Pt(II) and Pd(II) complexes with a thiazoline derivative ligand: Synthesis, structural characterization, antiproliferative activity and evaluation of proapoptotic ability in tumor cell lines HT-29 and U-937
Fernandez-Delgado, Elena de la Cruz-Martinez, Felipe Galan, Carmen Franco, Lourdes Espino, Javier Vinuelas-Zahinos, Emilio Lu Bejarano, Ignacio; Journal of Inorganic Biochemistry 202 (2020) 110870–; doi:10.1016/j.jinorgbio.2019.110870

data_4039026
_publ_author_name
'Fernandez-Delgado, Elena de la Cruz-Martinez, Felipe Galan, Carmen Franco, Lourdes Espino, Javier Vinuelas-Zahinos, Emilio Lu Bejarano, Ignacio'
_publ_contact_author
;
Emilio, Vinuelas-Zahinos
Departament Inorganic Chemistry, 
University Extremadura, 
Badajoz,
;
_publ_contact_author_email       emilvin@unex.es
_publ_contact_author_phone       924289300
_publ_section_title
;
 Pt(II) and Pd(II) complexes with a thiazoline derivative ligand:
 Synthesis, structural characterization, antiproliferative activity and
 evaluation of proapoptotic ability in tumor cell lines HT-29 and U-937
;
_journal_name_full               'Journal of Inorganic Biochemistry'
_journal_page_first              110870
_journal_paper_doi               10.1016/j.jinorgbio.2019.110870
_journal_volume                  202
_journal_year                    2020
_chemical_formula_sum            'C12 H11 Cl4 N3 Pd S2'
_chemical_formula_weight         509.56
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   difmap
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             2019-02-14T13:31:18-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                76.613(5)
_cell_angle_beta                 89.317(5)
_cell_angle_gamma                69.446(5)
_cell_formula_units_Z            2
_cell_length_a                   8.971(5)
_cell_length_b                   9.039(5)
_cell_length_c                   11.497(5)
_cell_measurement_reflns_used    10099
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      28.32
_cell_measurement_theta_min      1.826
_cell_volume                     846.7(8)
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0
_diffrn_measured_fraction_theta_max 0.92
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0298
_diffrn_reflns_av_unetI/netI     0.0334
_diffrn_reflns_Laue_measured_fraction_full 0
_diffrn_reflns_Laue_measured_fraction_max 0.92
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            10099
_diffrn_reflns_point_group_measured_fraction_full 0
_diffrn_reflns_point_group_measured_fraction_max 0.92
_diffrn_reflns_theta_full        0.5
_diffrn_reflns_theta_max         28.32
_diffrn_reflns_theta_min         1.826
_exptl_absorpt_coefficient_mu    1.97
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.6067
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2012)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.999
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             500
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.866
_refine_diff_density_min         -1.317
_refine_diff_density_rms         0.096
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     199
_refine_ls_number_reflns         3884
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.027
_refine_ls_R_factor_all          0.0271
_refine_ls_R_factor_gt           0.0256
_refine_ls_shift/su_max          0
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0248P)^2^+1.1258P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0626
_refine_ls_wR_factor_ref         0.0636
_reflns_Friedel_coverage         0
_reflns_number_gt                3662
_reflns_number_total             3884
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            PdTdTn.cif
_cod_data_source_block           pdtdtnm_0m
_cod_database_code               4039026
_shelxl_version_number           2014-3
_shelx_res_checksum              35279
_shelx_hkl_checksum              40857