Synthesis of vanadium(III) complexes bearing iminopyrrolyl ligands and their role as thermal robust ethylene (co)polymerization catalysts.
Mu, Jing-Shan; Wang, Yong-Xia; Li, Bai-Xiang; Li, Yue-Sheng; Dalton transactions (Cambridge, England : 2003) 40 (2011) 3490–3497; doi:10.1039/c0dt01650k

data_7015479
_publ_section_title
;
 Synthesis of vanadium(III) complexes bearing iminopyrrolyl ligands and
 their role as thermal robust ethylene (co)polymerization catalysts.
;
_journal_issue                   14
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3490
_journal_page_last               3497
_journal_paper_doi               10.1039/c0dt01650k
_journal_volume                  40
_journal_year                    2011
_chemical_formula_sum            'C38 H54 Cl2 N3 O2 V'
_chemical_formula_weight         706.68
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                95.5610(10)
_cell_angle_beta                 106.3050(10)
_cell_angle_gamma                90.2220(10)
_cell_formula_units_Z            2
_cell_length_a                   9.3696(7)
_cell_length_b                   15.8826(12)
_cell_length_c                   16.5052(13)
_cell_measurement_temperature    185(2)
_cell_volume                     2345.1(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      185(2)
_diffrn_measured_fraction_theta_full 0.975
_diffrn_measured_fraction_theta_max 0.975
_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  0.0217
_diffrn_reflns_av_sigmaI/netI    0.0554
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            13264
_diffrn_reflns_theta_full        26.04
_diffrn_reflns_theta_max         26.04
_diffrn_reflns_theta_min         1.29
_exptl_absorpt_coefficient_mu    0.354
_exptl_absorpt_correction_T_max  0.9621
_exptl_absorpt_correction_T_min  0.8952
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_density_diffrn    1.001
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             752
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.11
_platon_squeeze_details
;
;
_refine_diff_density_max         0.339
_refine_diff_density_min         -0.337
_refine_diff_density_rms         0.054
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.982
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     425
_refine_ls_number_reflns         9045
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.982
_refine_ls_R_factor_all          0.0706
_refine_ls_R_factor_gt           0.0492
_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^)+(0.0686P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1194
_refine_ls_wR_factor_ref         0.1289
_reflns_number_gt                6449
_reflns_number_total             9045
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c0dt01650k.txt
_cod_data_source_block           t129
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7015479