Crystal structure of (<i>tert</i>-butyldimethylsilyl)triphenylgermane, Ph~3~Ge-SiMe~2~(<i>t</i>-Bu)
Zaitsev, Kirill V.; Zaitseva, Galina S.; Karlov, Sergey S.; Korlyukov, Alexander A.; Acta Crystallographica Section E 71 (2015) o1015–o1016; doi:10.1107/S2056989015022872

data_2241396
_publ_section_title
;
 Crystal structure of (<i>tert</i>-butyldimethylsilyl)triphenylgermane,
 Ph~3~Ge-SiMe~2~(<i>t</i>-Bu)
;
_journal_coeditor_code           IM2474
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o1015
_journal_page_last               o1016
_journal_paper_doi               10.1107/S2056989015022872
_journal_volume                  71
_journal_year                    2015
_chemical_formula_iupac          'C24 H30 Ge Si'
_chemical_formula_moiety         'C24 H30 Ge Si'
_chemical_formula_sum            'C24 H30 Ge Si'
_chemical_formula_weight         419.16
_chemical_name_systematic
;
(<i>tert</i>-Butyldimethylsilyl)triphenylgermane
;
_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'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method
;
Olex2 1.2
(compiled 2015.01.26 svn.r3150 for OlexSys, GUI svn.r4998)
;
_cell_angle_alpha                90
_cell_angle_beta                 106.2048(10)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   13.5332(6)
_cell_length_b                   14.9825(7)
_cell_length_c                   22.7179(13)
_cell_measurement_reflns_used    8565
_cell_measurement_temperature    120
_cell_measurement_theta_max      31.69
_cell_measurement_theta_min      2.45
_cell_volume                     4423.3(4)
_computing_cell_refinement
;
SAINT (Bruker, 2013)
;
_computing_data_collection
;
APEX2 (Bruker, 2013)
;
_computing_data_reduction
;
SAINT (Bruker, 2013)
;
_computing_molecular_graphics
;
<i>OLEX2</i> (Dolomanov <i>et al.</i>,  2009)
;
_computing_publication_material
;
<i>OLEX2</i> (Dolomanov <i>et al.</i>,  2009)
;
_computing_structure_refinement
;
SHELXL2014 (Sheldrick, 2015)
;
_computing_structure_solution
;
SHELXS2014 (Sheldrick, 2008)
;
_diffrn_ambient_temperature      120
_diffrn_detector_area_resol_mean 8
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'Bruker SMART APEXII CCD area-detector'
_diffrn_measurement_method       '\w and \f scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0433
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            32242
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         32.638
_diffrn_reflns_theta_min         1.867
_exptl_absorpt_coefficient_mu    1.444
_exptl_absorpt_correction_T_max  0.8623
_exptl_absorpt_correction_T_min  0.7195
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SADABS; Bruker, 2013)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.259
_exptl_crystal_description       irregular
_exptl_crystal_F_000             1760
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.29
_exptl_crystal_size_min          0.24
_refine_diff_density_max         0.434
_refine_diff_density_min         -0.373
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.010
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     240
_refine_ls_number_reflns         7990
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.010
_refine_ls_R_factor_all          0.0544
_refine_ls_R_factor_gt           0.0325
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0303P)^2^+1.8636P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0644
_refine_ls_wR_factor_ref         0.0709
_reflns_number_gt                6137
_reflns_number_total             7990
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            im2474sup1.cif
_cod_data_source_block           I
_cod_database_code               2241396
_cod_database_fobs_code          2241396
_shelxl_version_number           2014/6