Bis(1,2-dimethoxyethane)-1κ^2^<i>O</i>,<i>O</i>';3κ^2^<i>O</i>,<i>O</i>'-tetrakis(μ-1,1,1,3,3,3-hexafluoro-2-methylpropan-2-olato)-1:2κ^4^<i>O</i>:<i>O</i>;2:3κ^4^<i>O</i>:<i>O</i>-1,3-dilithium-2-magnesium
Wurst, Klaus; Buchmeiser, Michael R.; Acta Crystallographica Section E 68 (2012) m1106–; doi:10.1107/S1600536812032679

data_2236047
_publ_section_title
;
 Bis(1,2-dimethoxyethane)-1\k^2^<i>O</i>,<i>O</i>';3\k^2^<i>O</i>,<i>O</i>'-tetrakis(\m-1,1,1,3,3,3-hexafluoro-2-methylpropan-2-olato)-1:2\k^4^<i>O</i>:<i>O</i>;2:3\k^4^<i>O</i>:<i>O</i>-1,3-dilithium-2-magnesium
;
_journal_coeditor_code           ZL2496
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1106
_journal_paper_doi               10.1107/S1600536812032679
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac          '[Li2 Mg (C4 H3 F6 O1)4 (C4 H10 O2)2]'
_chemical_formula_moiety         'C24 H32 F24 Li2 Mg O8'
_chemical_formula_sum            'C24 H32 F24 Li2 Mg O8'
_chemical_formula_weight         942.69
_chemical_name_systematic
;
Bis(1,2-dimethoxyethane)-1\k^2^<i>O</i>,<i>O</i>';3\k^2^<i>O</i>,<i>O</i>'-
tetrakis(\m-1,1,1,3,3,3-hexafluoro-2-methylpropan-2-olato)-
1:2\k^4^<i>O</i>:<i>O</i>;2:3\k^4^<i>O</i>:<i>O</i>-1,3-dilithium-2-magnesium
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL97
_cell_angle_alpha                90.00
_cell_angle_beta                 109.041(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   23.8629(4)
_cell_length_b                   9.5396(6)
_cell_length_c                   18.3700(7)
_cell_measurement_reflns_used    10988
_cell_measurement_temperature    233(2)
_cell_measurement_theta_max      25.0
_cell_measurement_theta_min      1.0
_cell_volume                     3953.0(3)
_computing_cell_refinement       'DENZO-SMN (Otwinowski & Minor, 1997)'
_computing_data_collection       'COLLECT (Nonius, 1998)'
_computing_data_reduction        'DENZO/SCALEPACK (Otwinowski & Minor, 1997)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material
;
SHELXTL (Sheldrick, 2008) and publcif (Westrip, 2010)
;
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS86 (Sheldrick, 2008)'
_diffrn_ambient_temperature      233(2)
_diffrn_detector_area_resol_mean 9.1
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       '\f and \w'
_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  0.0311
_diffrn_reflns_av_sigmaI/netI    0.0351
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            10600
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.32
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.198
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.584
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1896
_exptl_crystal_size_max          0.41
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.07
_refine_diff_density_max         0.246
_refine_diff_density_min         -0.319
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.057
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     271
_refine_ls_number_reflns         3490
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.057
_refine_ls_R_factor_all          0.0686
_refine_ls_R_factor_gt           0.0482
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0561P)^2^+3.6053P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1174
_refine_ls_wR_factor_ref         0.1267
_reflns_number_gt                2603
_reflns_number_total             3490
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            zl2496.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2236047
_cod_database_fobs_code          2236047