Group 10 Metal Complexes ofmeso-Aryl-Substituted [26]Hexaphyrins with a Metal−Carbon Bond
Mori, Shigeki; Shimizu, Soji; Taniguchi, Ryuichiro; Osuka, Atsuhiro; Inorganic Chemistry 44 (2005) 4127–4129; doi:10.1021/ic050447e

data_4331521
_publ_section_title
;
 Group 10 Metal Complexes ofmeso-Aryl-Substituted [26]Hexaphyrins with a
 Metal&#x2212;Carbon Bond
;
_journal_issue                   12
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4127
_journal_page_last               4129
_journal_paper_doi               10.1021/ic050447e
_journal_volume                  44
_journal_year                    2005
_chemical_formula_moiety         'C73 H30 F30 N6 Ni '
_chemical_formula_sum            'C73 H30 F30 N6 Ni'
_chemical_formula_weight         1619.73
_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                 102.352(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.063(2)
_cell_length_b                   15.694(2)
_cell_length_c                   28.468(4)
_cell_measurement_reflns_used    NONE
_cell_measurement_temperature    296.1
_cell_volume                     6574.0(15)
_computing_cell_refinement       Unknown
_computing_data_collection       Unknown
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.6.0'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR97
_diffrn_measured_fraction_theta_full 0.9159
_diffrn_measured_fraction_theta_max 0.9159
_diffrn_measurement_device_type  CCD
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.055
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_number            38302
_diffrn_reflns_theta_full        28.16
_diffrn_reflns_theta_max         28.16
_exptl_absorpt_coefficient_mu    0.431
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            violet
_exptl_crystal_density_diffrn    1.636
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             3232.00
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.89
_refine_diff_density_min         -1.33
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.443
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     1021
_refine_ls_number_reflns         20617
_refine_ls_R_factor_gt           0.0560
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/\s^2^(Fo)'
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_ref         0.0700
_reflns_number_gt                20617
_reflns_number_total             37427
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ic050447esup1.cif
_cod_data_source_block           '_F5-6-Ni'
_cod_original_cell_volume        6573.7(16)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C73 H30 F30 N6 Ni '
_cod_database_code               4331521