#------------------------------------------------------------------------------
#$Date: 2016-03-21 11:01:58 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178677 $
#$URL: svn://www.crystallography.net/cod/cif/4/07/88/4078867.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_4078867
loop_
_publ_author_name
'Baillie, Sharon E.'
'Clegg, William'
'Garc\?ía-Álvarez, Pablo'
'Hevia, Eva'
'Kennedy, Alan R.'
'Klett, Jan'
'Russo, Luca'
_publ_section_title
;
 Synthesis, Structural Elucidation, and Diffusion-Ordered NMR Studies of
 Homoleptic Alkyllithium Magnesiates: Donor-Controlled Structural
 Variations in Mixed-Metal Chemistry
;
_journal_issue                   14
_journal_name_full               Organometallics
_journal_page_first              5131
_journal_paper_doi               10.1021/om300477m
_journal_volume                  31
_journal_year                    2012
_chemical_formula_moiety         'C20 H49 Li Mg O4 Si3'
_chemical_formula_sum            'C20 H49 Li Mg O4 Si3'
_chemical_formula_weight         469.11
_chemical_name_systematic
;
 ?
;
_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   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                104.171(4)
_cell_angle_beta                 96.327(4)
_cell_angle_gamma                111.437(5)
_cell_formula_units_Z            2
_cell_length_a                   9.6476(5)
_cell_length_b                   11.0862(6)
_cell_length_c                   15.5535(6)
_cell_measurement_reflns_used    6455
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      28.50
_cell_measurement_theta_min      2.95
_cell_volume                     1464.12(14)
_computing_cell_refinement
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.41 (release 06-05-2009 CrysAlis171 .NET)
(compiled May  6 2009,17:20:42)
;
_computing_data_collection
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.41 (release 06-05-2009 CrysAlis171 .NET)
(compiled May  6 2009,17:20:42)
;
_computing_data_reduction
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.41 (release 06-05-2009 CrysAlis171 .NET)
(compiled May  6 2009,17:20:42)
;
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL and local programs'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 10.3968
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.783
_diffrn_measurement_device_type
'Oxford Diffraction Gemini A Ultra diffractometer'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  none
_diffrn_radiation_source         'sealed tube with Enhance optics'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0181
_diffrn_reflns_av_sigmaI/netI    0.0289
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            9680
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         28.58
_diffrn_reflns_theta_min         2.96
_exptl_absorpt_coefficient_mu    0.203
_exptl_absorpt_correction_T_max  0.953
_exptl_absorpt_correction_T_min  0.916
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.41 (release 06-05-2009 CrysAlis171 .NET)
(compiled May  6 2009,17:20:42)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.064
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             516
_exptl_crystal_size_max          0.44
_exptl_crystal_size_mid          0.38
_exptl_crystal_size_min          0.24
_refine_diff_density_max         0.418
_refine_diff_density_min         -0.336
_refine_diff_density_rms         0.044
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.079
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     323
_refine_ls_number_reflns         5839
_refine_ls_number_restraints     25
_refine_ls_restrained_S_all      1.125
_refine_ls_R_factor_all          0.0432
_refine_ls_R_factor_gt           0.0340
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0517P)²+0.1869P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0910
_refine_ls_wR_factor_ref         0.0936
_reflns_number_gt                4761
_reflns_number_total             5839
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            om300477m_si_001.cif
_cod_data_source_block           rem535_compound_3
_cod_original_cell_volume        1464.12(12)
_cod_database_code               4078867
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Mg Mg -0.19324(5) -0.09298(5) 0.27205(3) 0.01869(12) Uani 1 1 d . . .
Li Li -0.3209(3) 0.0663(3) 0.21987(18) 0.0255(5) Uani 1 1 d . A .
C1 C -0.15628(19) -0.27308(16) 0.21528(11) 0.0271(3) Uani 1 1 d . . .
H1A H -0.0518 -0.2566 0.2446 0.032 Uiso 1 1 calc RD . .
