#------------------------------------------------------------------------------
#$Date: 2019-11-17 08:21:55 +0200 (Sun, 17 Nov 2019) $
#$Revision: 228834 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/54/93/1549386.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_1549386
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 Li2 Mg1.07 Ni0.93 O18'
_chemical_formula_sum            'C48 H78 Li2 Mg1.07 Ni0.93 O18'
_chemical_formula_weight         1037.59
_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                103.595(2)
_cell_angle_beta                 106.954(2)
_cell_angle_gamma                111.073(2)
_cell_formula_units_Z            1
_cell_length_a                   11.5228(8)
_cell_length_b                   12.2661(8)
_cell_length_c                   12.5357(8)
_cell_measurement_reflns_used    9977
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.91
_cell_measurement_theta_min      3.05
_cell_volume                     1462.29(17)
_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 0.998
_diffrn_measured_fraction_theta_max 0.996
_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  0.0291
_diffrn_reflns_av_unetI/netI     0.0212
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            55082
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.878
_diffrn_reflns_theta_min         3.126
_exptl_absorpt_coefficient_mu    0.384
_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            green
_exptl_crystal_density_diffrn    1.178
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    none
_exptl_crystal_description       plate
_exptl_crystal_F_000             555
_exptl_crystal_size_max          0.450
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.030
_exptl_transmission_factor_max   1
_exptl_transmission_factor_min   0.9305
_refine_diff_density_max         0.281
_refine_diff_density_min         -0.257
_refine_diff_density_rms         0.046
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.094
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     329
_refine_ls_number_reflns         6944
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.094
_refine_ls_R_factor_all          0.0406
_refine_ls_R_factor_gt           0.0318
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0231P)²+0.5849P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0654
_refine_ls_wR_factor_ref         0.0688
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6057
_reflns_number_total             6944
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c8sc00917a3.cif
_cod_data_source_block           Li2NiMg
_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        1462.28(17)
_cod_database_code               1549386
_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   0.846
_shelx_estimated_absorpt_t_max   0.989
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 0.1467(2) 0.93516(18) -0.06810(18) 0.0159(4) Uani 1 1 d . . . . .
Ni1 Ni -0.09359(2) 0.85564(2) -0.01954(2) 0.00890(7) Uani 0.4672(15) 1 d . . P
A 1
Mg1 Mg -0.09359(2) 0.85564(2) -0.01954(2) 0.00890(7) Uani 0.5328(15) 1 d . . P
A 2
O7 O -0.10835(9) 0.64602(8) 0.20158(8) 0.01871(18) Uani 1 1 d . . . . .
O1 O -0.12443(8) 0.77053(7) 0.09725(7) 0.01667(17) Uani 1 1 d . . . . .
O2 O 0.06618(8) 0.81755(7) -0.00626(7) 0.01485(17) Uani 1 1 d . . . . .
O4 O -0.01796(8) 0.95964(7) -0.11932(7) 0.01226(16) Uani 1 1 d . . . . .
O3 O 0.16386(9) 0.89325(8) -0.21239(7) 0.01993(19) Uani 1 1 d . . . . .
O8 O 0.10216(9) 0.86568(9) -0.40848(8) 0.0221(2) Uani 1 1 d . . . . .
O6 O 0.25358(8) 1.10729(7) 0.03478(7) 0.01385(17) Uani 1 1 d . . . . .
O5 O 0.22325(8) 1.30650(7) 0.16738(7) 0.01614(17) Uani 1 1 d . . . . .
O9 O 0.42454(8) 1.46893(7) 0.30713(7) 0.01851(18) Uani 1 1 d . . . . .
C1 C 0.18562(15) 0.69556(14) -0.00571(14) 0.0281(3) Uani 1 1 d . . . . .
H1A H 0.158337 0.670843 -0.092893 0.042 Uiso 1 1 calc R U . . .
H1B H 0.187172 0.624712 0.016944 0.042 Uiso 1 1 calc R U . . .
