Crystal Structures and Luminescence Properties of Platinum(II) Complexes Containing 3,3'-Biisoquinoline
Masako Kato; Kumiko Sasano; Chizuko Kosuge; Mikio Yamazaki; Shigenobu Yano; Masaru Kimura; Inorganic Chemistry 35 (1996) 116–123; doi:10.1021/ic9507124

data_4323772
_publ_contact_author
;
    Dr Masako Kato
    Department of Chemistry
    Faculty of Science
    Nara Women's University
    Nara 630
    Japan
;
_publ_contact_author_email       kato@cc.nara-wu.ac.jp
_publ_contact_author_fax         81-742-20-3393
_publ_contact_author_phone       81-742-20-3393
_publ_section_title
;
 Crystal Structures and Luminescence Properties of Platinum(II) Complexes
 Containing 3,3'-Biisoquinoline
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              116
_journal_page_last               123
_journal_paper_doi               10.1021/ic9507124
_journal_volume                  35
_journal_year                    1996
_chemical_formula_sum            'C21 H21 Cl2 N3 O2 Pt'
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_date             'Thu May 25 09:18:02 1995'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                106.56(1)
_cell_angle_beta                 100.15(1)
_cell_angle_gamma                76.146(10)
_cell_formula_units_Z            2.00
_cell_length_a                   11.047(1)
_cell_length_b                   12.397(2)
_cell_length_c                   8.000(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    20.0
_cell_measurement_theta_max      29.98
_cell_measurement_theta_min      29.63
_cell_volume                     1012.7(3)
_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      20.0
_diffrn_measurement_device       AFC7R
_diffrn_measurement_method       'omega/2-theta scans'
_diffrn_orient_matrix_UB_11      -0.07005
_diffrn_orient_matrix_UB_12      0.06330
_diffrn_orient_matrix_UB_13      0.04710
_diffrn_orient_matrix_UB_21      0.05820
_diffrn_orient_matrix_UB_22      0.05531
_diffrn_orient_matrix_UB_23      0.03540
_diffrn_orient_matrix_UB_31      -0.02275
_diffrn_orient_matrix_UB_32      0.01768
_diffrn_orient_matrix_UB_33      -0.11732
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           MoKalpha
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.95
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       0
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            5004
_diffrn_reflns_theta_max         27.4981
_diffrn_standards_decay_%        -0.04
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu_cm 71.870
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.746
_exptl_absorpt_correction_type   psi-scan
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.011
_exptl_crystal_density_meas      2.01
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             592.00
_exptl_crystal_size_max          0.220
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.140
_refine_diff_density_max         -3.77050
_refine_diff_density_min         2.50390
_refine_ls_extinction_coef       14.76160
_refine_ls_extinction_method     Zachariasen_type_2_Gaussian_isotropic
_refine_ls_goodness_of_fit_obs   6.500
_refine_ls_matrix_type           full
_refine_ls_number_parameters     253
_refine_ls_number_reflns         4214
_refine_ls_number_restraints     0
_refine_ls_R_factor_obs          0.0520
_refine_ls_shift/esd_max         0.5220
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_obs         0.0620
_cod_data_source_file            ic9507124_2.cif
_cod_data_source_block           '[PtCl2(i-biq)].DMF.H2O'
_cod_original_cell_volume        1012.8(3)
_cod_original_sg_symbol_H-M      'P -1 '
_cod_original_formula_sum        'Pt Cl2 O2 N3 C21 H21'
_cod_database_code               4323772