Bis(8-quinolinolato-<i>N</i>,<i>O</i>)platinum(II) and its synthetic intermediate, 8-hydroxyquinolinium dichloro(8-quinolinolato-<i>N</i>,<i>O</i>)platinate(II) tetrahydrate
Kato, Masako; Ogawa, Yuki; Kozakai, Mikiko; Sugimoto, Yukihiro; Acta Crystallographica Section C 58 (2002) m147–m149; doi:10.1107/S0108270102000045

data_2012590
_publ_section_title
;
 Bis(8-quinolinolato-<i>N</i>,<i>O</i>)platinum(II) and its synthetic
 intermediate, 8-hydroxyquinolinium
 dichloro(8-quinolinolato-<i>N</i>,<i>O</i>)platinate(II) tetrahydrate
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m147
_journal_page_last               m149
_journal_paper_doi               10.1107/S0108270102000045
_journal_volume                  58
_journal_year                    2002
_chemical_formula_iupac          '[Pt (C9 H6 N O)2]'
_chemical_formula_moiety         'C18 H12 N2 O2 Pt'
_chemical_formula_sum            'C18 H12 N2 O2 Pt'
_chemical_formula_weight         483.39
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 106.430(10)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   11.349(2)
_cell_length_b                   4.704(2)
_cell_length_c                   13.7310(10)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    294.2
_cell_measurement_theta_max      15.0
_cell_measurement_theta_min      14.6
_cell_volume                     703.1(3)
_computing_cell_refinement       'Rigaku/AFC Diffractometer Control Software'
_computing_data_collection
'Rigaku/AFC Diffractometer Control Software (Rigaku, 1995)'
_computing_data_reduction
'TEXSAN (Molecular Structure Corporation, 2000)'
_computing_molecular_graphics    'ORTEPII (Johnson, 1976)'
_computing_publication_material  TEXSAN
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR92 (Altomare et al., 1994)'
_diffrn_measured_fraction_theta_full 1.0
_diffrn_measured_fraction_theta_max 1.0
_diffrn_measurement_device_type  'Rigaku AFC-7R'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     .7107
_diffrn_reflns_av_R_equivalents  .015
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       -6
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            1685
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_diffrn_reflns_theta_min         2.06
_diffrn_standards_decay_%        1.65
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    9.951
_exptl_absorpt_correction_T_max  .822
_exptl_absorpt_correction_T_min  .397
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   '(de Meulenaer & Tompa, 1965)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    2.283
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             456.00
_exptl_crystal_size_max          .21
_exptl_crystal_size_mid          .10
_exptl_crystal_size_min          .02
_refine_diff_density_max         .83
_refine_diff_density_min         -.43
_refine_ls_extinction_coef       .0006
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL97 (Sheldrick, 1997)'
_refine_ls_goodness_of_fit_ref   .971
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     107
_refine_ls_number_reflns         1607
_refine_ls_R_factor_gt           .018
_refine_ls_shift/su_max          .005
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.0181P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         .045
_reflns_number_gt                1053
_reflns_number_total             1607
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            oa1121.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_cell_volume        703.0(3)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2012590
_cod_database_fobs_code          2012590