Ring-Opening Polymerization of THF by Aryloxo-Modified (Imido)vanadium(V)-alkyl Complexes and Ring-Opening Metathesis Polymerization by Highly Active V(CHSiMe3)(NAd)(OC6F5)(PMe3)2
Nomura, Kotohiro; Suzuki, Ken; Katao, Shohei; Matsumoto, Yuichi; Organometallics 31 (2012) 5114–; doi:10.1021/om300463f

data_4078851
_publ_section_title
;
 Ring-Opening Polymerization of THF by Aryloxo-Modified
 (Imido)vanadium(V)-alkyl Complexes and Ring-Opening Metathesis
 Polymerization by Highly Active V(CHSiMe3)(NAd)(OC6F5)(PMe3)2
;
_journal_issue                   14
_journal_name_full               Organometallics
_journal_page_first              5114
_journal_paper_doi               10.1021/om300463f
_journal_volume                  31
_journal_year                    2012
_chemical_formula_moiety         'C26 H43 F5 N O P2 Si V'
_chemical_formula_sum            'C26 H43 F5 N O P2 Si V'
_chemical_formula_weight         621.60
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      4
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.0000
_cell_angle_beta                 106.0177(7)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   12.0924(4)
_cell_length_b                   17.7704(5)
_cell_length_c                   15.3413(5)
_cell_measurement_reflns_used    16228
_cell_measurement_temperature    123
_cell_measurement_theta_max      27.47
_cell_measurement_theta_min      3.06
_cell_volume                     3168.66(17)
_computing_cell_refinement       'RAPID AUTO'
_computing_data_collection       'RAPID AUTO (Rigaku, ????)'
_computing_data_reduction        'RAPID AUTO'
_computing_molecular_graphics    'CrystalStructure 4.0'
_computing_publication_material  'CrystalStructure 4.0 (Rigaku, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'Il Milione (Burla, et al., 2007)'
_diffrn_ambient_temperature      123
_diffrn_detector_area_resol_mean 10.000
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0408
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            31514
_diffrn_reflns_theta_full        27.47
_diffrn_reflns_theta_max         27.47
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.500
_exptl_absorpt_correction_T_max  0.980
_exptl_absorpt_correction_T_min  0.830
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR (Rigaku, 1995)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.303
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1304.00
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.070
_exptl_crystal_size_min          0.040
_refine_diff_density_max         1.110
_refine_diff_density_min         -0.560
_refine_ls_abs_structure_details
'Flack, H. D. (1983), Acta Cryst. A39, 876-881.  6973 Friedel Pairs'
_refine_ls_abs_structure_Flack   0.116(19)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.064
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     685
_refine_ls_number_reflns         14445
_refine_ls_number_restraints     1
_refine_ls_R_factor_gt           0.0517
_refine_ls_shift/su_max          0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0794P)^2^+0.3919P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1361
_reflns_number_gt                12355
_reflns_number_total             14445
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            om300463f_si_002.cif
_cod_data_source_block           AdF5V_2
_cod_original_cell_volume        3168.66(16)
_cod_database_code               4078851