Racemic (<i>RS</i>~C~,<i>SR</i>~S~)-(2-{[1-allyloxycarbonyl-3-(methylsulfanyl)propyl]iminomethyl}phenyl-κ^3^<i>S</i>,<i>N</i>,<i>C</i>^1^)chloridoplatinum(II)
Isozaki, Katsuhiro; Sato, Akira; Miki, Kazushi; Acta Crystallographica Section E 65 (2009) m1401–; doi:10.1107/S160053680904238X

data_2223869
_publ_section_title
;Racemic
 (<i>RS</i>~C~,<i>SR</i>~S~)-(2-{[1-allyloxycarbonyl-3-(methylsulfanyl)propyl]iminomethyl}phenyl-\k^3^<i>S</i>,<i>N</i>,<i>C</i>^1^)chloridoplatinum(II)
;
_journal_coeditor_code           IS2471
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1401
_journal_paper_doi               10.1107/S160053680904238X
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac          '[Pt (C15 H18 N O2 S) Cl]'
_chemical_formula_moiety         'C15 H18 Cl N O2 Pt S'
_chemical_formula_sum            'C15 H18 Cl N O2 Pt S'
_chemical_formula_weight         506.90
_chemical_name_systematic
;
(<i>RS</i>~C~,<i>SR</i>~S~)-(2-{[1-allyloxycarbonyl-3-
(methylsulfanyl)propyl]iminomethyl}phenyl-
\k^3^<i>S</i>,<i>N</i>,<i>C</i>^1^)chloridoplatinum(II)
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 94.398(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.6000(13)
_cell_length_b                   9.5093(14)
_cell_length_c                   19.679(3)
_cell_measurement_reflns_used    1024
_cell_measurement_temperature    180(2)
_cell_measurement_theta_max      26.0
_cell_measurement_theta_min      2.8
_cell_volume                     1604.6(4)
_computing_cell_refinement       'SAINT (Bruker, 2003)'
_computing_data_collection       'SMART (Bruker, 2003)'
_computing_data_reduction        'SAINT (Bruker, 2003)'
_computing_molecular_graphics    'ORTEP-3 (Farrugia, 1997)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      180(2)
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type  'Bruker SMART APEX CCD area-detector'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0237
_diffrn_reflns_av_sigmaI/netI    0.0206
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            12273
_diffrn_reflns_theta_full        25.99
_diffrn_reflns_theta_max         25.99
_diffrn_reflns_theta_min         2.38
_exptl_absorpt_coefficient_mu    9.043
_exptl_absorpt_correction_T_max  0.862
_exptl_absorpt_correction_T_min  0.610
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(<i>SADABS</i>; Bruker, 2003)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    2.098
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             968
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.359
_refine_diff_density_min         -0.475
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.072
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     191
_refine_ls_number_reflns         3105
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.072
_refine_ls_R_factor_all          0.0229
_refine_ls_R_factor_gt           0.0202
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0330P)^2^+0.6405P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0507
_refine_ls_wR_factor_ref         0.0518
_reflns_number_gt                2854
_reflns_number_total             3105
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            is2471.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2223869
_cod_database_fobs_code          2223869