Electrical conducting bis(oxalato)platinate complex with direct connection of CuII ions.
Yamamoto, Chihiro; Nishikawa, Hiroyuki; Nihei, Masayuki; Shiga, Takuya; Hedo, Masato; Uwatoko, Yoshiya; Sawa, Hiroshi; Kitagawa, Hiroshi; Taguchi, Yasujiro; Iwasa, Yoshihiro; Oshio, Hiroki; Inorganic chemistry 45 (2006) 10270–10276; doi:10.1021/ic0607742

data_4350393
_publ_section_title
;
 Electrical conducting bis(oxalato)platinate complex with direct
 connection of CuII ions.
;
_journal_issue                   25
_journal_name_full               'Inorganic chemistry'
_journal_page_first              10270
_journal_page_last               10276
_journal_paper_doi               10.1021/ic0607742
_journal_volume                  45
_journal_year                    2006
_chemical_formula_sum            'C88 H67 Cu6 N12 O82 Pt7'
_chemical_formula_weight         4351.41
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                78.283(6)
_cell_angle_beta                 73.745(6)
_cell_angle_gamma                71.742(7)
_cell_formula_units_Z            2
_cell_length_a                   15.910(6)
_cell_length_b                   19.772(8)
_cell_length_c                   20.594(8)
_cell_measurement_temperature    293(2)
_cell_volume                     5859(4)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean '8.366 [pixels/mm]'
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1138
_diffrn_reflns_av_sigmaI/netI    0.0914
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            26782
_diffrn_reflns_theta_full        23.33
_diffrn_reflns_theta_max         23.33
_diffrn_reflns_theta_min         1.04
_exptl_absorpt_coefficient_mu    9.512
_exptl_absorpt_correction_type   numerical
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    2.467
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'pillar-shaped crystals'
_exptl_crystal_F_000             4110
_exptl_crystal_size_max          0.46
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.03
_refine_diff_density_max         2.338
_refine_diff_density_min         -2.318
_refine_diff_density_rms         0.244
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.949
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1775
_refine_ls_number_reflns         16806
_refine_ls_number_restraints     84
_refine_ls_restrained_S_all      0.947
_refine_ls_R_factor_all          0.0582
_refine_ls_R_factor_gt           0.0427
_refine_ls_shift/su_max          0.768
_refine_ls_shift/su_mean         0.007
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0392P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1004
_refine_ls_wR_factor_ref         0.1066
_reflns_number_gt                11994
_reflns_number_total             16806
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0607742si20060508_122950.cif
_cod_data_source_block           pt200kf
_cod_database_code               4350393