Crystal structure of 1,2-bis[bis(trimethylsilyl)amino]-1,2-dimethyl- 1,2-diphenyl-disilane, [{[(CH~3~)~3~Si]~2~N}(CH~3~)(C~6~H~5~)Si]~2~
E. Popowski; I. Rietz; H. Reinke; M. Köckerling; Zeitschrift für Kristallographie - New Crystal Structures 220 (2005) 83–84; doi:

data_8101705
_publ_contact_author
;
Eckhard Popowski
;
_publ_section_title
;
Crystal structure of 1,2-bis[bis(trimethylsilyl)amino]-1,2-dimethyl-
1,2-diphenyl-disilane, [{[(CH~3~)~3~Si]~2~N}(CH~3~)(C~6~H~5~)Si]~2~
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              83
_journal_page_last               84
_journal_volume                  220
_journal_year                    2005
_chemical_formula_moiety         'C26 H52 N2 Si6'
_chemical_formula_sum            'C26 H52 N2 Si6'
_chemical_formula_weight         561.24
_chemical_melting_point          410
_chemical_name_systematic
; 
 1,2-bis[bis(trimethylsilyl)amino]-1,2-dimethyl-1,2-diphenyl-disilane 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_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                88.94(1)
_cell_angle_beta                 78.80(1)
_cell_angle_gamma                64.14(1)
_cell_formula_units_Z            2
_cell_length_a                   11.179(1)
_cell_length_b                   11.907(1)
_cell_length_c                   14.761(2)
_cell_measurement_reflns_used    38
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      12.507
_cell_measurement_theta_min      5.585
_cell_volume                     1729.5(4)
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_collection       'Bruker XSCANS'
_computing_data_reduction        'Bruker XSCANS'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 1998)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.946
_diffrn_measured_fraction_theta_max 0.946
_diffrn_measurement_device       'Bruker P4'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0538
_diffrn_reflns_av_sigmaI/netI    0.1137
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -1
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            5265
_diffrn_reflns_theta_full        22.79
_diffrn_reflns_theta_max         22.79
_diffrn_reflns_theta_min         1.91
_diffrn_standards_decay_%        0.0
_diffrn_standards_interval_count 97
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.258
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.078
_exptl_crystal_description       'part of prism'
_exptl_crystal_F_000             612
_exptl_crystal_size_max          0.44
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.2
_refine_diff_density_max         0.287
_refine_diff_density_min         -0.293
_refine_diff_density_rms         0.056
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.009
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     307
_refine_ls_number_reflns         4434
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.009
_refine_ls_R_factor_all          0.1331
_refine_ls_R_factor_gt           0.0683
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0696P)^2^+0.7179P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1486
_refine_ls_wR_factor_ref         0.1801
_reflns_number_gt                2597
_reflns_number_total             4434
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            1267-1439.cff
_cod_data_source_block           global
_cod_original_cell_volume        1729.5(3)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               8101705