Formation of a Ligand-based Mixed-valence Cluster Triggered by Dehydration Condensation of Semiquinonates with o-Phenylenediamines
Ho-Chol Chang; Nao Nishida; Susumu Kitagawa; Chemistry Letters 34 (2005) 402–; doi:10.1246/cl.2005.402

data_8000007
_publ_section_title
;
 Formation of a Ligand-based Mixed-valence Cluster Triggered by
 Dehydration Condensation of Semiquinonates with o-Phenylenediamines
;
_journal_issue                   3
_journal_name_full               'Chemistry Letters'
_journal_page_first              402
_journal_paper_doi               10.1246/cl.2005.402
_journal_volume                  34
_journal_year                    2005
_chemical_formula_sum            'C114 H88 Co5 O19'
_chemical_formula_weight         2056.60
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   23.109(1)
_cell_length_b                   26.160(1)
_cell_length_c                   36.850(1)
_cell_measurement_reflns_used    25862
_cell_measurement_temperature    223.2
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     22276(1)
_computing_cell_refinement       CRYSTALCLEAR
_computing_data_collection       CRYSTALCLEAR
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    'DIRDIF94 (PATTY)'
_diffrn_detector_area_resol_mean 14.62
_diffrn_measured_fraction_theta_full 0.9624
_diffrn_measured_fraction_theta_max 0.9624
_diffrn_measurement_device_type  'Rigaku/MSC Mercury CCD'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.048
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_l_max       45
_diffrn_reflns_limit_l_min       -42
_diffrn_reflns_number            112460
_diffrn_reflns_theta_full        27.4835
_diffrn_reflns_theta_max         27.4835
_exptl_absorpt_coefficient_mu    0.791
_exptl_absorpt_correction_T_max  0.939
_exptl_absorpt_correction_T_min  0.644
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Jacobson, 1998)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.226
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
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_exptl_crystal_size_max          0.700
_exptl_crystal_size_mid          0.220
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_refine_diff_density_max         1.39
_refine_diff_density_min         -0.67
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   2.080
_refine_ls_hydrogen_treatment    none
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_refine_ls_number_reflns         9632
_refine_ls_R_factor_gt           0.1040
_refine_ls_shift/su_max          0.0013
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.09000(Max(Fo^2^,0) + 2Fc^2^)/3)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.2654
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_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_original_formula_sum        'C114 H88 Co5 O19 '
_cod_database_code               8000007