Novel Imino Thioether Complexes of Platinum(II): Synthesis, Structural Investigation, and Biological Activity
Paolo Sgarbossa; Silvia Mazzega Sbovata; Roberta Bertani; Mirto Mozzon; Franco Benetollo; Cristina Marzano; Valentina Gandin; Rino A. Michelin; Inorganic Chemistry 52 (2013) 5729–5741; doi:10.1021/ic3024452

data_4334807
_publ_section_title
;
 Novel Imino Thioether Complexes of Platinum(II): Synthesis, Structural
 Investigation, and Biological Activity
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5729
_journal_page_last               5741
_journal_paper_doi               10.1021/ic3024452
_journal_volume                  52
_journal_year                    2013
_chemical_formula_moiety         trans-[PtCl~2~(E-N(H)=C(SEt)CH~2~Ph)~2~
_chemical_formula_sum            'C20 H26 Cl2 N2 Pt S2'
_chemical_formula_weight         624.54
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                104.16(3)
_cell_angle_beta                 94.14(2)
_cell_angle_gamma                109.02(3)
_cell_formula_units_Z            4
_cell_length_a                   13.275(3)
_cell_length_b                   13.337(3)
_cell_length_c                   14.836(3)
_cell_measurement_temperature    293(2)
_cell_volume                     2374.5(11)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR97 (Altomare et al. 1999)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Philips PW1100'
_diffrn_measurement_method       \Q/2\Q
_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  0.0294
_diffrn_reflns_av_sigmaI/netI    0.0360
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -1
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            8719
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         3.06
_exptl_absorpt_coefficient_mu    6.318
_exptl_absorpt_correction_T_max  0.7720
_exptl_absorpt_correction_T_min  0.3540
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details
'A. T. C. North, et al. Acta Cryst., A24 (1968) 351'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.747
_exptl_crystal_description       prism
_exptl_crystal_F_000             1216
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.36
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.945
_refine_diff_density_min         -1.038
_refine_diff_density_rms         0.164
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.330
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     492
_refine_ls_number_reflns         8318
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.330
_refine_ls_R_factor_all          0.0696
_refine_ls_R_factor_gt           0.0557
_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^)+(0.0000P)^2^+27.6707P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1292
_refine_ls_wR_factor_ref         0.1390
_reflns_number_gt                7285
_reflns_number_total             8318
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic3024452_si_001_3.cif
_cod_data_source_block           ptbz-trans-(7)
_cod_original_cell_volume        2374.5(9)
_cod_database_code               4334807