Novel vanadium(iii) complexes with bidentate N,N-chelating iminopyrrolide ligands: synthesis, characterization and catalytic behaviour of ethylene polymerization and copolymerization with 10-undecen-1-ol
Xu, Bao-Chang; Hu, Tao; Wu, Ji-Qian; Hu, Ning-Hai; Li, Yue-Sheng; Dalton Transactions  (2009) 8854–8863; doi:10.1039/b909495d

data_7002557
_publ_section_title
;
 Novel vanadium(iii) complexes with bidentate N,N-chelating
 iminopyrrolide ligands: synthesis, characterization and catalytic
 behaviour of ethylene polymerization and copolymerization with
 10-undecen-1-ol
;
_journal_issue                   41
_journal_name_full               'Dalton Transactions'
_journal_page_first              8854
_journal_page_last               8863
_journal_paper_doi               10.1039/b909495d
_journal_year                    2009
_chemical_formula_sum            'C19 H31 Cl2 N2 O2 V'
_chemical_formula_weight         441.30
_chemical_name_systematic
;
?
;
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_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                78.948(4)
_cell_angle_beta                 74.413(4)
_cell_angle_gamma                74.413(4)
_cell_formula_units_Z            4
_cell_length_a                   10.282(3)
_cell_length_b                   14.958(4)
_cell_length_c                   14.958(4)
_cell_measurement_reflns_used    1182
_cell_measurement_temperature    187(2)
_cell_measurement_theta_max      20.17
_cell_measurement_theta_min      2.26
_cell_volume                     2116.6(10)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      187(2)
_diffrn_measured_fraction_theta_full 0.973
_diffrn_measured_fraction_theta_max 0.973
_diffrn_measurement_device_type  'CCD area detector'
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_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
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_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            12077
_diffrn_reflns_theta_full        26.09
_diffrn_reflns_theta_max         26.09
_diffrn_reflns_theta_min         1.43
_exptl_absorpt_coefficient_mu    0.737
_exptl_absorpt_correction_T_max  0.9407
_exptl_absorpt_correction_T_min  0.9287
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_density_diffrn    1.385
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             928
_exptl_crystal_size_max          0.10
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_exptl_crystal_size_min          0.08
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_refine_ls_R_factor_all          0.1681
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_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^)+(0.0826P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1677
_refine_ls_wR_factor_ref         0.2072
_reflns_number_gt                4143
_reflns_number_total             8182
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b909495d.txt
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_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        2116.8(10)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7002557