Synthesis and Structure of Ethynylsilyllithiums
Kira, Mitsuo; Kadowaki, Tomoyuki; Yin, Dongzhu; Sakamoto, Kenkichi; Iwamoto, Takeaki; Kabuto, Chizuko; Organometallics 26 (2007) 4890–; doi:10.1021/om0611103

data_4072875
_publ_section_title
;
 Synthesis and Structure of Ethynylsilyllithiums
;
_journal_issue                   20
_journal_name_full               Organometallics
_journal_page_first              4890
_journal_paper_doi               10.1021/om0611103
_journal_volume                  26
_journal_year                    2007
_chemical_formula_moiety         'C42 H94 Li2 O2 Si8 '
_chemical_formula_sum            'C42 H94 Li2 O2 Si8'
_chemical_formula_weight         869.77
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 105.534(6)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.469(2)
_cell_length_b                   19.335(2)
_cell_length_c                   23.561(3)
_cell_measurement_reflns_used    7401
_cell_measurement_temperature    150.2
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.2
_cell_volume                     5472.8(13)
_computing_cell_refinement       CRYSTALCLEAR
_computing_data_collection       CRYSTALCLEAR
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  SHELXL97
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 14.62
_diffrn_measurement_device_type  'Rigaku/MSC Mercury CCD'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.000
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            440
_diffrn_reflns_theta_max         25.00
_exptl_absorpt_coefficient_mu    0.226
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.055
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.200
_refine_diff_density_max         0.67
_refine_diff_density_min         -0.61
_refine_ls_extinction_coef       0.0000
_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   0.709
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     442
_refine_ls_number_reflns         4669
_refine_ls_R_factor_gt           0.0818
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.1890P)^2^+40.6283P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.3157
_reflns_number_gt                4669
_reflns_number_total             9447
_reflns_threshold_expression     >2.0sigma(I)
_cod_data_source_file            om0611103-file001.cif
_cod_data_source_block           silyllithium
_cod_original_cell_volume        5473(1)
_cod_original_formula_sum        'C42 H94 Li2 O2 Si8 '
_cod_database_code               4072875