Bis{[2-(dimethylamino)phenyl](trimethylsilyl)methyl}cadmium
Li, Min; Acta Crystallographica Section E 68 (2012) m166–; doi:10.1107/S1600536812001079

data_2233577
_publ_section_title
;
 Bis{[2-(dimethylamino)phenyl](trimethylsilyl)methyl}cadmium
;
_journal_coeditor_code           NC2262
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m166
_journal_paper_doi               10.1107/S1600536812001079
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac          '[Cd (C12 H20 N1 Si1)2]'
_chemical_formula_sum            'C24 H40 Cd N2 Si2'
_chemical_formula_weight         525.16
_chemical_name_systematic
;
Bis{[2-(dimethylamino)phenyl](trimethylsilyl)methyl}cadmium
;
_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                87.80(4)
_cell_angle_beta                 88.31(3)
_cell_angle_gamma                77.30(5)
_cell_formula_units_Z            2
_cell_length_a                   9.341(6)
_cell_length_b                   11.011(5)
_cell_length_c                   13.605(8)
_cell_measurement_reflns_used    3359
_cell_measurement_temperature    230(2)
_cell_measurement_theta_max      27.66
_cell_measurement_theta_min      2.25
_cell_volume                     1363.8(14)
_computing_cell_refinement       'SAINT (Siemens, 1996)'
_computing_data_collection       'SMART (Siemens, 1996)'
_computing_data_reduction        'SAINT (Siemens, 1996)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      230(2)
_diffrn_measured_fraction_theta_full 0.980
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measurement_device_type  'Bruker SMART APEX CCD'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0148
_diffrn_reflns_av_sigmaI/netI    0.0354
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            5641
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.50
_exptl_absorpt_coefficient_mu    0.901
_exptl_absorpt_correction_T_max  0.7739
_exptl_absorpt_correction_T_min  0.7146
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.279
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       stick
_exptl_crystal_F_000             548
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.30
_refine_diff_density_max         0.596
_refine_diff_density_min         -0.237
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.087
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     280
_refine_ls_number_reflns         4701
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.087
_refine_ls_R_factor_all          0.0492
_refine_ls_R_factor_gt           0.0407
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0331P)^2^+0.7748P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0828
_refine_ls_wR_factor_ref         0.0864
_reflns_number_gt                4067
_reflns_number_total             4701
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            nc2262.cif
_cod_data_source_block           I
_cod_original_cell_volume        1363.7(13)
_cod_database_code               2233577
_cod_database_fobs_code          2233577