<i>cis</i>-Dichloridobis(quinoline-κ<i>N</i>)platinum(II) nitromethane monosolvate
Ha, Kwang; Acta Crystallographica Section E 68 (2012) m491–; doi:10.1107/S1600536812012469

data_2234469
_publ_section_title
;
 <i>cis</i>-Dichloridobis(quinoline-\k<i>N</i>)platinum(II) nitromethane
 monosolvate
;
_journal_coeditor_code           XU5489
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m491
_journal_paper_doi               10.1107/S1600536812012469
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac          '[Pt Cl2 (C9 H7 N)2], C H3 N O2'
_chemical_formula_moiety         'C18 H14 Cl2 N2 Pt, C H3 N O2'
_chemical_formula_sum            'C19 H17 Cl2 N3 O2 Pt'
_chemical_formula_weight         585.35
_chemical_name_systematic
;
<i>cis</i>-Dichloridobis(quinoline-\k<i>N</i>)platinum(II) nitromethane
monosolvate
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                104.2440(10)
_cell_angle_beta                 101.9130(10)
_cell_angle_gamma                113.8340(10)
_cell_formula_units_Z            2
_cell_length_a                   9.6204(5)
_cell_length_b                   10.3698(5)
_cell_length_c                   11.6946(6)
_cell_measurement_reflns_used    4362
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      25.99
_cell_measurement_theta_min      2.40
_cell_volume                     970.87(9)
_computing_cell_refinement       'SAINT (Bruker, 2000)'
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        'SAINT (Bruker, 2000)'
_computing_molecular_graphics
'ORTEP-3 (Farrugia, 1997) and PLATON (Spek, 2009)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      200(2)
_diffrn_measured_fraction_theta_full 0.970
_diffrn_measured_fraction_theta_max 0.970
_diffrn_measurement_device_type  'Bruker SMART 1000 CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0211
_diffrn_reflns_av_sigmaI/netI    0.0391
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            6035
_diffrn_reflns_theta_full        25.99
_diffrn_reflns_theta_max         25.99
_diffrn_reflns_theta_min         1.91
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    7.521
_exptl_absorpt_correction_T_max  1.000000
_exptl_absorpt_correction_T_min  0.754134
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2000)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.002
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             560
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.13
_refine_diff_density_max         2.692
_refine_diff_density_min         -1.384
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.238
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     245
_refine_ls_number_reflns         3707
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.238
_refine_ls_R_factor_all          0.0388
_refine_ls_R_factor_gt           0.0299
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0000P)^2^+7.8267P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0605
_refine_ls_wR_factor_ref         0.0842
_reflns_number_gt                3342
_reflns_number_total             3707
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            xu5489.cif
_cod_data_source_block           I
_cod_original_cell_volume        970.87(8)
_cod_database_code               2234469
_cod_database_fobs_code          2234469