{1-Methyl-2-[3-(trimethylsilylethynyl)phenylimino]propylidene}[3-(trimethylsilylethynyl)phenyl]amine
Cho, Hyeon Mo; Moore, Jeffrey S.; Wilson, Scott R.; Acta Crystallographica Section E 61 (2005) o3771–o3772; doi:10.1107/S1600536805033088

data_2207296
_publ_section_title
{1-Methyl-2-[3-(trimethylsilylethynyl)phenylimino]propylidene}[3-(trimethylsilylethynyl)phenyl]amine
_journal_coeditor_code           LH6519
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o3771
_journal_page_last               o3772
_journal_paper_doi               10.1107/S1600536805033088
_journal_volume                  61
_journal_year                    2005
_chemical_formula_iupac          'C26 H32 N2 Si2'
_chemical_formula_moiety         'C26 H32 N2 Si2'
_chemical_formula_sum            'C26 H32 N2 Si2'
_chemical_formula_weight         428.72
_chemical_name_systematic
;
{1-Methyl-2-[3-(trimethylsilylethynyl)phenylimino]propylidene}[3-
(trimethylsilylethynyl)phenyl]amine
;
_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                80.458(2)
_cell_angle_beta                 78.076(2)
_cell_angle_gamma                89.318(2)
_cell_formula_units_Z            2
_cell_length_a                   10.5351(3)
_cell_length_b                   11.4008(3)
_cell_length_c                   11.8287(4)
_cell_measurement_reflns_used    7708
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      27.2
_cell_measurement_theta_min      2.3
_cell_volume                     1370.47(7)
_computing_cell_refinement       'SAINT (Bruker, 2001)'
_computing_data_collection       'APEX-II (Bruker, 2004)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    SHELXTL
_computing_publication_material  'XCIF (Bruker, 2001)'
_computing_structure_refinement  SHELXTL
_computing_structure_solution    'SHELXTL (Bruker, 2001)'
_diffrn_ambient_temperature      193(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device       'Bruker Kappa/APEX-II CCD'
_diffrn_measurement_method       'Profile data from \f and \w'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0216
_diffrn_reflns_av_sigmaI/netI    0.0166
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            38376
_diffrn_reflns_theta_full        28.33
_diffrn_reflns_theta_max         28.33
_diffrn_reflns_theta_min         1.78
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.143
_exptl_absorpt_correction_T_max  0.97540
_exptl_absorpt_correction_T_min  0.94782
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   '(SHELXTL/XPREP; Bruker, 2001)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.039
_exptl_crystal_description       prism
_exptl_crystal_F_000             460
_exptl_crystal_size_max          0.48
_exptl_crystal_size_mid          0.34
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.550
_refine_diff_density_min         -0.605
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     460
_refine_ls_number_reflns         6809
_refine_ls_number_restraints     913
_refine_ls_restrained_S_all      1.140
_refine_ls_R_factor_all          0.0733
_refine_ls_R_factor_gt           0.0555
_refine_ls_shift/su_max          0.031
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0772P)^2^+0.4863P] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1506
_refine_ls_wR_factor_ref         0.1659
_reflns_number_gt                5162
_reflns_number_total             6809
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            lh6519.cif
_cod_data_source_block           I
_cod_database_code               2207296
_cod_database_fobs_code          2207296