An approach to creating novel anions: silylated triel compounds with –CH~2~– and –O– linkers, [InCl~2~{O(HO)Si(<i>t</i>-Bu)~2~}]~2~ and Li[B(CH~2~SiMe~3~)~4~]
Scholz, Stefan; Vitze, Hannes; Bolte, Michael; Lerner, Hans-Wolfram; Acta Crystallographica Section C 69 (2013) 569–572; doi:10.1107/S0108270113009311

data_2019011
_publ_section_title
;
 An approach to creating novel anions: silylated triel compounds with
 --CH~2~-- and --O-- linkers, [InCl~2~{O(HO)Si(<i>t</i>-Bu)~2~}]~2~ and
 Li[B(CH~2~SiMe~3~)~4~]
;
_journal_coeditor_code           WQ3030
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              569
_journal_page_last               572
_journal_paper_doi               10.1107/S0108270113009311
_journal_volume                  69
_journal_year                    2013
_chemical_formula_iupac          '[Li (C4 H8 O)4] (C16 H44 B Si4)'
_chemical_formula_moiety         'C16 H32 Li O4 +, C16 H44 B Si4 -'
_chemical_formula_sum            'C32 H76 B Li O4 Si4'
_chemical_formula_weight         655.04
_chemical_name_systematic
;
Tetrakis(tetrahydrofuran)lithium tetrakis[(trimethylsilyl)methyl]borate
;
_space_group_IT_number           7
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P -2yac'
_symmetry_space_group_name_H-M   'P 1 n 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                 93.153(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   10.5661(7)
_cell_length_b                   11.7334(10)
_cell_length_c                   18.1342(12)
_cell_measurement_reflns_used    10358
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      25.2
_cell_measurement_theta_min      3.5
_cell_volume                     2244.8(3)
_computing_cell_refinement       'X-AREA (Stoe & Cie, 2002)'
_computing_data_collection       'X-AREA (Stoe & Cie, 2002)'
_computing_data_reduction        'X-AREA (Stoe & Cie, 2002)'
_computing_molecular_graphics    'XP (Sheldrick, 2008)'
_computing_publication_material  'publCIF (Westrip, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Stoe IPDS II two-circle'
_diffrn_measurement_method       \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  0.0889
_diffrn_reflns_av_sigmaI/netI    0.1365
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            30264
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.67
_diffrn_reflns_theta_min         3.47
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.160
_exptl_absorpt_correction_T_max  0.9687
_exptl_absorpt_correction_T_min  0.9506
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(MULABS; Spek, 2009; Blessing, 1995)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    0.969
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             728
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.31
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.243
_refine_diff_density_min         -0.244
_refine_ls_abs_structure_details 'Flack (1983), with 4774 Friedel pairs'
_refine_ls_abs_structure_Flack   0.17(16)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.960
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     445
_refine_ls_number_reflns         8399
_refine_ls_number_restraints     91
_refine_ls_restrained_S_all      0.968
_refine_ls_R_factor_all          0.1299
_refine_ls_R_factor_gt           0.0706
_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^)+(0.0412P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1163
_refine_ls_wR_factor_ref         0.1354
_reflns_number_gt                4944
_reflns_number_total             8399
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            wq3030.cif
_cod_data_source_block           II
_cod_original_sg_symbol_H-M      'P n'
_cod_database_code               2019011
_cod_database_fobs_code          2019011