Novel Cu(I) Dinuclear Complexes Containing μ2-η2,η2-Type Benzoquinone Ligand
Shigeyuki Masaoka; George Akiyama; Satoshi Horike; Susumu Kitagawa; Tomohiko Ida; Kazunaka Endo; Journal of the American Chemical Society 125 (2003) 1152–1153; doi:10.1021/ja029023z

data_4113435
_publ_contact_author_email       kitagawa@sbchem.kyoto-u.ac.jp
_publ_contact_author_fax         +81-75-753-4979
_publ_contact_author_name        'Susumu Kitagawa'
_publ_contact_author_phone       +81-75-753-5652
_publ_section_title
;
 Novel Cu(I) Dinuclear Complexes Containing \m2-\h2,\h2-Type Benzoquinone
 Ligand
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              1152
_journal_page_last               1153
_journal_paper_doi               10.1021/ja029023z
_journal_volume                  125
_journal_year                    2003
_chemical_formula_moiety         'C5 H5 Cu O3 '
_chemical_formula_sum            'C5 H5 Cu O3'
_chemical_formula_weight         176.64
_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                 103.45(1)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   10.45(1)
_cell_length_b                   7.565(7)
_cell_length_c                   15.61(2)
_cell_measurement_reflns_used    1913
_cell_measurement_temperature    293.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     1200(2)
_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    SIR97
_diffrn_detector_area_resol_mean 14.62
_diffrn_measured_fraction_theta_full 0.9909
_diffrn_measured_fraction_theta_max 0.9909
_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  0.102
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            8509
_diffrn_reflns_theta_full        27.46
_diffrn_reflns_theta_max         27.46
_exptl_absorpt_coefficient_mu    3.559
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.955
_exptl_crystal_description       Plate
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.150
_refine_diff_density_max         1.15
_refine_diff_density_min         -0.96
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.658
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     163
_refine_ls_number_reflns         1528
_refine_ls_R_factor_gt           0.0793
_refine_ls_shift/su_max          0.0002
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00022|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0697
_reflns_number_gt                1528
_reflns_number_total             2728
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ja029023z-7_s2_1.cif
_cod_data_source_block           '_trial4'
_cod_original_cell_volume        1200(1)
_cod_original_formula_sum        'C5 H5 Cu O3 '
_cod_database_code               4113435