H1C H 0.276899 0.768208 0.037078 0.042 Uiso 1 1 calc R U . . .
C2 C 0.08457(12) 0.73086(11) 0.02777(11) 0.0165(2) Uani 1 1 d . . . . .
C3 C 0.02153(13) 0.67333(11) 0.09124(11) 0.0189(2) Uani 1 1 d . . . . .
H3 H 0.042733 0.611083 0.112185 0.023 Uiso 1 1 calc R U . . .
C4 C -0.07450(12) 0.70224(11) 0.12750(10) 0.0158(2) Uani 1 1 d . . . . .
C5 C -0.21664(13) 0.65171(12) 0.24030(11) 0.0202(3) Uani 1 1 d . . . . .
C6 C -0.18366(15) 0.78742(13) 0.30743(12) 0.0265(3) Uani 1 1 d . . . . .
H6A H -0.088961 0.833097 0.368268 0.040 Uiso 1 1 calc R U . . .
H6B H -0.245489 0.787345 0.347061 0.040 Uiso 1 1 calc R U . . .
H6C H -0.195337 0.829059 0.250139 0.040 Uiso 1 1 calc R U . . .
C7 C -0.35308(13) 0.58124(13) 0.13082(12) 0.0273(3) Uani 1 1 d . . . . .
H7A H -0.353251 0.627459 0.076801 0.041 Uiso 1 1 calc R U . . .
H7B H -0.426804 0.574338 0.156991 0.041 Uiso 1 1 calc R U . . .
H7C H -0.367168 0.496487 0.088059 0.041 Uiso 1 1 calc R U . . .
C8 C -0.21117(14) 0.58194(13) 0.32627(12) 0.0265(3) Uani 1 1 d . . . . .
H8A H -0.222276 0.498105 0.284636 0.040 Uiso 1 1 calc R U . . .
H8B H -0.284908 0.572864 0.352894 0.040 Uiso 1 1 calc R U . . .
H8C H -0.122830 0.630065 0.396476 0.040 Uiso 1 1 calc R U . . .
C9 C -0.21258(12) 0.94777(12) -0.27020(11) 0.0185(2) Uani 1 1 d . . . . .
H9A H -0.277841 0.889531 -0.249338 0.028 Uiso 1 1 calc R U . . .
H9B H -0.252315 0.927469 -0.357211 0.028 Uiso 1 1 calc R U . . .
H9C H -0.191937 1.034708 -0.226568 0.028 Uiso 1 1 calc R U . . .
C10 C -0.08284(11) 0.93486(10) -0.23557(10) 0.0134(2) Uani 1 1 d . . . . .
C11 C -0.03995(12) 0.90102(11) -0.32261(10) 0.0170(2) Uani 1 1 d . . . . .
H11 H -0.096535 0.884796 -0.402637 0.020 Uiso 1 1 calc R U . . .
C12 C 0.08305(13) 0.88726(11) -0.30557(11) 0.0177(2) Uani 1 1 d . . . . .
C13 C 0.22278(14) 0.85024(13) -0.41175(12) 0.0248(3) Uani 1 1 d . . . . .
C14 C 0.20231(16) 0.82950(16) -0.54202(13) 0.0352(4) Uani 1 1 d . . . . .
H14A H 0.280513 0.823044 -0.553470 0.053 Uiso 1 1 calc R U . . .
H14B H 0.194797 0.900867 -0.559997 0.053 Uiso 1 1 calc R U . . .
H14C H 0.118456 0.751270 -0.596327 0.053 Uiso 1 1 calc R U . . .
C15 C 0.35396(15) 0.97037(15) -0.32631(14) 0.0347(3) Uani 1 1 d . . . . .
H15A H 0.365659 0.983593 -0.242892 0.052 Uiso 1 1 calc R U . . .
H15B H 0.348793 1.042536 -0.344171 0.052 Uiso 1 1 calc R U . . .
