Oxidation of anticancer Pt(II) complexes with monodentate phosphane ligands: towards stable but active Pt(IV) prodrugs
Maria Angeles Medrano; Amparo Alvarez-Valdes; Josefina Perles; Julio Lloret-Fillol; Sandra Munoz-Galvan; Amancio Carnero; Carmen Navarro-Ranninger; Adoracion G. Quiroga; Chem.Commun. 49 (2013) 4806–; doi:10.1039/c3cc38416k

data_7109292
_publ_section_title
;
 Oxidation of anticancer Pt(II) complexes with monodentate phosphane
 ligands: towards stable but active Pt(IV) prodrugs
;
_journal_name_full               Chem.Commun.
_journal_page_first              4806
_journal_paper_doi               10.1039/c3cc38416k
_journal_volume                  49
_journal_year                    2013
_chemical_formula_sum            'C21 H22 Cl4 N P Pt'
_chemical_formula_weight         656.26
_chemical_name_common            MM43
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_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
_cell_angle_alpha                72.771(5)
_cell_angle_beta                 75.680(4)
_cell_angle_gamma                71.733(4)
_cell_formula_units_Z            2
_cell_length_a                   9.0349(8)
_cell_length_b                   9.8658(9)
_cell_length_c                   14.1981(13)
_cell_measurement_reflns_used    9880
_cell_measurement_temperature    100.(2)
_cell_measurement_theta_max      26.5246
_cell_measurement_theta_min      2.6223
_cell_volume                     1131.09(18)
_computing_cell_refinement       'SAINT V7.68A (Bruker AXS, 2009)'
_computing_data_collection       'Bruker Instrument Service v2010.9.0.0'
_computing_data_reduction        'SAINT V7.68A (Bruker AXS, 2009)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100.(2)
_diffrn_detector_area_resol_mean 8.3333
_diffrn_measured_fraction_theta_full 0.960
_diffrn_measured_fraction_theta_max 0.960
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0340
_diffrn_reflns_av_sigmaI/netI    0.0238
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            30087
_diffrn_reflns_theta_full        26.83
_diffrn_reflns_theta_max         26.83
_diffrn_reflns_theta_min         1.52
_exptl_absorpt_coefficient_mu    6.754
_exptl_absorpt_correction_T_max  0.55
_exptl_absorpt_correction_T_min  0.40
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            'clear yellow'
_exptl_crystal_density_diffrn    1.927
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             632
_exptl_crystal_size_max          0.220
_exptl_crystal_size_mid          0.190
_exptl_crystal_size_min          0.100
_refine_diff_density_max         1.366
_refine_diff_density_min         -3.017
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.097
_refine_ls_hydrogen_treatment    refxyz
_refine_ls_matrix_type           full
_refine_ls_number_parameters     255
_refine_ls_number_reflns         4662
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.097
_refine_ls_R_factor_all          0.0305
_refine_ls_R_factor_gt           0.0220
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1000P)^2^+0.8847P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0706
_refine_ls_wR_factor_ref         0.1264
_reflns_number_gt                4337
_reflns_number_total             4662
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3cc38416k.txt
_cod_data_source_block           00540
_cod_database_code               7109292