Synthesis of New Polydentate Nitrogen Ligands and Their Use in Ethylene Polymerization in Conjunction with Iron(II) and Cobalt(II) Bis-halides and Methylaluminoxane
Barbaro, Pierluigi; Bianchini, Claudio; Giambastiani, Giuliano; Rios, Itzel Guerrero; Meli, Andrea; Oberhauser, Werner; Segarra, Anna M.; Sorace, Lorenzo; Toti, Alessandro; Organometallics 26 (2007) 4639–; doi:10.1021/om7005062

data_4073643
_publ_section_title
;
 Synthesis of New Polydentate Nitrogen Ligands and Their Use in Ethylene
 Polymerization in Conjunction with Iron(II) and Cobalt(II) Bis-halides
 and Methylaluminoxane
;
_journal_issue                   18
_journal_name_full               Organometallics
_journal_page_first              4639
_journal_paper_doi               10.1021/om7005062
_journal_volume                  26
_journal_year                    2007
_chemical_formula_sum            'C51 H63 Cl2 Co N5'
_chemical_formula_weight         875.89
_space_group_IT_number           2
_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_date             2005-08-03T17:44:50-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                89.473(6)
_cell_angle_beta                 87.860(7)
_cell_angle_gamma                78.520(7)
_cell_formula_units_Z            2
_cell_length_a                   9.8615(9)
_cell_length_b                   10.8452(8)
_cell_length_c                   25.9804(19)
_cell_measurement_temperature    203(2)
_cell_volume                     2721.1(4)
_computing_cell_refinement       'Oxford Diffraction software'
_computing_data_collection       'Oxford Diffraction software'
_computing_data_reduction        'Oxford Diffraction software'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      203(2)
_diffrn_measured_fraction_theta_full 0.924
_diffrn_measured_fraction_theta_max 0.924
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.097
_diffrn_reflns_av_unetI/netI     0.1726
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            15510
_diffrn_reflns_theta_full        25.25
_diffrn_reflns_theta_max         25.25
_diffrn_reflns_theta_min         3.98
_exptl_absorpt_coefficient_mu    0.448
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1986)'
_exptl_crystal_density_diffrn    1.069
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             930
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.437
_refine_diff_density_min         -0.486
_refine_diff_density_rms         0.072
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.967
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     532
_refine_ls_number_reflns         9088
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.967
_refine_ls_R_factor_all          0.1703
_refine_ls_R_factor_gt           0.0905
_refine_ls_shift/su_max          0
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0908P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.187
_refine_ls_wR_factor_ref         0.2253
_reflns_number_gt                4519
_reflns_number_total             9088
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om7005062-file003.cif
_cod_data_source_block           annatest
_cod_database_code               4073643