<i>cis</i>-Bis[<i>N</i>^1^,<i>N</i>^2^-bis(trimethylsilyl)benzamidinato-κ^2^<i>N</i>^1^,<i>N</i>^2^]chloro(4-tolylimido-κ<i>N</i>)vanadium(V)
Ellis, Dianne D.; Spek, Anthony L.; Acta Crystallographica Section C 57 (2001) 147–148; doi:10.1107/S010827010001564X

data_2011766
_publ_section_title
<i>cis</i>-Bis[<i>N</i>^1^,<i>N</i>^2^-bis(trimethylsilyl)benzamidinato-\k^2^<i>N</i>^1^,<i>N</i>^2^]chloro(4-tolylimido-\k<i>N</i>)vanadium(V)
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              147
_journal_page_last               148
_journal_paper_doi               10.1107/S010827010001564X
_journal_volume                  57
_journal_year                    2001
_chemical_formula_iupac          '[V Cl (C7 H7 N) (C13 H23 N2 Si2)2]'
_chemical_formula_moiety         'C33 H53 Cl N5 Si4 V'
_chemical_formula_sum            'C33 H53 Cl N5 Si4 V'
_chemical_formula_weight         718.55
_chemical_name_systematic
;
cis-Bis[N^1^,N^2^-bis(trimethylsilyl)benzamidinato-\k^2^N^1^N^2^]-chloro-
(4-tolylimido-\kN)-vanadium(V)
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_audit_creation_method           SHELXL97
_cell_angle_alpha                90
_cell_angle_beta                 109.808(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.1600(5)
_cell_length_b                   18.4257(10)
_cell_length_c                   22.6430(13)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      14.0
_cell_measurement_theta_min      11.5
_cell_volume                     3988.1(4)
_computing_cell_refinement       'SET4 (de Boer & Duisenberg, 1984)'
_computing_data_collection
'Locally modified CAD-4 Software (Enraf-Nonius, 1989)'
_computing_data_reduction        'HELENA (Spek, 1997)'
_computing_molecular_graphics    'PLATON (Spek, 2000)'
_computing_publication_material  'PLATON (Spek, 2000)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'DIRDIF97 (Beurskens et al., 1997)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full .999
_diffrn_measured_fraction_theta_max .999
_diffrn_measurement_device_type  'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_R_equivalents  .027
_diffrn_reflns_av_sigmaI/netI    .082
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            11788
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         1.46
_diffrn_standards_decay_%        1
_diffrn_standards_interval_time  60
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    .464
_exptl_absorpt_correction_T_max  .890
_exptl_absorpt_correction_T_min  .819
_exptl_absorpt_correction_type   refdelf
_exptl_absorpt_process_details   '(PLATON; Spek, 2000)'
_exptl_crystal_colour            'dark red'
_exptl_crystal_density_diffrn    1.197
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1528
_exptl_crystal_size_max          .25
_exptl_crystal_size_mid          .25
_exptl_crystal_size_min          .25
_refine_diff_density_max         .39
_refine_diff_density_min         -.34
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   .99
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     410
_refine_ls_number_reflns         9132
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      .99
_refine_ls_R_factor_all          .102
_refine_ls_R_factor_gt           .052
_refine_ls_shift/su_max          .002
_refine_ls_shift/su_mean         .000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0436P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         .108
_reflns_number_gt                5838
_reflns_number_total             9132
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            gg1031.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2011766
_cod_database_fobs_code          2011766