Tetrachlorido[<i>N</i>^2^,<i>N</i>^2'^-(dimethylsilanediyl)bis(<i>N</i>-<i>tert</i>-butyl-3-methylbenzimidamidato)-κ^2^<i>N</i>^2^,<i>N</i>^2'^]hafnium(IV)
Wang, Tao; Zhao, Jian-Ping; Bai, Sheng-Di; Acta Crystallographica Section E 69 (2013) m654–; doi:10.1107/S1600536813030328

data_2238925
_publ_section_title
;
 Tetrachlorido[<i>N</i>^2^,<i>N</i>^2'^-(dimethylsilanediyl)bis(<i>N</i>-<i>tert</i>-butyl-3-methylbenzimidamidato)-\k^2^<i>N</i>^2^,<i>N</i>^2'^]hafnium(IV)
;
_journal_coeditor_code           SJ5366
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m654
_journal_paper_doi               10.1107/S1600536813030328
_journal_volume                  69
_journal_year                    2013
_chemical_formula_iupac          '[Hf (C26 H40 N4 Si) Cl4]'
_chemical_formula_moiety         'C26 H40 Cl4 Hf N4 Si'
_chemical_formula_sum            'C26 H40 Cl4 Hf N4 Si'
_chemical_formula_weight         757
_chemical_name_systematic
Tetrachlorido[<i>N</i>^2^,<i>N</i>^2'^-(dimethylsilanediyl)bis(<i>N</i>-<i>tert</i>-butyl-3-methylbenzimidamide)-\k^2^<i>N</i>^2^,<i>N</i>^2'^]hafnium(IV)
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_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                 103.276(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.4373(14)
_cell_length_b                   17.992(3)
_cell_length_c                   19.966(3)
_cell_measurement_reflns_used    2487
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      22.062
_cell_measurement_theta_min      2.490
_cell_volume                     3299.5(9)
_computing_cell_refinement       'SAINT (Bruker, 2000)'
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        'SAINT (Bruker, 2000)'
_computing_molecular_graphics    'SHELXTL/PC (Sheldrick, 2008)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker SMART area-detector'
_diffrn_measurement_method       '\f and \w 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  0.0347
_diffrn_reflns_av_sigmaI/netI    0.0410
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            7121
_diffrn_reflns_theta_full        25.05
_diffrn_reflns_theta_max         25.05
_diffrn_reflns_theta_min         2.26
_diffrn_standards_decay_%        5.66
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.543
_exptl_absorpt_correction_T_max  0.8428
_exptl_absorpt_correction_T_min  0.7647
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.524
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             1512
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.532
_refine_diff_density_min         -0.288
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.020
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     169
_refine_ls_number_reflns         2920
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.020
_refine_ls_R_factor_all          0.0384
_refine_ls_R_factor_gt           0.0283
_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^)+(0.0266P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0570
_refine_ls_wR_factor_ref         0.0606
_reflns_number_gt                2446
_reflns_number_total             2920
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            sj5366.cif
_cod_data_source_block           I
_cod_original_cell_volume        3299.5(8)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2238925