Dichloro(4,4'-dialkyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')platinum(II), where alkyl is pentyl and heptyl
Kato, Masako; Okada, Yoshiko; Shishido, Yasuko; Kishi, Shinobu; Acta Crystallographica Section C 62 (2006) m171–m173; doi:10.1107/S010827010600758X

data_2015319
_publ_section_title
;
 Dichloro(4,4'-dialkyl-2,2'-bipyridine-\k^2^<i>N</i>,<i>N</i>')platinum(II),
 where alkyl is pentyl and heptyl
;
_journal_coeditor_code           OB1249
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m171
_journal_page_last               m173
_journal_paper_doi               10.1107/S010827010600758X
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac          '[Pt Cl2 (C20 H28 N2)]'
_chemical_formula_moiety         'C20 H28 Cl2 N2 Pt'
_chemical_formula_sum            'C20 H28 Cl2 N2 Pt'
_chemical_formula_weight         562.45
_chemical_melting_point          .483E-305
_chemical_name_systematic
;
Dichloro(4,4'-dipentyl-2,2'-bipyridine-\k^2^N,N')platinum(II)
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.0000
_cell_angle_beta                 94.3564(9)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   7.1791(19)
_cell_length_b                   13.853(4)
_cell_length_c                   20.609(5)
_cell_measurement_reflns_used    6090
_cell_measurement_temperature    173.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.1
_cell_volume                     2043.7(9)
_computing_cell_refinement       CrystalClear
_computing_data_collection       'CrystalClear (Rigaku, 2001)'
_computing_data_reduction        'CrystalStructure (Rigaku/MSC, 2004)'
_computing_molecular_graphics    'ORTEPII (Johnson, 1976)'
_computing_publication_material  CrystalStructure
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR92 (Altomare <i>et al.</i>,  1994)'
_diffrn_detector_area_resol_mean 14.71
_diffrn_measured_fraction_theta_full 0.968
_diffrn_measured_fraction_theta_max 0.968
_diffrn_measurement_device_type  'Rigaku Mercury CCD area-detector'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.098
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            15324
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    7.105
_exptl_absorpt_correction_T_max  0.868
_exptl_absorpt_correction_T_min  0.578
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   '(NUMABS; Higashi, 1999)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.828
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             1096.00
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         2.30
_refine_diff_density_min         -3.54
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.970
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     227
_refine_ls_number_reflns         4537
_refine_ls_R_factor_gt           0.0667
_refine_ls_shift/su_max          0.0010
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0864P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1801
_reflns_number_gt                3263
_reflns_number_total             4537
_reflns_threshold_expression     F^2^>2\s(F^2^)
_cod_data_source_file            ob1249.cif
_cod_data_source_block           I
_cod_original_cell_volume        2043.6(9)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2015319
_cod_database_fobs_code          2015319