H1B H -0.2281 -0.3479 0.2331 0.032 Uiso 1 1 calc RD . .
C2 C -0.0049(2) -0.2300(2) 0.05579(13) 0.0399(4) Uani 1 1 d . . .
H2A H 0.0076 -0.1349 0.0722 0.060 Uiso 1 1 calc R . .
H2B H -0.0191 -0.2659 -0.0102 0.060 Uiso 1 1 calc R . .
H2C H 0.0863 -0.2352 0.0862 0.060 Uiso 1 1 calc R . .
C3 C -0.1992(3) -0.51559(19) 0.04861(13) 0.0448(5) Uani 1 1 d . . .
H3A H -0.1104 -0.5250 0.0784 0.067 Uiso 1 1 calc R . .
H3B H -0.2069 -0.5406 -0.0172 0.067 Uiso 1 1 calc R . .
H3C H -0.2920 -0.5758 0.0618 0.067 Uiso 1 1 calc R . .
C4 C -0.3470(2) -0.32050(19) 0.03218(12) 0.0363(4) Uani 1 1 d . . .
H4A H -0.4378 -0.3699 0.0524 0.054 Uiso 1 1 calc R . .
H4B H -0.3621 -0.3603 -0.0335 0.054 Uiso 1 1 calc R . .
H4C H -0.3305 -0.2245 0.0461 0.054 Uiso 1 1 calc R . .
C5 C -0.07639(17) 0.08576(16) 0.22533(11) 0.0244(3) Uani 1 1 d D . .
H5A H -0.0968(19) 0.0386(15) 0.1617(9) 0.029 Uiso 1 1 d D . .
H5B H -0.0983(19) 0.1629(14) 0.2295(11) 0.029 Uiso 1 1 d D . .
C6 C 0.2304(2) 0.2220(2) 0.17398(14) 0.0438(5) Uani 1 1 d . . .
H6A H 0.2013 0.1448 0.1187 0.066 Uiso 1 1 calc R . .
H6B H 0.3414 0.2613 0.1967 0.066 Uiso 1 1 calc R . .
H6C H 0.1994 0.2912 0.1601 0.066 Uiso 1 1 calc R . .
C7 C 0.1979(2) 0.31529(17) 0.36598(12) 0.0370(4) Uani 1 1 d . . .
H7A H 0.1879 0.3911 0.3481 0.056 Uiso 1 1 calc R . .
H7B H 0.3048 0.3411 0.3939 0.056 Uiso 1 1 calc R . .
H7C H 0.1344 0.2936 0.4098 0.056 Uiso 1 1 calc R . .
C8 C 0.21243(19) 0.04204(18) 0.29154(13) 0.0328(4) Uani 1 1 d . . .
H8A H 0.1782 0.0192 0.3448 0.049 Uiso 1 1 calc R . .
H8B H 0.3242 0.0854 0.3051 0.049 Uiso 1 1 calc R . .
H8C H 0.1761 -0.0413 0.2398 0.049 Uiso 1 1 calc R . .
C9 C -0.4231(2) -0.0990(2) 0.2844(2) 0.0531(6) Uani 1 1 d D A .
H9A H -0.434(3) -0.0204(18) 0.3188(13) 0.064 Uiso 1 1 d D . .
H9B H -0.476(3) -0.118(2) 0.2251(10) 0.064 Uiso 1 1 d D . .
