Syntheses and Electronic Structures of One-Electron-Oxidized Group 10 Metal(II)-(Disalicylidene)diamine Complexes (Metal = Ni, Pd, Pt)
Yuichi Shimazaki; Tatsuo Yajima; Fumito Tani; Satoru Karasawa; Koichi Fukui; Yoshinori Naruta; Osamu Yamauchi; Journal of the American Chemical Society 129 (2007) 2559–2568; doi:10.1021/ja067022r

data_4109137
_publ_section_title
;
 Syntheses and Electronic Structures of One-Electron-Oxidized Group 10
 Metal(II)-(Disalicylidene)diamine Complexes (Metal = Ni, Pd, Pt)
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              2559
_journal_page_last               2568
_journal_paper_doi               10.1021/ja067022r
_journal_volume                  129
_journal_year                    2007
_chemical_formula_moiety         'C32 H46 N2 O2 Pd '
_chemical_formula_sum            'C32 H46 N2 O2 Pd'
_chemical_formula_weight         597.13
_space_group_IT_number           60
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      60
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   26.674(8)
_cell_length_b                   10.956(4)
_cell_length_c                   10.273(4)
_cell_measurement_reflns_used    19981
_cell_measurement_temperature    133.2
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     3002.2(18)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.9511
_diffrn_measured_fraction_theta_max 0.9511
_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  0.095
_diffrn_reflns_limit_h_max       34
_diffrn_reflns_limit_h_min       -34
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            23236
_diffrn_reflns_theta_full        27.45
_diffrn_reflns_theta_max         27.45
_exptl_absorpt_coefficient_mu    0.648
_exptl_absorpt_correction_T_max  0.968
_exptl_absorpt_correction_T_min  0.871
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.321
_exptl_crystal_description       needle
_exptl_crystal_size_max          0.210
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.050
_refine_diff_density_max         1.47
_refine_diff_density_min         -1.73
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.326
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     168
_refine_ls_number_reflns         3271
_refine_ls_R_factor_gt           0.0609
_refine_ls_shift/su_max          0.0073
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.05000(Max(Fo^2^,0) + 2Fc^2^)/3)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1550
_reflns_number_gt                2478
_reflns_number_total             3271
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ja067022rsi20060930_040142.cif
_cod_data_source_block           SHIMAZAKI
_cod_original_cell_volume        3002(1)
_cod_original_formula_sum        'C32 H46 N2 O2 Pd '
_cod_database_code               4109137