H15C H 0.431905 0.962364 -0.336856 0.052 Uiso 1 1 calc R U . . .
C16 C 0.21904(16) 0.73406(14) -0.38571(13) 0.0319(3) Uani 1 1 d . . . . .
H16A H 0.227205 0.746949 -0.303158 0.048 Uiso 1 1 calc R U . . .
H16B H 0.295138 0.720646 -0.394575 0.048 Uiso 1 1 calc R U . . .
H16C H 0.132360 0.659876 -0.442656 0.048 Uiso 1 1 calc R U . . .
C17 C 0.47781(13) 1.13958(13) 0.06622(13) 0.0270(3) Uani 1 1 d . . . . .
H17A H 0.465425 1.063323 0.083581 0.041 Uiso 1 1 calc R U . . .
H17B H 0.572328 1.205500 0.115228 0.041 Uiso 1 1 calc R U . . .
H17C H 0.458138 1.120061 -0.019455 0.041 Uiso 1 1 calc R U . . .
C18 C 0.38157(12) 1.18557(11) 0.09599(10) 0.0153(2) Uani 1 1 d . . . . .
C19 C 0.43364(12) 1.30274(11) 0.18396(11) 0.0183(2) Uani 1 1 d . . . . .
H19 H 0.530089 1.351362 0.225996 0.022 Uiso 1 1 calc R U . . .
C20 C 0.34996(12) 1.35514(10) 0.21541(10) 0.0150(2) Uani 1 1 d . . . . .
C21 C 0.35958(13) 1.54563(11) 0.34605(11) 0.0203(3) Uani 1 1 d . . . . .
C22 C 0.25881(17) 1.47780(14) 0.39262(15) 0.0373(4) Uani 1 1 d . . . . .
H22A H 0.181582 1.402059 0.325932 0.056 Uiso 1 1 calc R U . . .
H22B H 0.225469 1.534243 0.427014 0.056 Uiso 1 1 calc R U . . .
H22C H 0.304414 1.453358 0.454951 0.056 Uiso 1 1 calc R U . . .
C23 C 0.29537(16) 1.57965(13) 0.24312(13) 0.0341(3) Uani 1 1 d . . . . .
H23A H 0.363006 1.616700 0.212649 0.051 Uiso 1 1 calc R U . . .
H23B H 0.264633 1.640898 0.272181 0.051 Uiso 1 1 calc R U . . .
H23C H 0.217014 1.503319 0.178089 0.051 Uiso 1 1 calc R U . . .
C24 C 0.48158(15) 1.66283(13) 0.44821(13) 0.0305(3) Uani 1 1 d . . . . .
H24A H 0.523785 1.638975 0.512725 0.046 Uiso 1 1 calc R U . . .
H24B H 0.451004 1.723173 0.479861 0.046 Uiso 1 1 calc R U . . .
H24C H 0.548536 1.701838 0.417854 0.046 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'
Ni Ni 0.3393 1.1124 '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'
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 124.50(11) . .
O3 Li1 O6 114.87(11) . .
O2 Li1 O6 119.09(11) . .
O3 Li1 O4 100.33(10) . .
O2 Li1 O4 91.13(9) . .
O6 Li1 O4 90.80(8) . .
O3 Li1 C12 22.66(5) . .
O2 Li1 C12 124.73(10) . .
O6 Li1 C12 115.06(9) . .
O4 Li1 C12 77.66(7) . .
O3 Li1 Ni1 122.66(9) . 2_575
O2 Li1 Ni1 104.99(8) . 2_575
O6 Li1 Ni1 44.06(5) . 2_575
O4 Li1 Ni1 47.62(5) . 2_575
C12 Li1 Ni1 105.79(7) . 2_575
O6 Ni1 O2 179.37(3) 2_575 .
O6 Ni1 O1 92.37(3) 2_575 .
O2 Ni1 O1 88.03(3) . .
