A Vanadium(V) Alkylidene Complex Exhibiting Remarkable Catalytic Activity for Ring-Opening Metathesis Polymerization (ROMP)
Yamada, Junji; Fujiki, Michiya; Nomura, Kotohiro; Organometallics 24 (2005) 2248–2250; doi:10.1021/om0501834

data_1100903
_publ_section_title
;
 A Vanadium(V) Alkylidene Complex Exhibiting Remarkable Catalytic
 Activity for Ring-Opening Metathesis Polymerization (ROMP)
;
_journal_issue                   10
_journal_name_full               Organometallics
_journal_page_first              2248
_journal_page_last               2250
_journal_paper_doi               10.1021/om0501834
_journal_volume                  24
_journal_year                    2005
_chemical_formula_moiety         'C20 H36 Cl2 N2 P V '
_chemical_formula_sum            'C20 H36 Cl2 N2 P V'
_chemical_formula_weight         457.34
_chemical_melting_point          ?
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 95.857(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.838(1)
_cell_length_b                   12.565(2)
_cell_length_c                   20.509(3)
_cell_measurement_reflns_used    14391
_cell_measurement_temperature    243.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      1.6
_cell_volume                     2521.9(6)
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.9214
_diffrn_measured_fraction_theta_max 0.9214
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  ?
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            5592
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_exptl_absorpt_coefficient_mu    0.675
_exptl_absorpt_correction_T_max  0.800
_exptl_absorpt_correction_T_min  0.800
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
    Higashi, T. (1995). Program for Absorption Correction.
    Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.204
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             968.00
_exptl_crystal_size_max          0.42
_exptl_crystal_size_mid          0.33
_exptl_crystal_size_min          0.33
_refine_diff_density_max         0.52
_refine_diff_density_min         -0.33
_refine_ls_extinction_coef       ?
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.064
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     286
_refine_ls_number_reflns         2912
_refine_ls_R_factor_gt           0.0570
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details
;
    Chebychev polynomial with 3 parameters (Carruthers & Watkin, 1979)
    0.1844    0.1470    0.0211
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0680
_reflns_number_gt                2912
_reflns_number_total             5398
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_original_formula_sum        'C20 H36 Cl2 N2 P V '
_cod_database_code               1100903