) . .
O8 C12 C11 111.24(8) . .
O8 C13 C16 110.19(9) . .
O8 C13 C15 110.24(9) . .
C16 C13 C15 112.93(10) . .
O8 C13 C14 102.52(9) . .
C16 C13 C14 110.31(10) . .
C15 C13 C14 110.17(10) . .
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 . .
O6 C18 C19 125.44(8) . .
O6 C18 C17 114.73(8) . .
C19 C18 C17 119.83(9) . .
C18 C19 C20 123.48(9) . .
C18 C19 H19 118.3 . .
C20 C19 H19 118.3 . .
O5 C20 O9 121.09(8) . .
O5 C20 C19 126.50(9) . .
O9 C20 C19 112.41(8) . .
O9 C21 C23 109.27(9) . .
O9 C21 C22 110.69(9) . .
C23 C21 C22 113.28(11) . .
O9 C21 C24 102.28(8) . .
C23 C21 C24 110.34(10) . .
C22 C21 C24 110.43(10) . .
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
Li1 O3 1.8531(18) .
Li1 O2 1.8887(18) .
Li1 O6 1.8956(18) .
Li1 O4 1.9670(18) .
Li1 Co1 2.9121(17) 2_575
Co1 O6 2.0259(7) 2_575
Co1 O2 2.0331(7) .
Co1 O1 2.0478(7) .
Co1 O5 2.0603(7) 2_575
Co1 O4 2.1440(7) .
Co1 O4 2.1640(7) 2_575
Mg1 O6 2.0259(7) 2_575
Mg1 O2 2.0331(7) .
Mg1 O1 2.0478(7) .
Mg1 O5 2.0603(7) 2_575
Mg1 O4 2.1440(7) .
Mg1 O4 2.1640(7) 2_575
O7 C4 1.3438(11) .
O7 C5 1.4784(12) .
O1 C4 1.2425(12) .
O2 C2 1.2970(11) .
O4 C10 1.3255(11) .
O3 C12 1.2292(12) .
O8 C12 1.3536(11) .
O8 C13 1.4739(13) .
O6 C18 1.2909(11) .
O5 C20 1.2395(12) .
O9 C20 1.3511(11) .
O9 C21 1.4773(12) .
C1 C2 1.5091(14) .
C1 H1A 0.9800 .
C1 H1B 0.9800 .
C1 H1C 0.9800 .
C2 C3 1.3775(13) .
C3 C4 1.4348(14) .
C3 H3 0.9500 .
C5 C7 1.5229(15) .
C5 C8 1.5245(14) .
C5 C6 1.5273(16) .
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 1.5025(13) .
C9 H9A 0.9800 .
C9 H9B 0.9800 .
C9 H9C 0.9800 .
C10 C11 1.3691(13) .
C11 C12 1.4440(14) .
C11 H11 0.9500 .
C13 C16 1.5231(17) .
C13 C15 1.5246(17) .
C13 C14 1.5248(15) .
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 1.5077(14) .
C17 H17A 0.9800 .
C17 H17B 0.9800 .
C17 H17C 0.9800 .
C18 C19 1.3768(13) .
C19 C20 1.4316(13) .
C19 H19 0.9500 .
C21 C23 1.5178(16) .
C21 C22 1.5201(17) .
C21 C24 1.5242(15) .
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 .