O6 Ni1 O5 87.78(3) 2_575 2_575
O2 Ni1 O5 91.70(3) . 2_575
O1 Ni1 O5 93.41(3) . 2_575
O6 Ni1 O4 96.91(3) 2_575 .
O2 Ni1 O4 82.77(3) . .
O1 Ni1 O4 168.23(3) . .
O5 Ni1 O4 94.18(3) 2_575 .
O6 Ni1 O4 82.77(3) 2_575 2_575
O2 Ni1 O4 97.71(3) . 2_575
O1 Ni1 O4 92.94(3) . 2_575
O5 Ni1 O4 168.82(3) 2_575 2_575
O4 Ni1 O4 81.10(3) . 2_575
O6 Ni1 Li1 40.52(4) 2_575 2_575
O2 Ni1 Li1 139.88(5) . 2_575
O1 Ni1 Li1 99.75(5) . 2_575
O5 Ni1 Li1 126.58(5) 2_575 2_575
O4 Ni1 Li1 82.86(4) . 2_575
O4 Ni1 Li1 43.01(4) 2_575 2_575
O6 Mg1 O2 179.37(3) 2_575 .
O6 Mg1 O1 92.37(3) 2_575 .
O2 Mg1 O1 88.03(3) . .
O6 Mg1 O5 87.78(3) 2_575 2_575
O2 Mg1 O5 91.70(3) . 2_575
O1 Mg1 O5 93.41(3) . 2_575
O6 Mg1 O4 96.91(3) 2_575 .
O2 Mg1 O4 82.77(3) . .
O1 Mg1 O4 168.23(3) . .
O5 Mg1 O4 94.18(3) 2_575 .
O6 Mg1 O4 82.77(3) 2_575 2_575
O2 Mg1 O4 97.71(3) . 2_575
O1 Mg1 O4 92.94(3) . 2_575
O5 Mg1 O4 168.82(3) 2_575 2_575
O4 Mg1 O4 81.10(3) . 2_575
O6 Mg1 Li1 40.52(4) 2_575 2_575
O2 Mg1 Li1 139.88(5) . 2_575
O1 Mg1 Li1 99.75(5) . 2_575
O5 Mg1 Li1 126.58(5) 2_575 2_575
O4 Mg1 Li1 82.86(4) . 2_575
O4 Mg1 Li1 43.01(4) 2_575 2_575
C4 O7 C5 121.65(9) . .
C4 O1 Ni1 126.76(8) . .
C4 O1 Mg1 126.76(8) . .
C2 O2 Li1 138.74(9) . .
C2 O2 Ni1 126.05(7) . .
Li1 O2 Ni1 95.04(7) . .
C2 O2 Mg1 126.05(7) . .
Li1 O2 Mg1 95.04(7) . .
C10 O4 Li1 118.39(9) . .
C10 O4 Ni1 126.05(7) . .
Li1 O4 Ni1 89.17(6) . .
C10 O4 Mg1 126.05(7) . .
Li1 O4 Mg1 89.17(6) . .
C10 O4 Ni1 124.55(7) . 2_575
Li1 O4 Ni1 89.37(6) . 2_575
Ni1 O4 Ni1 98.90(3) . 2_575
C12 O3 Li1 121.93(10) . .
C12 O8 C13 120.71(9) . .
C18 O6 Li1 137.27(9) . .
C18 O6 Ni1 127.30(7) . 2_575
Li1 O6 Ni1 95.41(7) . 2_575
C20 O5 Ni1 127.17(7) . 2_575
C20 O9 C21 121.13(9) . .
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 125.02(11) . .
O2 C2 C1 114.95(10) . .
C3 C2 C1 120.03(11) . .
C2 C3 C4 123.52(11) . .
C2 C3 H3 118.2 . .
C4 C3 H3 118.2 . .
O1 C4 O7 121.04(10) . .
O1 C4 C3 126.65(11) . .
O7 C4 C3 112.30(10) . .
O7 C5 C7 108.94(10) . .
O7 C5 C6 111.73(10) . .