C10 C -0.6992(4) -0.2174(4) 0.3746(3) 0.0590(11) Uani 0.669(3) 1 d PD A 1
H10A H -0.6508 -0.1458 0.4333 0.089 Uiso 0.669(3) 1 calc PR A 1
H10B H -0.7631 -0.3024 0.3846 0.089 Uiso 0.669(3) 1 calc PR A 1
H10C H -0.7626 -0.1900 0.3366 0.089 Uiso 0.669(3) 1 calc PR A 1
C11 C -0.4449(3) -0.3012(3) 0.3988(2) 0.0433(8) Uani 0.669(3) 1 d PD A 1
H11A H -0.3661 -0.3244 0.3734 0.065 Uiso 0.669(3) 1 calc PR A 1
H11B H -0.5189 -0.3813 0.4095 0.065 Uiso 0.669(3) 1 calc PR A 1
H11C H -0.3974 -0.2272 0.4564 0.065 Uiso 0.669(3) 1 calc PR A 1
C12 C -0.6422(5) -0.3861(4) 0.2116(2) 0.0820(16) Uani 0.669(3) 1 d PD A 1
H12A H -0.6926 -0.3573 0.1673 0.123 Uiso 0.669(3) 1 calc PR A 1
H12B H -0.7186 -0.4619 0.2250 0.123 Uiso 0.669(3) 1 calc PR A 1
H12C H -0.5669 -0.4155 0.1865 0.123 Uiso 0.669(3) 1 calc PR A 1
C10A C -0.5431(10) -0.1545(9) 0.4311(4) 0.090(3) Uani 0.331(3) 1 d PD A 2
H10D H -0.4494 -0.1398 0.4718 0.135 Uiso 0.331(3) 1 calc PR A 2
H10E H -0.6320 -0.2090 0.4505 0.135 Uiso 0.331(3) 1 calc PR A 2
H10F H -0.5460 -0.0664 0.4331 0.135 Uiso 0.331(3) 1 calc PR A 2
C11A C -0.4856(7) -0.3861(6) 0.3092(7) 0.069(3) Uani 0.331(3) 1 d PD A 2
H11D H -0.4949 -0.4337 0.2455 0.103 Uiso 0.331(3) 1 calc PR A 2
H11E H -0.5506 -0.4499 0.3368 0.103 Uiso 0.331(3) 1 calc PR A 2
H11F H -0.3791 -0.3495 0.3422 0.103 Uiso 0.331(3) 1 calc PR A 2
C12A C -0.7545(6) -0.3335(7) 0.2521(5) 0.057(2) Uani 0.331(3) 1 d PD A 2
H12D H -0.7975 -0.2658 0.2526 0.085 Uiso 0.331(3) 1 calc PR A 2
H12E H -0.8120 -0.3980 0.2818 0.085 Uiso 0.331(3) 1 calc PR A 2
H12F H -0.7611 -0.3827 0.1891 0.085 Uiso 0.331(3) 1 calc PR A 2
C13 C -0.0962(2) 0.06288(18) 0.48092(11) 0.0333(4) Uani 1 1 d . . .
H13A H -0.1796 0.0243 0.5110 0.040 Uiso 1 1 calc R . .
H13B H -0.1190 0.1273 0.4536 0.040 Uiso 1 1 calc R . .
C14 C -0.0515(2) -0.13686(17) 0.45047(12) 0.0369(4) Uani 1 1 d . . .
H14A H -0.0441 -0.2096 0.4020 0.044 Uiso 1 1 calc R . .
H14B H -0.1338 -0.1802 0.4799 0.044 Uiso 1 1 calc R . .
C15 C -0.5792(3) -0.0714(3) 0.0538(2) 0.0259(7) Uani 0.50 1 d PD . 1
H15A H -0.5788 -0.1630 0.0318 0.031 Uiso 0.50 1 calc PR . 1
H15B H -0.6346 -0.0709 0.1038 0.031 Uiso 0.50 1 calc PR . 1
C15A C -0.5643(4) 0.0390(4) 0.0717(2) 0.0359(8) Uani 0.50 1 d PD . 2
H15C H -0.5470 0.1344 0.0767 0.043 Uiso 0.50 1 calc PR . 2
H15D H -0.6206 0.0133 0.1185 0.043 Uiso 0.50 1 calc PR . 2
C16 C -0.3431(2) 0.0479(2) 0.01695(12) 0.0452(5) Uani 1 1 d . . .
