Crystal structure of di-chlorido-(1,2-phenyl-enedi-amine-κ<sup>2</sup><i>N</i>,<i>N</i>')platinum(II).
Konno, Yosuke; Matsushita, Nobuyuki; Acta crystallographica. Section E, Crystallographic communications 73 (2017) 1009–1012; doi:10.1107/S2056989017008477

data_2311390
_publ_section_title
;
 Crystal structure of
 di-chlorido-(1,2-phenyl-enedi-amine-\k<sup>2</sup><i>N</i>,<i>N</i>')platinum(II).
;
_journal_coeditor_code           WM5396
_journal_issue                   'Pt 7'
_journal_name_full
'Acta crystallographica. Section E, Crystallographic communications'
_journal_page_first              1009
_journal_page_last               1012
_journal_paper_doi               10.1107/S2056989017008477
_journal_volume                  73
_journal_year                    2017
_chemical_formula_iupac          '[Pt Cl2 (C6 H8 N2)]'
_chemical_formula_moiety         'C6 H8 Cl2 N2 Pt'
_chemical_formula_sum            'C6 H8 Cl2 N2 Pt'
_chemical_formula_weight         374.13
_chemical_name_systematic
;
Dichlorido(1,2-phenylenediamine-\k^2^<i>N</i>,<i>N</i>')platinum(II)
;
_space_group_IT_number           13
_space_group_name_Hall           '-P 2yc'
_space_group_name_H-M_alt        'P 1 2/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 116.61(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   7.087(2)
_cell_length_b                   10.446(3)
_cell_length_c                   6.6920(16)
_cell_measurement_reflns_used    12924
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      32.57
_cell_measurement_theta_min      1.95
_cell_volume                     442.9(2)
_computing_cell_refinement
;
RAPID-AUTO (Rigaku, 1998)
;
_computing_data_collection
;
RAPID-AUTO (Rigaku, 1998)
;
_computing_data_reduction
;
RAPID-AUTO (Rigaku, 1998)
;
_computing_molecular_graphics
;
DIAMOND (Brandenburg, 2017)
;
_computing_publication_material
;
SHELXL97 (Sheldrick, 2008) and publCIF (Westrip, 2010)
;
_computing_structure_refinement
;
SHELXL97 (Sheldrick, 2008)
;
_computing_structure_solution
;
SIR92 (Altomare <i>et al.</i>,  1994)
;
_diffrn_ambient_temperature      296(2)
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID imaging-plate'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray sealed tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0295
_diffrn_reflns_av_sigmaI/netI    0.0133
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       8
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            10875
_diffrn_reflns_theta_full        32.57
_diffrn_reflns_theta_max         32.57
_diffrn_reflns_theta_min         3.22
_exptl_absorpt_coefficient_mu    16.377
_exptl_absorpt_correction_T_max  0.304
_exptl_absorpt_correction_T_min  0.116
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(<i>ABSCOR</i>; Higashi, 1995)
;
_exptl_crystal_colour            'pale brown'
_exptl_crystal_density_diffrn    2.805
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             340
_exptl_crystal_size_max          0.255
_exptl_crystal_size_mid          0.127
_exptl_crystal_size_min          0.073
_refine_diff_density_max         4.621
_refine_diff_density_min         -1.744
_refine_ls_extinction_coef       0.0039(12)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method
;
SHELXL97 (Sheldrick, 2008)
;
_refine_ls_goodness_of_fit_ref   1.179
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     52
_refine_ls_number_reflns         1587
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.179
_refine_ls_R_factor_all          0.0359
_refine_ls_R_factor_gt           0.0341
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0669P)^2^+0.3105P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0978
_refine_ls_wR_factor_ref         0.0991
_reflns_number_gt                1480
_reflns_number_total             1587
_reflns_threshold_expression     F^2^>2\s(F^2^)
_cod_data_source_file            wm5396sup1.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 2/c'
_cod_database_code               2311390