Crystal structure of bis-[tetra-kis-(tetra-hydro-furan-κ<i>O</i>)lithium] bis[μ-2,2',2''-methanetriyltris(4,6-di-<i>tert</i>-butylphenolato)-κ<sup>4</sup><i>O</i>,<i>O</i>':<i>O</i>',<i>O</i>'']-dimagnesiate.
Zhou, Hongyan; Wang, Lei; Acta crystallographica. Section E, Crystallographic communications 73 (2017) 1026–1028; doi:10.1107/S2056989017008337

data_2311389
_publ_section_title
;
 Crystal structure of
 bis-[tetra-kis-(tetra-hydro-furan-\k<i>O</i>)lithium]
 bis[\m-2,2',2''-methanetriyltris(4,6-di-<i>tert</i>-butylphenolato)-\k<sup>4</sup><i>O</i>,<i>O</i>':<i>O</i>',<i>O</i>'']-dimagnesiate.
;
_journal_coeditor_code           ZS2380
_journal_issue                   'Pt 7'
_journal_name_full
'Acta crystallographica. Section E, Crystallographic communications'
_journal_page_first              1026
_journal_page_last               1028
_journal_paper_doi               10.1107/S2056989017008337
_journal_volume                  73
_journal_year                    2017
_chemical_formula_iupac          '[Li (C4 H8 O1)4] [Mg2 (C43 H61 O3)2]'
_chemical_formula_moiety         '2(C16 H32 Li O4 +), C86 H122 Mg2 O6 2-'
_chemical_formula_sum            'C118 H186 Li2 Mg2 O14'
_chemical_formula_weight         1891.17
_chemical_name_systematic
;Bis[tetrakis(tetrahydrofuran-\k<i>O</i>)lithium]
bis[\m-2,2',2''-methanetriyltris(4,6-di-<i>tert</i>-butylphenolato)-\k^4^<i>O</i>,<i>O</i>':<i>O</i>',<i>O</i>'']dimagnesiate
;
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_cell_setting           monoclinic
_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                 90.811(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   13.6185(4)
_cell_length_b                   22.6439(18)
_cell_length_c                   18.5341(6)
_cell_measurement_reflns_used    10054
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.7
_cell_measurement_theta_min      2.5
_cell_volume                     5714.9(5)
_computing_cell_refinement
;
SAINT (Bruker, 2004)
;
_computing_data_collection
;
SMART (Bruker, 2004)
;
_computing_data_reduction
;
SAINT (Bruker, 2004)
;
_computing_molecular_graphics
;
SHELXTL (Sheldrick, 2008)
;
_computing_publication_material
;
publCIF (Westrip, 2010)
;
_computing_structure_refinement
;
SHELXL97 (Sheldrick, 2008)
;
_computing_structure_solution
;
SHELXS97 (Sheldrick, 2008)
;
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker SMART 1000'
_diffrn_measurement_method       'phi and omega 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  0.0576
_diffrn_reflns_av_sigmaI/netI    0.0847
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            26088
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.99
_exptl_absorpt_coefficient_mu    0.079
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.099
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2072
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.19
_refine_diff_density_max         0.434
_refine_diff_density_min         -0.293
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     631
_refine_ls_number_reflns         10054
_refine_ls_number_restraints     1230
_refine_ls_restrained_S_all      1.000
_refine_ls_R_factor_all          0.0940
_refine_ls_R_factor_gt           0.0590
_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/[\s^2^(Fo^2^)+(0.0528P)^2^+0.9025P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1312
_refine_ls_wR_factor_ref         0.1486
_reflns_number_gt                6836
_reflns_number_total             10054
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            zs2380sup1.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2311389