Crystal structure of 1,1,4,4-tetramethyl-2,2,3,3-tetraphenyl-tetrasilane, [(CH~3~)~2~(H)Si(C~6~H~5~)~2~Si]~2~
Harloff, J.; Reinke, H.; Köckerling, M.; Popowski, E.; Zeitschrift für Kristallographie - New Crystal Structures 220 (2005) 627–628; doi:

data_8101890
_publ_section_title
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Crystal structure of 1,1,4,4-tetramethyl-2,2,3,3-tetraphenyl-tetrasilane, 
[(CH~3~)~2~(H)Si(C~6~H~5~)~2~Si]~2~
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_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              627
_journal_page_last               628
_journal_volume                  220
_journal_year                    2005
_chemical_formula_moiety         '[(CH3)2(H)Si(C6H5)2Si]2'
_chemical_formula_structural     '[(CH3)2(H)Si(C6H5)2Si]2'
_chemical_formula_sum            'C28 H34 Si4'
_chemical_formula_weight         482.91
_chemical_melting_point_gt       102
_chemical_melting_point_lt       103
_chemical_name_systematic
1,1,4,4-tetramethyl-2,2,3,3-tetraphenyl-tetrasilane
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                85.51(1)
_cell_angle_beta                 88.99(2)
_cell_angle_gamma                62.45(1)
_cell_formula_units_Z            2
_cell_length_a                   10.149(2)
_cell_length_b                   10.712(2)
_cell_length_c                   15.148(3)
_cell_measurement_reflns_used    32
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      32.821
_cell_measurement_theta_min      5.362
_cell_volume                     1455.3(5)
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_collection       'Bruker XSCANS'
_computing_data_reduction        'Bruker XSCANS'
_computing_molecular_graphics    'DIAMOND [8]'
_computing_structure_refinement  'SHELXL-97 [7]'
_computing_structure_solution    'SHELXS-97 [7]'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       omega
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0314
_diffrn_reflns_av_sigmaI/netI    0.0640
_diffrn_reflns_limit_h_max       1
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            4311
_diffrn_reflns_theta_full        22.00
_diffrn_reflns_theta_max         22.00
_diffrn_reflns_theta_min         2.15
_diffrn_source                   'normal-focus sealed tube'
_diffrn_standards_decay_%        0.0
_diffrn_standards_interval_count 97
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.218
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.102
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             516
_exptl_crystal_size_max          0.77
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.22
_refine_diff_density_max         0.317
_refine_diff_density_min         -0.174
_refine_diff_density_rms         0.042
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     297
_refine_ls_number_reflns         3568
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.044
_refine_ls_R_factor_all          0.0664
_refine_ls_R_factor_gt           0.0487
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0625P)^2^+0.2308P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1270
_refine_ls_wR_factor_ref         0.1397
_reflns_number_gt                2727
_reflns_number_total             3568
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            1267-1680.cff
_cod_data_source_block           jh78r3
_cod_depositor_comments
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'_geom_angle_publ_flag' value 'N' changed to 'n' according to
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Automatic conversion script
Id: cif_fix_enum 1555 2011-01-17 13:19:09Z saulius 
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_cod_database_code               8101890