Bis[η^5^-1,3-bis(trimethylsilyl)cyclopentadienyl]vanadium(II)
Chadwick D. Sofield; Marc D. Walter; Richard A. Andersen; Acta Crystallographica Section E 60 (2004) m1296–m1297; doi:10.1107/S1600536804020276

data_2204241
_publ_section_title
;
 Bis[\h^5^-1,3-bis(trimethylsilyl)cyclopentadienyl]vanadium(II)
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1296
_journal_page_last               m1297
_journal_paper_doi               10.1107/S1600536804020276
_journal_volume                  60
_journal_year                    2004
_chemical_formula_iupac          '[V (C11 H21 Si2)2]'
_chemical_formula_moiety         'C22 H42 Si4 V'
_chemical_formula_sum            'C22 H42 Si4 V'
_chemical_formula_weight         469.86
_chemical_name_common            Di(bistrimethylsilylcyclopentadienyl)vanadium
_chemical_name_systematic
;
Bis[\h^5^-1,3-bis(trimethylsilyl)cyclopentadienyl]vanadium(II)
;
_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
_cell_angle_alpha                90.00
_cell_angle_beta                 99.720(8)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.451(4)
_cell_length_b                   18.447(6)
_cell_length_c                   12.676(5)
_cell_measurement_reflns_used    2367
_cell_measurement_temperature    137(2)
_cell_measurement_theta_max      25
_cell_measurement_theta_min      2
_cell_volume                     2869.7(17)
_computing_cell_refinement       'SAINT (Bruker, 2002)'
_computing_data_collection       'SMART (Bruker, 1995-1999)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'ORTEP-3 (Farrugia, 1997)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      137(2)
_diffrn_measured_fraction_theta_full 0.95
_diffrn_measured_fraction_theta_max 0.909
_diffrn_measurement_device_type  'Bruker SMART 1K CCD'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0343
_diffrn_reflns_av_sigmaI/netI    0.0516
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -5
_diffrn_reflns_number            6382
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.46
_diffrn_reflns_theta_min         1.99
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.52
_exptl_absorpt_correction_T_max  0.946
_exptl_absorpt_correction_T_min  0.874
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Blessing, 1995)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.087
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1012
_exptl_crystal_size_max          0.34
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.97
_refine_diff_density_min         -0.33
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.02
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     129
_refine_ls_number_reflns         2432
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.02
_refine_ls_R_factor_all          0.071
_refine_ls_R_factor_gt           0.048
_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^)+(0.0818P)^2^] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.127
_refine_ls_wR_factor_ref         0.134
_reflns_number_gt                1690
_reflns_number_total             2432
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            wk6028.cif
_cod_data_source_block           I
_cod_original_cell_volume        2869.8(17)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2204241
_cod_database_fobs_code          2204241