Crystal Structure of (2,2′-Bipyridine)(<i>N</i>-(1-naphthyl)methyl-1,3-propanediamine)platinum(II) Chloride
KIWADA, Tatsuto; HIRASAKI, Aika; ODANI, Akira; X-ray Structure Analysis Online 35 (2019) 35–; doi:10.2116/xraystruct.35.35

data_1551534
_publ_section_title
;
 Crystal Structure of
 (2,2&#x2032;-Bipyridine)(&lt;i&gt;N&lt;/i&gt;-(1-naphthyl)methyl-1,3-propanediamine)platinum(II)
 Chloride
;
_journal_issue                   0
_journal_name_full               'X-ray Structure Analysis Online'
_journal_page_first              35
_journal_paper_doi               10.2116/xraystruct.35.35
_journal_volume                  35
_journal_year                    2019
_chemical_formula_sum            'C24 H26 Cl2 N4 Pt'
_chemical_formula_weight         636.48
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_cell_angle_alpha                90
_cell_angle_beta                 109.032(8)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   23.3026(14)
_cell_length_b                   17.4118(12)
_cell_length_c                   12.3816(7)
_cell_measurement_reflns_used    18937
_cell_measurement_temperature    93(2)
_cell_measurement_theta_max      27.47
_cell_measurement_theta_min      1.74
_cell_volume                     4749.1(6)
_computing_cell_refinement       'RAPID AUTO (Rigaku)'
_computing_data_collection       'RAPID AUTO (Rigaku)'
_computing_data_reduction        'RAPID AUTO (Rigaku)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 2012)'
_computing_publication_material  'WinGX publication routines (Farrugia, 2012'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_diffrn_ambient_temperature      93(2)
_diffrn_detector_area_resol_mean 10
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Rigaku CCD Diffractometer'
_diffrn_measurement_method       'phi or omega oscillation scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0407
_diffrn_reflns_av_unetI/netI     0.0310
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            22044
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.467
_diffrn_reflns_theta_min         2.050
_diffrn_source                   'sealed x-ray tube'
_exptl_absorpt_coefficient_mu    6.153
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.780
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             2480
_exptl_crystal_size_max          0.450
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.200
_exptl_transmission_factor_max   1.0000
_exptl_transmission_factor_min   0.3567
_refine_diff_density_max         0.937
_refine_diff_density_min         -0.734
_refine_diff_density_rms         0.097
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     299
_refine_ls_number_reflns         5435
_refine_ls_number_restraints     4
_refine_ls_restrained_S_all      1.035
_refine_ls_R_factor_all          0.0335
_refine_ls_R_factor_gt           0.0242
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0222P)^2^+4.7442P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0466
_refine_ls_wR_factor_ref         0.0490
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4657
_reflns_number_total             5435
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            35_35_1.txt
_cod_data_source_block           shelx
_cod_database_code               1551534
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.168
_shelx_estimated_absorpt_t_max   0.372
_shelx_res_checksum              17470
_shelx_hkl_checksum              77506
_shelx_fab_checksum              76018