Synthesis of Salicylaldiminato-Functionalized N-Heterocyclic Carbene Complex of Nickel(II) and Its Catalytic Activity for Styrene Polymerization
Li, Wanfei; Sun, Hongmei; Chen, Muzi; Wang, Zhiguo; Hu, Dongmei; Shen, Qi; Zhang, Yong; Organometallics 24 (2005) 5925–; doi:10.1021/om050612y

data_4076117
_publ_section_title
;
 Synthesis of Salicylaldiminato-Functionalized N-Heterocyclic Carbene
 Complex of Nickel(II) and Its Catalytic Activity for Styrene
 Polymerization
;
_journal_issue                   24
_journal_name_full               Organometallics
_journal_page_first              5925
_journal_paper_doi               10.1021/om050612y
_journal_volume                  24
_journal_year                    2005
_chemical_formula_moiety         'C30.50 H48 Br N3 O2 Ni '
_chemical_formula_sum            'C30.5 H48 Br N3 Ni O2'
_chemical_formula_weight         627.34
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                80.97(2)
_cell_angle_beta                 79.34(2)
_cell_angle_gamma                64.36(1)
_cell_formula_units_Z            2
_cell_length_a                   8.527(2)
_cell_length_b                   11.504(2)
_cell_length_c                   18.451(4)
_cell_measurement_reflns_used    4988
_cell_measurement_temperature    193.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     1597.5(6)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure Ver. 3.5.1'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    'DIRDIF99 (PATTY)'
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.9844
_diffrn_measured_fraction_theta_max 0.9844
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.068
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            36298
_diffrn_reflns_theta_full        27.47
_diffrn_reflns_theta_max         27.47
_exptl_absorpt_coefficient_mu    1.891
_exptl_absorpt_correction_T_max  0.910
_exptl_absorpt_correction_T_min  0.696
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            dark-Red
_exptl_crystal_density_diffrn    1.304
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             662.00
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.83
_refine_diff_density_min         -0.82
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.003
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     392
_refine_ls_number_reflns         4704
_refine_ls_R_factor_gt           0.0740
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0030Fo^2^ + 1.0000\s(Fo^2^)]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1720
_reflns_number_gt                4646
_reflns_number_total             7196
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            om050612ysi20050721_124452.cif
_cod_data_source_block           '__complex_3'
_cod_original_formula_sum        'C23 H34 Br N3 Ni O, 0.5(C7 H8), C4 H10 O'
_cod_database_code               4076117