Syntheses of the Terpyridine-Bipyridine Linked Binary Ligands and Structural and Redox Properties of Their Cobalt Complexes
Hiroki Kon; Toshi Nagata; Inorganic Chemistry 48 (2009) 8593–8602; doi:10.1021/ic900932j

data_4303032
_publ_section_title
;
Syntheses of the Terpyridine-Bipyridine Linked Binary Ligands and
Structural and Redox Properties of Their Cobalt Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              8593
_journal_page_last               8602
_journal_paper_doi               10.1021/ic900932j
_journal_volume                  48
_journal_year                    2009
_chemical_formula_moiety         'C40 H40 Cl Co F6 N6 O6 P '
_chemical_formula_sum            'C40 H40 Cl Co F6 N6 O6 P'
_chemical_formula_weight         940.14
_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                90.0000
_cell_angle_beta                 95.662(13)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   18.270(14)
_cell_length_b                   8.975(7)
_cell_length_c                   24.559(19)
_cell_measurement_reflns_used    10850
_cell_measurement_temperature    293.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.1
_cell_volume                     4007(5)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.915
_diffrn_measured_fraction_theta_max 0.917
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.037
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            28332
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    0.619
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.558
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1932.00
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         3.45
_refine_diff_density_min         -2.25
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     581
_refine_ls_number_reflns         22158
_refine_ls_R_factor_gt           0.0647
_refine_ls_shift/su_max          0.0769
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0010Fo^2^ + 6.0000\s(Fo^2^) + 0.5000]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1505
_reflns_number_gt                22069
_reflns_number_total             8426
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ic900932j_si_002_2.cif
_cod_data_source_block           '__kon20080924'
_cod_original_formula_sum        'C40 H40 Cl Co F6 N6 O6 P '
_cod_database_code               4303032