H16A H -0.2419 0.1251 0.0419 0.054 Uiso 1 1 calc R . .
H16B H -0.3256 -0.0351 -0.0083 0.054 Uiso 1 1 calc R . .
C17 C -0.3494(2) 0.28980(19) 0.37263(13) 0.0417(4) Uani 1 1 d . . .
H17A H -0.3864 0.2139 0.3987 0.050 Uiso 1 1 calc R . .
H17B H -0.4258 0.3298 0.3713 0.050 Uiso 1 1 calc R . .
C18 C -0.1995(3) 0.3960(2) 0.43133(15) 0.0550(6) Uani 1 1 d . . .
H18A H -0.2130 0.4307 0.4934 0.066 Uiso 1 1 calc R . .
H18B H -0.1249 0.3546 0.4355 0.066 Uiso 1 1 calc R . .
C19 C -0.1265(2) 0.45534(19) 0.30581(16) 0.0487(5) Uani 1 1 d . . .
H19A H -0.0511 0.4142 0.3073 0.058 Uiso 1 1 calc R . .
H19B H -0.0876 0.5316 0.2802 0.058 Uiso 1 1 calc R . .
C20 C -0.2756(2) 0.35097(18) 0.24631(14) 0.0429(5) Uani 1 1 d . . .
H20A H -0.3499 0.3928 0.2426 0.052 Uiso 1 1 calc R . .
H20B H -0.2616 0.3173 0.1842 0.052 Uiso 1 1 calc R . .
O1 O -0.08858(13) -0.04452(10) 0.41098(7) 0.0268(3) Uani 1 1 d . . .
O2 O -0.41910(11) 0.03127(11) 0.09007(7) 0.0261(2) Uani 1 1 d D . .
O3 O -0.33377(13) 0.23888(11) 0.28217(8) 0.0318(3) Uani 1 1 d . . .
O4 O -0.14210(17) 0.50598(13) 0.39538(11) 0.0547(4) Uani 1 1 d . . .
Si1 Si -0.17648(5) -0.33351(4) 0.09257(3) 0.02667(12) Uani 1 1 d . . .
Si2 Si 0.13354(5) 0.16195(4) 0.26266(3) 0.02368(11) Uani 1 1 d . . .
Si3 Si -0.54671(5) -0.24421(4) 0.31562(3) 0.02770(12) Uani 1 1 d D . .
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'
Si Si 0.0817 0.0704 '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
C1 Mg C5 116.47(6) . .
C1 Mg C9 122.64(8) . .
C1 Mg O1 99.66(5) . .
C5 Mg C9 106.94(6) . .
C5 Mg O1 107.91(6) . .
C9 Mg O1 100.73(8) . .
C5 Li H5A 22.3(3) . .
C5 Li H5B 24.3(4) . .
C5 Li C9 103.98(12) . .
C5 Li H9A 116.1(6) . .
C5 Li H9B 116.0(6) . .
C5 Li O2 108.21(13) . .
C5 Li O3 113.27(13) . .
H5A Li H5B 37.1(4) . .
H5A Li C9 108.5(4) . .
H5A Li H9A 127.9(7) . .
H5A Li H9B 110.9(8) . .
H5A Li O2 87.2(3) . .
H5A Li O3 127.0(4) . .
H5B Li C9 124.1(5) . .
H5B Li H9A 127.9(8) . .
H5B Li H9B 139.9(8) . .
H5B Li O2 105.1(5) . .
H5B Li O3 91.1(4) . .
C9 Li H9A 24.6(4) . .
C9 Li H9B 24.5(4) . .
C9 Li O2 117.14(14) . .
C9 Li O3 112.58(14) . .
H9A Li H9B 40.9(5) . .
H9A Li O2 126.0(6) . .
H9A Li O3 87.9(4) . .
H9B Li O2 92.7(4) . .
H9B Li O3 120.4(6) . .
O2 Li O3 101.94(12) . .
