Lewis acidity of Si6Cl12 and its role as convenient SiCl2 source.
Tillmann, Jan; Moxter, Maximilian; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias; Inorganic chemistry 54 (2015) 9611–9618; doi:10.1021/acs.inorgchem.5b01703

data_4346576
_publ_section_title
;
 Lewis acidity of Si6Cl12 and its role as convenient SiCl2 source.
;
_journal_issue                   19
_journal_name_full               'Inorganic chemistry'
_journal_page_first              9611
_journal_page_last               9618
_journal_paper_doi               10.1021/acs.inorgchem.5b01703
_journal_volume                  54
_journal_year                    2015
_chemical_formula_moiety         'Cl12 Si6, 2(C16 H36 N), 2(Al Cl4)'
_chemical_formula_sum            'C32 H72 Al2 Cl20 N2 Si6'
_chemical_formula_weight         1416.41
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2013
_cell_angle_alpha                90
_cell_angle_beta                 103.759(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   20.3059(13)
_cell_length_b                   12.0325(5)
_cell_length_c                   27.9854(17)
_cell_measurement_reflns_used    39170
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      26.5
_cell_measurement_theta_min      1.5
_cell_volume                     6641.5(7)
_computing_cell_refinement       'X-Area (Stoe & Cie, 2001)'
_computing_data_collection       'X-Area (Stoe & Cie, 2001)'
_computing_data_reduction        'X-Area (Stoe & Cie, 2001)'
_computing_molecular_graphics    'XP in SHELXTL-Plus (Sheldrick, 2008)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS (Sheldrick, 2008)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'STOE IPDS II two-circle-diffractometer'
_diffrn_measurement_method       \w
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0988
_diffrn_reflns_av_unetI/netI     0.0547
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -6
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            28729
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         25.954
_diffrn_reflns_theta_min         1.983
_diffrn_source                   'Genix 3D I\mS microfocus X-ray source'
_exptl_absorpt_coefficient_mu    0.984
_exptl_absorpt_correction_T_max  0.952
_exptl_absorpt_correction_T_min  0.828
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'X-Area (Stoe & Cie, 2001)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.417
_exptl_crystal_description       block
_exptl_crystal_F_000             2912
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.050
_refine_diff_density_max         0.846
_refine_diff_density_min         -0.521
_refine_diff_density_rms         0.121
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.105
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     281
_refine_ls_number_reflns         6461
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.105
_refine_ls_R_factor_all          0.1001
_refine_ls_R_factor_gt           0.0898
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0994P)^2^+59.1778P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2577
_refine_ls_wR_factor_ref         0.2635
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5268
_reflns_number_total             6461
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ic5b01703_si_002.cif
_cod_data_source_block           wa1830
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4346576
_shelx_estimated_absorpt_t_min   0.828
_shelx_estimated_absorpt_t_max   0.952
_shelxl_version_number           2013-3
_shelx_res_checksum              52295
_shelx_hkl_checksum              26578