Monofunctional platinum(II) dithiocarbamate complexes: Synthesis, characterization and anticancer activity
Amir, Muhammad Kashif; Rehman, Zia-ur-; Hayat, Faisal; Khan, Shahan Zeb; Hogarth, G.; Kondratyuk, Tamara P.; Pezzuto, J. M.; Tahir, Muhammad Nawaz; RSC Adv.  (2016) –; doi:10.1039/C6RA19469A

data_7227094
_publ_section_title
;
 Monofunctional platinum(II) dithiocarbamate complexes: Synthesis,
 characterization and anticancer activity
;
_journal_name_full               'RSC Adv.'
_journal_paper_doi               10.1039/C6RA19469A
_journal_year                    2016
_chemical_formula_iupac          'C30 H27 Cl F3 N2 O P Pt S2'
_chemical_formula_moiety         'C30 H27 Cl F3 N2 O P Pt S2'
_chemical_formula_sum            'C30 H27 Cl F3 N2 O P Pt S2'
_chemical_formula_weight         814.16
_chemical_name_systematic
;
Chloro-(4-(4-methoxyphenyl)piperazine-1-carbodithioato-S,S')
-tri(4-fluorophenylphosphine)-platinum(ii)
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2016-07-29 deposited with the CCDC.
2016-11-09 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 96.837(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   19.2669(11)
_cell_length_b                   9.8920(6)
_cell_length_c                   16.4584(9)
_cell_measurement_reflns_used    5030
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      28.017
_cell_measurement_theta_min      2.318
_cell_volume                     3114.5(3)
_computing_cell_refinement       'SAINT (Bruker, 2007)'
_computing_data_collection       'APEX2 (Bruker, 2007)'
_computing_data_reduction        'SAINT (Bruker, 2007)'
_computing_molecular_graphics
'ORTEP-3 for Windows (Farrugia, 1997) and PLATON (Spek, 2009)'
_computing_publication_material
;
WinGX (Farrugia, 1999) and PLATON (Spek, 2009)
;
_computing_structure_refinement  'SHELXL-2014/6  (Sheldrick, 2015)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_detector_area_resol_mean 7.50
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Bruker Kappa APEXII CCD'
_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  0.0577
_diffrn_reflns_av_unetI/netI     0.0655
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            27678
_diffrn_reflns_theta_full        28.017
_diffrn_reflns_theta_max         28.017
_diffrn_reflns_theta_min         2.318
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    4.821
_exptl_absorpt_correction_T_max  0.515
_exptl_absorpt_correction_T_min  0.285
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2005)'
_exptl_crystal_colour            'light brown'
_exptl_crystal_density_diffrn    1.738
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             1592
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.16
_refine_diff_density_max         0.746
_refine_diff_density_min         -0.747
_refine_diff_density_rms         0.110
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.976
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     345
_refine_ls_number_reflns         7449
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.976
_refine_ls_R_factor_all          0.0752
_refine_ls_R_factor_gt           0.0386
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0262P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0663
_refine_ls_wR_factor_ref         0.0760
_reflns_number_gt                5030
_reflns_number_total             7449
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            c6ra19469a2.cif
_cod_data_source_block           K10QAU
_cod_database_code               7227094
_shelx_shelxl_version_number     2014/7
_shelx_res_checksum              87405