Formation, Characterization, and Reactivity of Bis(μ-oxo)dinickel(III) Complexes Supported by A Series of Bis[2-(2-pyridyl)ethyl]amine Ligands
Shinobu Itoh; Hideki Bandoh; Motonobu Nakagawa; Shigenori Nagatomo; Teizo Kitagawa; Kenneth D. Karlin; Shunichi Fukuzumi; Journal of the American Chemical Society 123 (2001) 11168–11178; doi:10.1021/ja0104094

data_4115774
_publ_section_title
;
 Formation, Characterization, and Reactivity of Bis(\m-oxo)dinickel(III)
 Complexes Supported by A Series of Bis[2-(2-pyridyl)ethyl]amine Ligands
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              11168
_journal_page_last               11178
_journal_paper_doi               10.1021/ja0104094
_journal_volume                  123
_journal_year                    2001
_chemical_formula_sum            'C44 H52 Cl2 N6 Ni2 O10'
_chemical_formula_weight         1013.24
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_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                 105.302(3)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.2036(8)
_cell_length_b                   16.656(1)
_cell_length_c                   13.363(1)
_cell_measurement_reflns_used    9872
_cell_measurement_temperature    85.2
_cell_measurement_theta_max      20.8
_cell_measurement_theta_min      2.0
_cell_volume                     2190.5(3)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        'teXsan Ver. 1.10'
_computing_publication_material  'teXsan Ver. 1.10'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    SIR92
_diffrn_measured_fraction_theta_full 0.9986
_diffrn_measured_fraction_theta_max 0.9986
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID Imaging Plate'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.081
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       0
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_diffrn_reflns_limit_l_min       -17
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_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    1.048
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.536
_exptl_crystal_description       block
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.000
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_refine_diff_density_min         -0.57
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.712
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     450
_refine_ls_number_reflns         3274
_refine_ls_R_factor_gt           0.0411
_refine_ls_shift/su_max          2.6733
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00250|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0580
_reflns_number_gt                3274
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_reflns_threshold_expression     F^2^>3.0\s(F^2^)
_cod_data_source_file            ja0104094_2.cif
_cod_data_source_block           taki2
_cod_original_cell_volume        2190.6(3)
_cod_original_formula_sum        'C44 H52 Cl2 N6 O10 Ni2 '
_cod_database_code               4115774