Dichloro(4,4'-dinonyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')platinum(II)
Kato, Masako; Ikemori, Mana; Acta Crystallographica Section C 59 (2003) m25–m26; doi:10.1107/S010827010202156X

data_2013192
_publ_section_title
;
 Dichloro(4,4'-dinonyl-2,2'-bipyridine-\k^2^<i>N</i>,<i>N</i>')platinum(II)
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m25
_journal_page_last               m26
_journal_paper_doi               10.1107/S010827010202156X
_journal_volume                  59
_journal_year                    2003
_chemical_formula_iupac          '[Pt Cl2 (C28 H44 N2)]'
_chemical_formula_moiety         'C28 H44 Cl2 N2 Pt'
_chemical_formula_sum            'C28 H44 Cl2 N2 Pt'
_chemical_formula_weight         674.66
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 113.725(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   16.663(2)
_cell_length_b                   10.6209(5)
_cell_length_c                   17.652(2)
_cell_measurement_reflns_used    8757
_cell_measurement_temperature    173.2
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     2860.0(5)
_computing_cell_refinement       CrystalClear
_computing_data_collection
'CrystalClear (Molecular Structure Corporation & Rigaku Corporation, 2001)'
_computing_data_reduction
'TEXSAN (Molecular Structure Corporation & Rigaku Corporation, 2000)'
_computing_molecular_graphics    'ORTEPII (Johnson, 1976)'
_computing_publication_material  TEXSAN
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR92 (Altomare, 1994)'
_diffrn_measured_fraction_theta_full 1.0
_diffrn_measured_fraction_theta_max 1.0
_diffrn_measurement_device_type  'Rigaku/MSC Mercury CCD area-detector'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.041
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            22444
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_diffrn_reflns_theta_min         3.02
_exptl_absorpt_coefficient_mu    5.091
_exptl_absorpt_correction_T_max  0.695
_exptl_absorpt_correction_T_min  0.126
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   '(NUMABS; Higashi, 1999)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.567
_exptl_crystal_density_meas      1.520(10)
_exptl_crystal_density_method    'flotation in hexane/CCl~4~ at 294 K'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1352.00
_exptl_crystal_size_max          0.64
_exptl_crystal_size_mid          0.47
_exptl_crystal_size_min          0.11
_refine_diff_density_max         3.39
_refine_diff_density_min         -0.95
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.150
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     319
_refine_ls_number_reflns         6472
_refine_ls_R_factor_gt           0.040
_refine_ls_shift/su_max          -0.009
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.0220P)^2^+9.2477P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.084
_reflns_number_gt                5860
_reflns_number_total             6472
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ob1092.cif
_cod_data_source_block           I
_cod_original_cell_volume        2860.0(4)
_cod_original_sg_symbol_H-M      'P 21/a'
_cod_database_code               2013192
_cod_database_fobs_code          2013192