C7 C5 C6 112.50(11) . .
O7 C5 C8 101.79(10) . .
C7 C5 C8 111.24(10) . .
C6 C5 C8 110.15(11) . .
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 125.08(10) . .
O4 C10 C9 115.88(9) . .
C11 C10 C9 119.04(10) . .
C10 C11 C12 126.63(11) . .
C10 C11 H11 116.7 . .
C12 C11 H11 116.7 . .
O3 C12 O8 121.45(11) . .
O3 C12 C11 127.26(11) . .
O8 C12 C11 111.30(10) . .
O3 C12 Li1 35.41(7) . .
O8 C12 Li1 156.59(9) . .
C11 C12 Li1 91.95(8) . .
O8 C13 C15 110.55(10) . .
O8 C13 C16 110.08(11) . .
C15 C13 C16 112.92(12) . .
O8 C13 C14 102.35(10) . .
C15 C13 C14 110.01(12) . .
C16 C13 C14 110.43(12) . .
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 125.35(10) . .
O6 C18 C17 114.99(10) . .
C19 C18 C17 119.66(11) . .
C18 C19 C20 123.33(11) . .
C18 C19 H19 118.3 . .
C20 C19 H19 118.3 . .
O5 C20 O9 121.06(10) . .
O5 C20 C19 126.73(10) . .
O9 C20 C19 112.21(10) . .
O9 C21 C23 109.26(10) . .
O9 C21 C22 110.82(10) . .
C23 C21 C22 113.20(13) . .
O9 C21 C24 102.00(10) . .
C23 C21 C24 110.41(11) . .
C22 C21 C24 110.57(11) . .
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 1.849(2) .
Li1 O2 1.878(2) .
Li1 O6 1.887(2) .
Li1 O4 1.973(2) .
Li1 C12 2.709(2) .
Li1 Ni1 2.8915(19) 2_575
Ni1 O6 2.0199(8) 2_575
Ni1 O2 2.0278(8) .
Ni1 O1 2.0285(8) .
Ni1 O5 2.0342(8) 2_575
Ni1 O4 2.1302(8) .
Ni1 O4 2.1360(8) 2_575
Mg1 O6 2.0199(8) 2_575
Mg1 O2 2.0278(8) .
Mg1 O1 2.0285(8) .
Mg1 O5 2.0342(8) 2_575
Mg1 O4 2.1302(8) .
Mg1 O4 2.1360(8) 2_575
O7 C4 1.3451(14) .
O7 C5 1.4824(14) .
O1 C4 1.2430(14) .
O2 C2 1.2962(14) .
O4 C10 1.3296(13) .
O3 C12 1.2300(15) .
O8 C12 1.3527(14) .
O8 C13 1.4792(15) .
O6 C18 1.2888(14) .
O5 C20 1.2419(14) .
O9 C20 1.3474(14) .
O9 C21 1.4789(14) .
C1 C2 1.5105(16) .
C1 H1A 0.9800 .
C1 H1B 0.9800 .
C1 H1C 0.9800 .
C2 C3 1.3751(17) .
C3 C4 1.4341(16) .
C3 H3 0.9500 .
C5 C7 1.5195(18) .
C5 C6 1.5243(18) .
C5 C8 1.5267(17) .
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 1.5075(16) .
C9 H9A 0.9800 .
C9 H9B 0.9800 .
C9 H9C 0.9800 .
C10 C11 1.3624(16) .
C11 C12 1.4474(16) .
C11 H11 0.9500 .
C13 C15 1.522(2) .
C13 C16 1.524(2) .
C13 C14 1.5244(18) .
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 1.5098(16) .
C17 H17A 0.9800 .
C17 H17B 0.9800 .
C17 H17C 0.9800 .
C18 C19 1.3750(16) .
C19 C20 1.4306(16) .
C19 H19 0.9500 .
C21 C23 1.5182(19) .
C21 C22 1.520(2) .
C21 C24 1.5212(18) .
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 .
