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_2015320
_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 (C24 H36 N2)]'
_chemical_formula_moiety         'C24 H36 Cl2 N2 Pt'
_chemical_formula_sum            'C24 H36 Cl2 N2 Pt'
_chemical_formula_weight         618.56
_chemical_melting_point          .421E-305
_chemical_name_systematic
;
dichloro(4,4'-diheptyl-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                 112.570(3)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   15.102(8)
_cell_length_b                   10.781(6)
_cell_length_c                   16.525(10)
_cell_measurement_reflns_used    7972
_cell_measurement_temperature    173.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.1
_cell_volume                     2484(2)
_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 7.31
_diffrn_measured_fraction_theta_full 0.971
_diffrn_measured_fraction_theta_max 0.971
_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  0.027
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            18483
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    5.853
_exptl_absorpt_correction_T_max  0.363
_exptl_absorpt_correction_T_min  0.182
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   '(NUMABS; Higashi, 1999)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.654
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1224.00
_exptl_crystal_size_max          0.37
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.17
_refine_diff_density_max         3.87
_refine_diff_density_min         -1.83
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.122
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     263
_refine_ls_number_reflns         5522
_refine_ls_R_factor_gt           0.0409
_refine_ls_shift/su_max          0.0010
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0723P)^2^+0.9111P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1151
_reflns_number_gt                4970
_reflns_number_total             5522
_reflns_threshold_expression     F^2^>2\s(F^2^)
_cod_data_source_file            ob1249.cif
_cod_data_source_block           II
_cod_database_code               2015320
_cod_database_fobs_code          2015320