Mg C1 H1A 107.7 . .
Mg C1 H1B 107.7 . .
Mg C1 Si1 118.60(8) . .
H1A C1 H1B 107.1 . .
H1A C1 Si1 107.7 . .
H1B C1 Si1 107.7 . .
H2A C2 H2B 109.5 . .
H2A C2 H2C 109.5 . .
H2A C2 Si1 109.5 . .
H2B C2 H2C 109.5 . .
H2B C2 Si1 109.5 . .
H2C C2 Si1 109.5 . .
H3A C3 H3B 109.5 . .
H3A C3 H3C 109.5 . .
H3A C3 Si1 109.5 . .
H3B C3 H3C 109.5 . .
H3B C3 Si1 109.5 . .
H3C C3 Si1 109.5 . .
H4A C4 H4B 109.5 . .
H4A C4 H4C 109.5 . .
H4A C4 Si1 109.5 . .
H4B C4 H4C 109.5 . .
H4B C4 Si1 109.5 . .
H4C C4 Si1 109.5 . .
Mg C5 Li 73.97(8) . .
Mg C5 H5A 98.4(10) . .
Mg C5 H5B 128.3(10) . .
Mg C5 Si2 114.07(7) . .
Li C5 H5A 93.4(10) . .
Li C5 H5B 60.3(10) . .
Li C5 Si2 158.21(11) . .
H5A C5 H5B 106.4(13) . .
H5A C5 Si2 104.9(10) . .
H5B C5 Si2 102.4(10) . .
H6A C6 H6B 109.5 . .
H6A C6 H6C 109.5 . .
H6A C6 Si2 109.5 . .
H6B C6 H6C 109.5 . .
H6B C6 Si2 109.5 . .
H6C C6 Si2 109.5 . .
H7A C7 H7B 109.5 . .
H7A C7 H7C 109.5 . .
H7A C7 Si2 109.5 . .
H7B C7 H7C 109.5 . .
H7B C7 Si2 109.5 . .
H7C C7 Si2 109.5 . .
H8A C8 H8B 109.5 . .
H8A C8 H8C 109.5 . .
H8A C8 Si2 109.5 . .
H8B C8 H8C 109.5 . .
H8B C8 Si2 109.5 . .
H8C C8 Si2 109.5 . .
Mg C9 Li 74.30(9) . .
Mg C9 H9A 120.9(14) . .
Mg C9 H9B 105.9(15) . .
Mg C9 Si3 115.27(9) . .
Li C9 H9A 73.4(14) . .
Li C9 H9B 65.9(14) . .
Li C9 Si3 166.22(15) . .
H9A C9 H9B 104.1(17) . .
H9A C9 Si3 107.2(14) . .
H9B C9 Si3 101.0(15) . .
H10A C10 Si3 109.5 . .
H10B C10 Si3 109.5 . .
H10C C10 Si3 109.5 . .
H11A C11 Si3 109.5 . .
H11B C11 Si3 109.5 . .
H11C C11 Si3 109.5 . .
H12A C12 Si3 109.5 . .
H12B C12 Si3 109.5 . .
H12C C12 Si3 109.5 . .
H10D C10A H10E 109.5 . .
H10D C10A H10F 109.5 . .
H10D C10A Si3 109.5 . .
H10E C10A H10F 109.5 . .
H10E C10A Si3 109.5 . .
H10F C10A Si3 109.5 . .
H11D C11A H11E 109.5 . .
H11D C11A H11F 109.5 . .
H11D C11A Si3 109.5 . .
H11E C11A H11F 109.5 . .
H11E C11A Si3 109.5 . .
H11F C11A Si3 109.5 . .
H12D C12A H12E 109.5 . .
H12D C12A H12F 109.5 . .
H12D C12A Si3 109.5 . .
H12E C12A H12F 109.5 . .
H12E C12A Si3 109.5 . .
H12F C12A Si3 109.5 . .
