<i>N</i>,<i>N</i>'-Bis(2,6-dimethylphenyl)-2-methyl-1-(trimethylsilyl)ethane-1,2-diimine
D. J. Loroño-González; Acta Crystallographica Section E 62 (2006) o2741–o2742; doi:10.1107/S1600536806021003

data_2209719
_publ_section_title
<i>N</i>,<i>N</i>'-Bis(2,6-dimethylphenyl)-2-methyl-1-(trimethylsilyl)ethane-1,2-diimine
_journal_coeditor_code           YM2004
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o2741
_journal_page_last               o2742
_journal_paper_doi               10.1107/S1600536806021003
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac          'C22 H30 N2 Si'
_chemical_formula_moiety         'C22 H30 N2 Si'
_chemical_formula_sum            'C22 H30 N2 Si'
_chemical_formula_weight         350.57
_chemical_name_common
;
1-Trimethylsilyl-2-methyl-1,2-bis(2,6-dimethylphenyl isonitrile)
;
_chemical_name_systematic
;
1-Trimethylsilyl-2-methyl-1,2-bis(2,6-dimethylphenyl isonitrile)
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 92.692(8)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.159(5)
_cell_length_b                   12.612(8)
_cell_length_c                   20.486(12)
_cell_measurement_reflns_used    4520
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      2.5
_cell_volume                     2106(2)
_computing_cell_refinement       'SAINT (Bruker, 2002)'
_computing_data_collection       'SMART (Bruker, 2001)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXTL (Sheldrick, 1994)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type
'Bruker SMART APEX CCD with an Oxford Cryosystems low-temperature device'
_diffrn_measurement_method       '\f and \w'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'normal-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1222
_diffrn_reflns_av_sigmaI/netI    0.1903
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            11514
_diffrn_reflns_theta_full        25.905
_diffrn_reflns_theta_max         26.434
_diffrn_reflns_theta_min         1.897
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.118
_exptl_absorpt_correction_T_max  0.997
_exptl_absorpt_correction_T_min  0.967
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            'Light orange'
_exptl_crystal_density_diffrn    1.106
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Plate
_exptl_crystal_F_000             760
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.09
_refine_diff_density_max         0.347
_refine_diff_density_min         -0.276
_refine_ls_extinction_coef       0.021(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL97
_refine_ls_goodness_of_fit_ref   0.933
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     269
_refine_ls_number_reflns         3308
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.933
_refine_ls_R_factor_all          0.2159
_refine_ls_R_factor_gt           0.0765
_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^)+(0.0932P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1749
_refine_ls_wR_factor_ref         0.2180
_reflns_number_gt                3308
_reflns_number_total             4258
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ym2004.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2209719
_cod_database_fobs_code          2209719