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_7109293
_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            'C20 H22 Cl4 N P Pt'
_chemical_formula_weight         644.25
_chemical_name_common            MM30s1
_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
_audit_creation_method           'APEX2 v2010.9-1'
_cell_angle_alpha                73.172(3)
_cell_angle_beta                 75.434(3)
_cell_angle_gamma                69.505(4)
_cell_formula_units_Z            2
_cell_length_a                   8.6761(7)
_cell_length_b                   9.8525(8)
_cell_length_c                   14.2672(11)
_cell_measurement_reflns_used    9996
_cell_measurement_temperature    100.(2)
_cell_measurement_theta_max      28.2889
_cell_measurement_theta_min      2.9893
_cell_volume                     1078.02(15)
_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 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0240
_diffrn_reflns_av_sigmaI/netI    0.0135
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            37418
_diffrn_reflns_theta_full        28.29
_diffrn_reflns_theta_max         28.29
_diffrn_reflns_theta_min         1.51
_exptl_absorpt_coefficient_mu    7.084
_exptl_absorpt_correction_T_max  0.33
_exptl_absorpt_correction_T_min  0.25
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            'clear yellow'
_exptl_crystal_density_diffrn    1.985
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             620
_exptl_crystal_size_max          0.320
_exptl_crystal_size_mid          0.240
_exptl_crystal_size_min          0.200
_refine_diff_density_max         1.165
_refine_diff_density_min         -1.644
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.196
_refine_ls_hydrogen_treatment    refxyz
_refine_ls_matrix_type           full
_refine_ls_number_parameters     246
_refine_ls_number_reflns         5342
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.196
_refine_ls_R_factor_all          0.0158
_refine_ls_R_factor_gt           0.0122
_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^)+(0.0558P)^2^+0.7680P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0454
_refine_ls_wR_factor_ref         0.0777
_reflns_number_gt                5247
_reflns_number_total             5342
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3cc38416k.txt
_cod_data_source_block           00524
_cod_database_code               7109293