Vinyl Polymerization of Norbornene on Nickel Complexes with Bis(imino)pyridine Ligands Containing Electron-Withdrawing Groups
Antonov, Artem A.; Semikolenova, Nina V.; Zakharov, Vladimir A.; Zhang, Wenjuan; Wang, Youhong; Sun, Wen-Hua; Talsi, Evgenii P.; Bryliakov, Konstantin P.; Organometallics 31 (2012) 1143–; doi:10.1021/om201213v

data_4068202
_publ_section_title
;
 Vinyl Polymerization of Norbornene on Nickel Complexes with
 Bis(imino)pyridine Ligands Containing Electron-Withdrawing Groups
;
_journal_issue                   3
_journal_name_full               Organometallics
_journal_page_first              1143
_journal_paper_doi               10.1021/om201213v
_journal_volume                  31
_journal_year                    2012
_chemical_formula_sum            'C23 H17 Cl2 F6 N3 Ni'
_chemical_formula_weight         579.01
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   15.329(3)
_cell_length_b                   17.834(4)
_cell_length_c                   19.773(4)
_cell_measurement_reflns_used    10667
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      27.4777
_cell_measurement_theta_min      1.1418
_cell_volume                     5405.5(19)
_computing_cell_refinement       'CrystalClear (Rigaku Inc., 2007)'
_computing_data_collection       'CrystalClear (Rigaku Inc., 2007)'
_computing_data_reduction        'CrystalClear (Rigaku Inc., 2007)'
_computing_molecular_graphics    'XP in Siemens SHELXTL (Sheldrick, 1994)'
_computing_publication_material  'SHELX97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Saturn724+ CCD'
_diffrn_measurement_method       '\w scans at fixed \c = 45\%'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0439
_diffrn_reflns_av_sigmaI/netI    0.0674
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            13272
_diffrn_reflns_theta_full        27.45
_diffrn_reflns_theta_max         27.45
_diffrn_reflns_theta_min         2.03
_exptl_absorpt_coefficient_mu    0.972
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.6437
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.423
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Plate
_exptl_crystal_F_000             2336
_exptl_crystal_size_max          0.2500
_exptl_crystal_size_mid          0.2000
_exptl_crystal_size_min          0.1200
_platon_squeeze_details          ' ? END;'
_refine_diff_density_max         1.014
_refine_diff_density_min         -0.773
_refine_diff_density_rms         0.124
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.168
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     306
_refine_ls_number_reflns         6129
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.168
_refine_ls_R_factor_all          0.1011
_refine_ls_R_factor_gt           0.0838
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0889P)^2^+13.7237P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_wR_factor_gt          0.2099
_refine_ls_wR_factor_ref         0.2249
_reflns_number_gt                4867
_reflns_number_total             6129
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om201213v_si_001.cif
_cod_data_source_block           a
_cod_original_cell_volume        5405.7(19)
_cod_original_sg_symbol_H-M      p_b_c_a
_cod_database_code               4068202