A New Redox-Active Coordination Polymer with Cobalticinium Dicarboxylate
Mitsuru Kondo; Yuri Hayakawa; Makoto Miyazawa; Aiko Oyama; Kei Unoura; Hiroyuki Kawaguchi; Tetsuyoshi Naito; Kenji Maeda; Fumio Uchida; Inorganic Chemistry 43 (2004) 5801–5803; doi:10.1021/ic049273b

data_4311595
_publ_contact_author_address
;
Department of Chemistry, Faculty of Science, Shizuoka University,
836 Ohya, Shizuoka-city, Shizuoka 422-8529, Japan
;
_publ_contact_author_email       scmkond@ipc.shizuoka.ac.jp
_publ_contact_author_fax         +81-54-237-3384
_publ_contact_author_name        'Mitsuru kondo'
_publ_contact_author_phone       +81-54-238-4763
_publ_section_title
;
 A New Redox-Active Coordination Polymer with Cobalticinium Dicarboxylate
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5801
_journal_page_last               5803
_journal_paper_doi               10.1021/ic049273b
_journal_volume                  43
_journal_year                    2004
_chemical_formula_sum            'C26 H24 Co2 Cu O10'
_chemical_formula_weight         677.88
_space_group_IT_number           78
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      78
_symmetry_space_group_name_Hall  'P 4cw'
_symmetry_space_group_name_H-M   'P 43'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.550(5)
_cell_length_b                   10.550(5)
_cell_length_c                   23.15(1)
_cell_measurement_temperature    293.2
_cell_measurement_theta_max      14.6
_cell_measurement_theta_min      1.1
_cell_volume                     2577(2)
_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 14.71
_diffrn_measured_fraction_theta_full 0.9868
_diffrn_measured_fraction_theta_max 0.9868
_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  0.047
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            17627
_diffrn_reflns_theta_full        29.12
_diffrn_reflns_theta_max         29.12
_exptl_absorpt_coefficient_mu    2.149
_exptl_absorpt_correction_T_max  0.651
_exptl_absorpt_correction_T_min  0.498
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.747
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       cubic
_exptl_crystal_size_max          0.150
_exptl_crystal_size_mid          0.120
_exptl_crystal_size_min          0.120
_refine_diff_density_max         1.05
_refine_diff_density_min         -0.52
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.02(4)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     332
_refine_ls_number_reflns         3057
_refine_ls_R_factor_gt           0.0584
_refine_ls_shift/su_max          0.0007
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00063|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0603
_reflns_number_gt                3057
_reflns_number_total             3508
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ic049273bsi20040603_093951.cif
_cod_data_source_block           '_[Cu(cccdc)2].2MeOH'
_cod_original_cell_volume        2576(2)
_cod_original_sg_symbol_H-M      'P 43 '
_cod_original_formula_sum        'C26 H24 Co2 Cu O10 '
_cod_database_code               4311595