H13A C13 H13B 108.1 . .
H13A C13 C14 109.6 . 2_556
H13A C13 O1 109.6 . .
H13B C13 C14 109.6 . 2_556
H13B C13 O1 109.6 . .
C14 C13 O1 110.34(14) 2_556 .
C13 C14 H14A 109.5 2_556 .
C13 C14 H14B 109.5 2_556 .
C13 C14 O1 110.61(14) 2_556 .
H14A C14 H14B 108.1 . .
H14A C14 O1 109.5 . .
H14B C14 O1 109.5 . .
H15A C15 H15B 107.8 . .
H15A C15 C16 109.0 . 2_455
H15A C15 O2 109.0 . .
H15B C15 C16 109.0 . 2_455
H15B C15 O2 109.0 . .
C16 C15 O2 113.1(2) 2_455 .
H15C C15A H15D 107.7 . .
H15C C15A C16 108.9 . 2_455
H15C C15A O2 108.9 . .
H15D C15A C16 108.9 . 2_455
H15D C15A O2 108.9 . .
C16 C15A O2 113.3(3) 2_455 .
C15 C16 H16A 108.5 2_455 .
C15 C16 H16B 108.5 2_455 .
C15 C16 O2 115.15(19) 2_455 .
C15A C16 O2 114.25(19) 2_455 .
H16A C16 H16B 107.5 . .
H16A C16 O2 108.5 . .
H16B C16 O2 108.5 . .
H17A C17 H17B 108.1 . .
H17A C17 C18 109.5 . .
H17A C17 O3 109.5 . .
H17B C17 C18 109.5 . .
H17B C17 O3 109.5 . .
C18 C17 O3 110.67(16) . .
C17 C18 H18A 109.4 . .
C17 C18 H18B 109.4 . .
C17 C18 O4 111.08(17) . .
H18A C18 H18B 108.0 . .
H18A C18 O4 109.4 . .
H18B C18 O4 109.4 . .
H19A C19 H19B 108.0 . .
H19A C19 C20 109.4 . .
H19A C19 O4 109.4 . .
H19B C19 C20 109.4 . .
H19B C19 O4 109.4 . .
C20 C19 O4 111.16(17) . .
C19 C20 H20A 109.6 . .
C19 C20 H20B 109.6 . .
C19 C20 O3 110.33(15) . .
H20A C20 H20B 108.1 . .
H20A C20 O3 109.6 . .
H20B C20 O3 109.6 . .
Mg O1 C13 121.95(9) . .
Mg O1 C14 124.82(9) . .
C13 O1 C14 109.94(12) . .
Li O2 C15 118.15(15) . .
Li O2 C15A 118.41(16) . .
Li O2 C16 126.75(12) . .
C15 O2 C15A 45.8(2) . .
C15 O2 C16 110.10(16) . .
C15A O2 C16 110.81(17) . .
Li O3 C17 130.54(13) . .
Li O3 C20 117.89(13) . .
C17 O3 C20 108.81(13) . .
C18 O4 C19 109.12(15) . .
C1 Si1 C2 111.69(8) . .
C1 Si1 C3 113.77(8) . .
C1 Si1 C4 110.05(8) . .
C2 Si1 C3 105.64(9) . .
C2 Si1 C4 107.64(8) . .
C3 Si1 C4 107.75(9) . .
C5 Si2 C6 112.36(8) . .
C5 Si2 C7 110.32(8) . .
C5 Si2 C8 113.48(7) . .
C6 Si2 C7 106.47(9) . .
C6 Si2 C8 106.18(9) . .
C7 Si2 C8 107.65(8) . .
C9 Si3 C10 115.84(12) . .
C9 Si3 C11 115.14(11) . .
C9 Si3 C12 107.55(15) . .
C9 Si3 C10A 98.7(3) . .
C9 Si3 C11A 117.0(2) . .
C9 Si3 C12A 117.4(2) . .
