In Vitro Antiproliferative Activity of Palladium(II) Thiosemicarbazone Complexes and the Corresponding Functionalized Chitosan Coated Magnetite Nanoparticles
Spodine, Evgenia; Hernández, Wilfredo; Vaisberg, Abraham; Tobar, Mabel; Alvarez, Melisa; Manzur, Jorge; Echevarría, Yuri; New J. Chem. 40 (2016) 1853–1860; doi:10.1039/C5NJ02429C

data_7055219
_publ_section_title
;
 In Vitro Antiproliferative Activity of Palladium(II) Thiosemicarbazone
 Complexes and the Corresponding Functionalized Chitosan Coated Magnetite
 Nanoparticles
;
_journal_issue                   2
_journal_name_full               'New J. Chem.'
_journal_page_first              1853
_journal_page_last               1860
_journal_paper_doi               10.1039/C5NJ02429C
_journal_volume                  40
_journal_year                    2016
_chemical_formula_moiety         'C36 H28 N6 Pd S2, 4(C3 H6 O)'
_chemical_formula_sum            'C48 H52 N6 O4 Pd S2'
_chemical_formula_weight         947.50
_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
_audit_update_record
;
2015-09-09 deposited with the CCDC.
2015-12-10 downloaded from the CCDC.
;
_cell_angle_alpha                80.061(9)
_cell_angle_beta                 80.638(9)
_cell_angle_gamma                82.591(9)
_cell_formula_units_Z            1
_cell_length_a                   7.957(5)
_cell_length_b                   9.112(5)
_cell_length_c                   16.833(10)
_cell_measurement_reflns_used    999
_cell_measurement_temperature    297(2)
_cell_measurement_theta_max      48.579
_cell_measurement_theta_min      4.845
_cell_volume                     1179.7(12)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      297(2)
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.902
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0337
_diffrn_reflns_av_sigmaI/netI    0.0556
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            9945
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         27.96
_diffrn_reflns_theta_min         2.28
_exptl_absorpt_coefficient_mu    0.530
_exptl_absorpt_correction_T_max  0.943
_exptl_absorpt_correction_T_min  0.821
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            Orenge
_exptl_crystal_density_diffrn    1.334
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Plate
_exptl_crystal_F_000             492
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.31
_exptl_crystal_size_min          0.11
_refine_diff_density_max         2.037
_refine_diff_density_min         -1.218
_refine_diff_density_rms         0.124
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     285
_refine_ls_number_reflns         5103
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.035
_refine_ls_R_factor_all          0.0674
_refine_ls_R_factor_gt           0.0594
_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^)+(0.0975P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1462
_refine_ls_wR_factor_ref         0.1525
_reflns_number_gt                4424
_reflns_number_total             5103
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5nj02429c2.cif
_cod_data_source_block           aijm_c3_ab1
_cod_original_sg_symbol_Hall     -P1
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7055219
_publcif_datablock.id            {d9eb1296-3fc6-4e21-a547-51486f56eaae}