Activation of Polymerization Catalysts: Synthesis and Characterization of Novel Dinuclear Nickel(I) Diimine Complexes
Meinhard, Dieter; Reuter, Peter; Rieger, Bernhard; Organometallics 26 (2007) 751–; doi:10.1021/om060842s

data_4072573
_publ_section_title
;
 Activation of Polymerization Catalysts:&#x00A0; Synthesis and
 Characterization of Novel Dinuclear Nickel(I) Diimine Complexes
;
_journal_issue                   3
_journal_name_full               Organometallics
_journal_page_first              751
_journal_paper_doi               10.1021/om060842s
_journal_volume                  26
_journal_year                    2007
_chemical_formula_moiety         'C56 H80 Br2 N4 Ni2'
_chemical_formula_sum            'C56 H80 Br2 N4 Ni2'
_chemical_formula_weight         1086.48
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_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                 103.48(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   13.714(3)
_cell_length_b                   14.086(3)
_cell_length_c                   14.814(3)
_cell_measurement_temperature    220(2)
_cell_volume                     2782.9(11)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.968
_diffrn_measured_fraction_theta_max 0.969
_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  0.0805
_diffrn_reflns_av_sigmaI/netI    0.0782
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            23528
_diffrn_reflns_theta_full        25.99
_diffrn_reflns_theta_max         25.99
_diffrn_reflns_theta_min         2.02
_exptl_absorpt_coefficient_mu    2.150
_exptl_crystal_density_diffrn    1.297
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1140
_refine_diff_density_max         0.856
_refine_diff_density_min         -0.638
_refine_diff_density_rms         0.073
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.880
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     289
_refine_ls_number_reflns         5287
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.880
_refine_ls_R_factor_all          0.0814
_refine_ls_R_factor_gt           0.0418
_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^)+(0.0447P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0804
_refine_ls_wR_factor_ref         0.0892
_reflns_number_gt                3286
_reflns_number_total             5287
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om060842ssi20060914_100249.cif
_cod_data_source_block           mei596
_cod_original_cell_volume        2783.0(10)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4072573