Stable Alkali-Metal Complexes of Hybrid Disila-Crown Ethers.
Reuter, Kirsten; Buchner, Magnus R.; Thiele, Günther; von Hänisch, Carsten; Inorganic chemistry 55 (2016) 4441–4447; doi:10.1021/acs.inorgchem.6b00267

data_4347512
_publ_section_title
;
 Stable Alkali-Metal Complexes of Hybrid Disila-Crown Ethers.
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_journal_issue                   9
_journal_name_full               'Inorganic chemistry'
_journal_page_first              4441
_journal_page_last               4447
_journal_paper_doi               10.1021/acs.inorgchem.6b00267
_journal_volume                  55
_journal_year                    2016
_chemical_formula_sum            'C11 H24 F3 Li O7 S Si2'
_chemical_formula_weight         420.48
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
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_cell_angle_beta                 93.9527(17)
_cell_angle_gamma                90
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_cell_measurement_reflns_used    9608
_cell_measurement_temperature    100(2)
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_cell_volume                     3934.2(3)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_unetI/netI     0.0236
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            136611
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.985
_diffrn_reflns_theta_min         2.204
_exptl_absorpt_coefficient_mu    0.341
_exptl_absorpt_correction_T_max  0.7455
_exptl_absorpt_correction_T_min  0.6702
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS V2014/4 (Bruker AXS Inc.)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.420
_exptl_crystal_description       needle
_exptl_crystal_F_000             1760
_exptl_crystal_size_max          0.365
_exptl_crystal_size_mid          0.154
_exptl_crystal_size_min          0.126
_refine_diff_density_max         0.700
_refine_diff_density_min         -0.462
_refine_diff_density_rms         0.062
_refine_ls_extinction_method     none
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_refine_ls_matrix_type           full
_refine_ls_number_parameters     459
_refine_ls_number_reflns         8569
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.134
_refine_ls_R_factor_all          0.0433
_refine_ls_R_factor_gt           0.0381
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0242P)^2^+5.4280P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0889
_refine_ls_wR_factor_ref         0.0910
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7751
_reflns_number_total             8569
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ic6b00267_si_004.cif
_cod_data_source_block           KR200_0m
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4347512
_shelx_shelxl_version_number     2014/7
_shelx_res_checksum              3074
_shelx_hkl_checksum              71668