A New One-Dimensional Platinum System Consisting of Carboxylate-Bridged cis-Diammineplatinum Dimers1
Ken Sakai; Masao Takeshita; Yuko Tanaka; Takuma Ue; Masayuki Yanagisawa; Masaya Kosaka; Taro Tsubomura; Masamichi Ato; Takeo Nakano; Journal of the American Chemical Society 120 (1998) 11353–11363; doi:10.1021/ja980055p

data_4116866
_publ_contact_author
;
    Dr Ken Sakai
    Department of Industrial Chemistry
    Seikei University
    Kichijoji-Kitamachi
    Musashino, Tokyo 180
    Japan
;
_publ_contact_author_email       ksakai@.ch.seikei.ac.jp
_publ_contact_author_fax         '+81 422 37 3871'
_publ_contact_author_phone       '+81 422 37 3759'
_publ_section_title
;
 A New One-Dimensional Platinum System Consisting of Carboxylate-Bridged
 cis-Diammineplatinum Dimers1
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              11353
_journal_page_last               11363
_journal_paper_doi               10.1021/ja980055p
_journal_volume                  120
_journal_year                    1998
_chemical_formula_moiety         'C2 H16 N4 O3 Pt2, Si F6'
_chemical_formula_sum            'C2 H16 F6 N4 O3 Pt2 Si'
_chemical_formula_weight         676.43
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_audit_creation_date             97-05-15
_audit_creation_method           'teXsan (modified by Ken Sakai)'
_audit_update_record
;
97-05-15    text and data added by Ken Sakai
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.819(2)
_cell_length_b                   10.487(2)
_cell_length_c                   9.253(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296.0
_cell_measurement_theta_max      34.66
_cell_measurement_theta_min      31.30
_cell_volume                     1243.9(4)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        'teXsan: PROCESS (MSC)'
_computing_publication_material  'teXsan: FINISH (MSC)'
_computing_structure_refinement  'teXsan: LS (MSC)'
_computing_structure_solution    SAPI91
_diffrn_ambient_temperature      296.0
_diffrn_measurement_device       'Rigaku AFC5S'
_diffrn_measurement_method       \q/2\q
_diffrn_orient_matrix_UB_11      -0.06215
_diffrn_orient_matrix_UB_12      0.00531
_diffrn_orient_matrix_UB_13      0.06505
_diffrn_orient_matrix_UB_21      -0.04671
_diffrn_orient_matrix_UB_22      0.00594
_diffrn_orient_matrix_UB_23      -0.08629
_diffrn_orient_matrix_UB_31      -0.00640
_diffrn_orient_matrix_UB_32      -0.09502
_diffrn_orient_matrix_UB_33      -0.00176
_diffrn_radiation_detector       'scintillation,NaI,Rigaku SC-30'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0909
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       0
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            2089
_diffrn_reflns_theta_max         30.00
_diffrn_reflns_theta_min         1.59
_diffrn_standards_decay_%        0.07
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    22.647
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.2140
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   'psi-scans (North's method)'
_exptl_crystal_colour            'greenish-yellow plate'
_exptl_crystal_density_diffrn    3.6119
_exptl_crystal_description       plate
_exptl_crystal_F_000             1216.00
_exptl_crystal_size_max          0.43
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.13
_refine_diff_density_max         4.76
_refine_diff_density_min         -6.88
_refine_ls_abs_structure_details
;
none
;
_refine_ls_extinction_coef       2.2(3)
_refine_ls_extinction_method     Zachariasen_type_2_gaussian_isotropic
_refine_ls_goodness_of_fit_obs   2.850
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     92
_refine_ls_number_reflns         1003
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1195
_refine_ls_R_factor_obs          0.0612
_refine_ls_shift/esd_max         0.0050
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma_w=1/\s^2^(F)+0.000169F^2^
_refine_ls_wR_factor_all         0.0585
_refine_ls_wR_factor_obs         0.0552
_reflns_number_observed          1003
_reflns_number_total             2089
_reflns_observed_criterion       I_>_2.0_sigma(I)
_cod_data_source_file            ja980055p_2.cif
_cod_data_source_block           complex6
_cod_original_formula_sum        'C2 F6 H16 N4 O3 Pt2 Si1'
_cod_database_code               4116866