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_4303031
_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         'C39 H37 Co F12 N6 O6 P2 '
_chemical_formula_sum            'C39 H37 Co F12 N6 O6 P2'
_chemical_formula_weight         1034.62
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                111.920(5)
_cell_angle_beta                 90.574(4)
_cell_angle_gamma                108.828(2)
_cell_formula_units_Z            2
_cell_length_a                   12.100(5)
_cell_length_b                   13.696(6)
_cell_length_c                   14.426(6)
_cell_measurement_reflns_used    6650
_cell_measurement_temperature    293.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.1
_cell_volume                     2075.9(15)
_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 0.935
_diffrn_measured_fraction_theta_max 0.937
_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  0.018
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -18
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_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    0.600
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.655
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1052.00
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         3.53
_refine_diff_density_min         -1.13
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.199
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     628
_refine_ls_number_reflns         14219
_refine_ls_R_factor_gt           0.0580
_refine_ls_shift/su_max          0.0183
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0010Fo^2^ + 8.0000\s(Fo^2^) + 0.5000]/(4Fo^2^)'
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_cod_data_source_block           '__kon20081015-2'
_cod_original_cell_volume        2075.8(15)
_cod_original_formula_sum        'C39 H37 Co F12 N6 O6 P2 '
_cod_database_code               4303031