C10 Si3 C11 101.76(15) . .
C10 Si3 C12 107.6(2) . .
C11 Si3 C12 108.5(2) . .
C10A Si3 C11A 113.0(5) . .
C10A Si3 C12A 107.0(4) . .
C11A Si3 C12A 103.6(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Mg C1 2.1493(16) .
Mg C5 2.2311(16) .
Mg C9 2.225(2) .
Mg O1 2.1289(11) .
Li C5 2.278(3) .
Li H5A 2.523(16) .
Li H5B 1.987(17) .
Li C9 2.267(3) .
Li H9A 2.19(2) .
Li H9B 2.07(2) .
Li O2 2.013(3) .
Li O3 1.977(3) .
C1 H1A 0.990 .
C1 H1B 0.990 .
C1 Si1 1.8237(16) .
C2 H2A 0.980 .
C2 H2B 0.980 .
C2 H2C 0.980 .
C2 Si1 1.8775(18) .
C3 H3A 0.980 .
C3 H3B 0.980 .
C3 H3C 0.980 .
C3 Si1 1.8863(18) .
C4 H4A 0.980 .
C4 H4B 0.980 .
C4 H4C 0.980 .
C4 Si1 1.8734(19) .
C5 H5A 0.959(12) .
C5 H5B 0.942(12) .
C5 Si2 1.8446(16) .
C6 H6A 0.980 .
C6 H6B 0.980 .
C6 H6C 0.980 .
C6 Si2 1.8702(18) .
C7 H7A 0.980 .
C7 H7B 0.980 .
C7 H7C 0.980 .
C7 Si2 1.8785(18) .
C8 H8A 0.980 .
C8 H8B 0.980 .
C8 H8C 0.980 .
C8 Si2 1.8721(17) .
C9 H9A 0.954(14) .
C9 H9B 0.940(14) .
C9 Si3 1.8313(18) .
C10 H10A 0.980 .
C10 H10B 0.980 .
C10 H10C 0.980 .
C10 Si3 1.891(3) .
C11 H11A 0.980 .
C11 H11B 0.980 .
C11 H11C 0.980 .
C11 Si3 1.900(3) .
C12 H12A 0.980 .
C12 H12B 0.980 .
C12 H12C 0.980 .
C12 Si3 1.818(3) .
C10A H10D 0.980 .
C10A H10E 0.980 .
C10A H10F 0.980 .
C10A Si3 1.817(6) .
C11A H11D 0.980 .
C11A H11E 0.980 .
C11A H11F 0.980 .
C11A Si3 1.856(5) .
C12A H12D 0.980 .
C12A H12E 0.980 .
C12A H12F 0.980 .
C12A Si3 1.899(5) .
C13 H13A 0.990 .
C13 H13B 0.990 .
C13 C14 1.491(3) 2_556
C13 O1 1.4331(19) .
C14 C13 1.491(3) 2_556
C14 H14A 0.990 .
C14 H14B 0.990 .
C14 O1 1.4424(18) .
C15 H15A 0.990 .
C15 H15B 0.990 .
C15 C16 1.394(4) 2_455
C15 O2 1.486(3) .
C15A H15C 0.990 .
C15A H15D 0.990 .
C15A C16 1.441(4) 2_455
C15A O2 1.436(3) .
C16 C15 1.394(4) 2_455
C16 C15A 1.441(4) 2_455
C16 H16A 0.990 .
C16 H16B 0.990 .
C16 O2 1.433(2) .
C17 H17A 0.990 .
C17 H17B 0.990 .
C17 C18 1.500(3) .
C17 O3 1.429(2) .
C18 H18A 0.990 .
C18 H18B 0.990 .
C18 O4 1.419(2) .
C19 H19A 0.990 .
C19 H19B 0.990 .
C19 C20 1.493(3) .
C19 O4 1.416(3) .
C20 H20A 0.990 .
C20 H20B 0.990 .
C20 O3 1.438(2) .
