Bis{<i>N</i>-[(diethylamino)dimethylsilyl]anilinido-κ^2^<i>N</i>,<i>N</i>'}nickel(II)
Chen, Juan; Li, Jing; Acta Crystallographica Section E 68 (2012) m357–; doi:10.1107/S1600536812008550

data_2234375
_publ_section_title
;
 Bis{<i>N</i>-[(diethylamino)dimethylsilyl]anilinido-\k^2^<i>N</i>,<i>N</i>'}nickel(II)
;
_journal_coeditor_code           RK2340
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m357
_journal_paper_doi               10.1107/S1600536812008550
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac          '[Ni (C12 H21 N2 Si)2]'
_chemical_formula_moiety         'C24 H42 N4 Ni Si2'
_chemical_formula_sum            'C24 H42 N4 Ni Si2'
_chemical_formula_weight         501.49
_chemical_melting_point_gt       451
_chemical_melting_point_lt       452
_chemical_name_systematic
;
Bis{<i>N</i>-[(diethylamino)dimethylsilyl]anilinido-
\k^2^<i>N</i>,<i>N</i>'}nickel(II)
;
_space_group_IT_number           43
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'F 2 -2d'
_symmetry_space_group_name_H-M   'F d d 2'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   21.2631(11)
_cell_length_b                   30.0347(16)
_cell_length_c                   8.6228(5)
_cell_measurement_reflns_used    2035
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      26.356
_cell_measurement_theta_min      2.129
_cell_volume                     5506.8(5)
_computing_cell_refinement       '<i>SAINT</i> (Bruker, 2000)'
_computing_data_collection       '<i>SMART</i> (Bruker, 2000)'
_computing_data_reduction        '<i>SAINT</i> (Bruker, 2000)'
_computing_molecular_graphics    '<i>SHELXTL</i>  (Sheldrick, 2008)'
_computing_publication_material  '<i>SHELXL97</i> (Sheldrick, 2008)'
_computing_structure_refinement  '<i>SHELXL97</i> (Sheldrick, 2008)'
_computing_structure_solution    '<i>SHELXS97</i> (Sheldrick, 2008)'
_diffrn_ambient_temperature      295(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker SMART CCD'
_diffrn_measurement_method       '\f and \w scan'
_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  0.0294
_diffrn_reflns_av_sigmaI/netI    0.0286
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       34
_diffrn_reflns_limit_k_min       -36
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            6217
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         2.35
_exptl_absorpt_coefficient_mu    0.809
_exptl_absorpt_correction_T_max  0.8549
_exptl_absorpt_correction_T_min  0.8233
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(<i>SADABS</i>; Sheldrick, 1996)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.210
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             2160
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.477
_refine_diff_density_min         -0.199
_refine_ls_abs_structure_details 'Flack (1983), 1038 Friedel pairs'
_refine_ls_abs_structure_Flack   0.012(17)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     141
_refine_ls_number_reflns         2414
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.041
_refine_ls_R_factor_all          0.0462
_refine_ls_R_factor_gt           0.0399
_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^)+(0.0724P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1001
_refine_ls_wR_factor_ref         0.1041
_reflns_number_gt                2145
_reflns_number_total             2414
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            rk2340.cif
_cod_data_source_block           I
_cod_database_code               2234375
_cod_database_fobs_code          2234375