Indenylnickel(II) N-Heterocyclic Carbene Complexes: Synthesis via Indene Elimination and Catalytic Activity for Ethylene Dimerization
Hong M. Sun; Qing Shao; Dong M. Hu; Wan F. Li; Qi Shen; Yong Zhang; Organometallics 24 (2005) 331–334; doi:10.1021/om049334d

data_4060046
_publ_section_title
;
 Indenylnickel(II) N-Heterocyclic Carbene Complexes: Synthesis via
 Indene Elimination and Catalytic Activity for Ethylene Dimerization
;
_journal_name_full               Organometallics
_journal_page_first              331
_journal_page_last               334
_journal_paper_doi               10.1021/om049334d
_journal_volume                  24
_journal_year                    2005
_chemical_formula_moiety         'C18 H23 Br N2 Ni '
_chemical_formula_sum            'C18 H23 Br N2 Ni'
_chemical_formula_weight         406.00
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 98.458(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.250(2)
_cell_length_b                   10.887(2)
_cell_length_c                   14.630(2)
_cell_measurement_reflns_used    7384
_cell_measurement_temperature    193.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.1
_cell_volume                     1772.5(5)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.6.0'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SHELXS97
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.9944
_diffrn_measured_fraction_theta_max 0.9944
_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  0.034
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            352
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    3.354
_exptl_absorpt_correction_T_max  0.432
_exptl_absorpt_correction_T_min  0.320
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.521
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             832.00
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.39
_exptl_crystal_size_min          0.25
_refine_diff_density_max         0.75
_refine_diff_density_min         -0.47
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.001
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     222
_refine_ls_number_reflns         3122
_refine_ls_R_factor_gt           0.0420
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0004Fo^2^ + 3.0000\s(Fo^2^) + 0.5000]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0980
_reflns_number_gt                3122
_reflns_number_total             4053
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_depositor_comments
;
  The table below was errorneously included into _geom_contact list
  and was commented out.

  Saulius Gra\<zulis
  2009-11-23
;
_cod_original_sg_symbol_Hall     '-p 2yn'
_cod_original_sg_symbol_H-M      'p 21/n'
_cod_original_formula_sum        'C18 H23 Br N2 Ni '
_cod_database_code               4060046