Easy Access to Silicon(0) and Silicon(II) Compounds
Kartik Chandra Mondal; Prinson P. Samuel; Mykyta Tretiakov; Amit Pratap Singh; Herbert W. Roesky; A. Claudia Stückl; Benedikt Niepötter; Elena Carl; Hilke Wolf; Regine Herbst-Irmer; Dietmar Stalke; Inorganic Chemistry 52 (2013) 4736–4743; doi:10.1021/ic400357p

data_4334541
_publ_contact_author_address
;University of G\"ottingen
Institut f\"ur Anorganische Chemie 
Tammannstra\&se 4
D-37077 G\"ottingen
Germany
;
_publ_contact_author_email       bniepoe@gwdg.de
_publ_contact_author_fax         '+49 551 393459''
_publ_contact_author_name        'Benedikt Niep\"otter'
_publ_contact_author_phone       '+49 551 393073'
_publ_section_title
;
 Easy Access to Silicon(0) and Silicon(II) Compounds
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4736
_journal_page_last               4743
_journal_paper_doi               10.1021/ic400357p
_journal_volume                  52
_journal_year                    2013
_chemical_formula_moiety         'C46 H70 Cl2 N2 Si, 0.5(C6 H14)'
_chemical_formula_sum            'C49 H77 Cl2 N2 Si'
_chemical_formula_weight         793.11
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2012
_cell_angle_alpha                90
_cell_angle_beta                 93.19(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.155(2)
_cell_length_b                   16.641(3)
_cell_length_c                   20.634(2)
_cell_measurement_reflns_used    5170
_cell_measurement_temperature    101(2)
_cell_measurement_theta_max      24.9075
_cell_measurement_theta_min      2.247
_cell_volume                     4510.0(12)
_computing_cell_refinement       'SAINT v7.68a'
_computing_data_collection       'APEX2 v2.2012.2-0'
_computing_data_reduction        'SAINT v7.68a'
_computing_molecular_graphics    'XSHELL in SHELXTL-97'
_computing_publication_material  'XSHELL in SHELXTL-97'
_computing_structure_refinement  'SHELXL-2012 (Sheldrick, 2012)'
_computing_structure_solution    'SHELXS in SHELXTL Version 2008/4'
_diffrn_ambient_temperature      101(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker Smart APEX II Ultra'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0579
_diffrn_reflns_av_unetI/netI     0.0503
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            34456
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         25.131
_diffrn_reflns_theta_min         1.573
_diffrn_source                   'rotating anode (TXS)'
_exptl_absorpt_coefficient_mu    0.205
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.8934
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS-2012/1, Sheldrick, Goettingen'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.168
_exptl_crystal_description       block
_exptl_crystal_F_000             1732
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.050
_exptl_crystal_size_min          0.050
_refine_diff_density_max         0.276
_refine_diff_density_min         -0.310
_refine_diff_density_rms         0.047
_refine_ls_extinction_coef       0.00059(15)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.007
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     622
_refine_ls_number_reflns         8062
_refine_ls_number_restraints     796
_refine_ls_restrained_S_all      0.996
_refine_ls_R_factor_all          0.0684
_refine_ls_R_factor_gt           0.0402
_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^)+(0.0381P)^2^+2.0618P]
 where P=(Fo^2^+2Fc^2^)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0845
_refine_ls_wR_factor_ref         0.0943
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5876
_reflns_number_total             8062
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ic400357p_si_001_2.cif
_cod_data_source_block           4
_cod_database_code               4334541
_shelx_estimated_absorpt_t_min   0.980
_shelx_estimated_absorpt_t_max   0.990
_shelxl_version_number           2012-6
_shelx_res_checksum              10746