New Structural Aspects of α-Pyrrolidinonate- and α-Pyridonate-Bridged, Homo- and Mixed-Valence, Di- and Tetranuclear cis-Diammineplatinum Complexes: Eight New Crystal Structures, Stoichiometric 1:1 Mixture of Pt(2.25+)4 and Pt(2.5+)4, New Quasi-One-Dimensional Halide-Bridged [Pt(2.5+)4-Cl...]∞System, and Consideration of Solution Properties
Ken Sakai; Yuko Tanaka; Yuriko Tsuchiya; Kentaro Hirata; Taro Tsubomura; Seiichiro Iijima; Ashis Bhattacharjee; Journal of the American Chemical Society 120 (1998) 8366–8379; doi:10.1021/ja980019q

data_4116815
_publ_contact_author
;
    Dr Ken Sakai
    Department of Industrial Chemistry
    Faculty of Engineering
    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
;
 New Structural Aspects of \a-Pyrrolidinonate- and \a-Pyridonate-Bridged,
 Homo- and Mixed-Valence, Di- and Tetranuclear cis-Diammineplatinum
 Complexes: Eight New Crystal Structures, Stoichiometric 1:1 Mixture of
 Pt(2.25+)4 and Pt(2.5+)4, New Quasi-One-Dimensional Halide-Bridged
 [Pt(2.5+)4-Cl...]\\infty System, and Consideration of Solution Properties
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              8366
_journal_page_last               8379
_journal_paper_doi               10.1021/ja980019q
_journal_volume                  120
_journal_year                    1998
_chemical_formula_moiety         'C8 Cl1 H24 N7 O5 Pt2, (N O3)2, H2 O'
_chemical_formula_sum            'C8 H26 Cl N9 O12 Pt2'
_chemical_formula_weight         865.98
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_audit_creation_date             1997-10-28
_audit_creation_method           'teXsan (modified by Ken Sakai)'
_audit_update_record
;
1997-10-28    text and data added by Ken Sakai
;
_cell_angle_alpha                90
_cell_angle_beta                 110.87(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4.00
_cell_length_a                   9.521(3)
_cell_length_b                   24.608(7)
_cell_length_c                   10.137(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296.0
_cell_measurement_theta_max      29.57
_cell_measurement_theta_min      25.82
_cell_volume                     2219.2(11)
_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    SIR88
_diffrn_ambient_temperature      296.0
_diffrn_measurement_device       'Rigaku AFC5S'
_diffrn_measurement_method       \q/2\q
_diffrn_orient_matrix_UB_11      0.05576
_diffrn_orient_matrix_UB_12      -0.02281
_diffrn_orient_matrix_UB_13      0.08400
_diffrn_orient_matrix_UB_21      0.03715
_diffrn_orient_matrix_UB_22      -0.02371
_diffrn_orient_matrix_UB_23      -0.06076
_diffrn_orient_matrix_UB_31      0.09025
_diffrn_orient_matrix_UB_32      0.02385
_diffrn_orient_matrix_UB_33      0.01996
_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  0.0328
_diffrn_reflns_av_sigmaI/netI    0.0885
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            5538
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         2.25
_diffrn_standards_decay_%        -1.12
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    12.789
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.5784
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   'psi-scan (North's method)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    2.5919
_exptl_crystal_description       prism
_exptl_crystal_F_000             1624.00
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         2.79
_refine_diff_density_min         -2.16
_refine_ls_abs_structure_details
;
none
;
_refine_ls_extinction_coef       0.16(7)
_refine_ls_extinction_method     Zachariasen_type_2_gaussian_isotropic
_refine_ls_goodness_of_fit_obs   1.720
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     259
_refine_ls_number_reflns         3661
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0885
_refine_ls_R_factor_obs          0.0525
_refine_ls_shift/esd_max         0.0290
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma_w=1/\s^2^(F)+0.000100F^2^
_refine_ls_wR_factor_all         0.0442
_refine_ls_wR_factor_obs         0.0411
_reflns_number_observed          3661
_reflns_number_total             5237
_reflns_observed_criterion       I_>_2.0_sigma(I)
_cod_data_source_file            ja980019q_7.cif
_cod_data_source_block           complex12
_cod_original_cell_volume        2219(1)
_cod_original_formula_sum        'C8 Cl1 H26 N9 O12 Pt2'
_cod_database_code               4116815