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_4323773
_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            'C42 H38 F12 N6 O2 P2 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 09:20:12 1995'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                105.22(1)
_cell_angle_beta                 112.17(1)
_cell_angle_gamma                85.02(1)
_cell_formula_units_Z            1.00
_cell_length_a                   10.795(2)
_cell_length_b                   13.511(2)
_cell_length_c                   8.281(1)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    26.0
_cell_measurement_theta_max      25.63
_cell_measurement_theta_min      20.02
_cell_volume                     1079.2(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    SHELXS86
_diffrn_ambient_temperature      26.0
_diffrn_measurement_device       AFC5R
_diffrn_measurement_method       'omega/2-theta scans'
_diffrn_orient_matrix_UB_11      0.04003
_diffrn_orient_matrix_UB_12      -0.02130
_diffrn_orient_matrix_UB_13      0.11582
_diffrn_orient_matrix_UB_21      0.02114
_diffrn_orient_matrix_UB_22      0.07340
_diffrn_orient_matrix_UB_23      0.06756
_diffrn_orient_matrix_UB_31      -0.08920
_diffrn_orient_matrix_UB_32      0.00664
_diffrn_orient_matrix_UB_33      0.01230
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Rigaku rotating anode'
_diffrn_radiation_type           MoKalpha
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  3.59
_diffrn_reflns_limit_h_max       0
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       1
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       4
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            5241
_diffrn_reflns_theta_max         27.5582
_diffrn_standards_decay_%        -1.76
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu_cm 34.088
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.746
_exptl_absorpt_correction_type   psi-scan
_exptl_crystal_colour            corless
_exptl_crystal_density_diffrn    1.760
_exptl_crystal_density_meas      1.75
_exptl_crystal_description       plate
_exptl_crystal_F_000             564.00
_exptl_crystal_size_max          0.220
_exptl_crystal_size_mid          0.160
_exptl_crystal_size_min          0.040
_refine_diff_density_max         -0.27600
_refine_diff_density_min         0.45040
_refine_ls_extinction_coef       0.00000
_refine_ls_extinction_method     Zachariasen_type_2_Gaussian_isotropic
_refine_ls_goodness_of_fit_obs   1.120
_refine_ls_matrix_type           full
_refine_ls_number_parameters     358
_refine_ls_number_reflns         3606
_refine_ls_number_restraints     0
_refine_ls_R_factor_obs          0.0380
_refine_ls_shift/esd_max         0.0290
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_obs         0.0420
_cod_data_source_file            ic9507124_3.cif
_cod_data_source_block           '[Pt(i-biq)2](PF6)2.2DMF'
_cod_original_sg_symbol_H-M      'P -1 '
_cod_original_formula_sum        'Pt O2 N6 C42 H38 P2 F12'
_cod_database_code               4323773