Synthesis, cytotoxicity, DNA interaction and cell cycle studies of trans-diiodophosphine Pt(ii) complexes.
Medrano, Angeles; Dennis, Stephen M.; Alvarez-Valdés, Amparo; Perles, Josefina; McGregor Mason, Tracey; Quiroga, Adoracion G.; Dalton transactions (Cambridge, England : 2003) 44 (2015) 3557–3562; doi:10.1039/c4dt02392g

data_7032765
_publ_section_title
;
 Synthesis, cytotoxicity, DNA interaction and cell cycle studies of
 trans-diiodophosphine Pt(ii) complexes.
;
_journal_issue                   8
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3557
_journal_page_last               3562
_journal_paper_doi               10.1039/c4dt02392g
_journal_volume                  44
_journal_year                    2015
_chemical_formula_sum            'C21 H24 I2 N P Pt'
_chemical_formula_weight         770.27
_chemical_name_common            MM67
_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           'SHELXTL-97 (Sheldrick, 2008)'
_cell_angle_alpha                84.048(4)
_cell_angle_beta                 81.976(4)
_cell_angle_gamma                86.335(4)
_cell_formula_units_Z            2
_cell_length_a                   9.5189(7)
_cell_length_b                   10.9327(10)
_cell_length_c                   11.5197(10)
_cell_measurement_reflns_used    9235
_cell_measurement_temperature    296.(2)
_cell_measurement_theta_max      27.8259
_cell_measurement_theta_min      2.4677
_cell_volume                     1179.20(17)
_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_molecular_graphics    'Mercury 3.1'
_computing_publication_material  'SHELXTL-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296.(2)
_diffrn_detector_area_resol_mean 8.3333
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Bruker Kappa Apex II'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0400
_diffrn_reflns_av_sigmaI/netI    0.0228
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            51025
_diffrn_reflns_theta_full        28.35
_diffrn_reflns_theta_max         28.35
_diffrn_reflns_theta_min         1.79
_exptl_absorpt_coefficient_mu    8.641
_exptl_absorpt_correction_T_max  0.48
_exptl_absorpt_correction_T_min  0.31
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            'light orange'
_exptl_crystal_density_diffrn    2.169
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             712
_exptl_crystal_size_max          0.220
_exptl_crystal_size_mid          0.190
_exptl_crystal_size_min          0.100
_refine_diff_density_max         1.103
_refine_diff_density_min         -1.964
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.000
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     237
_refine_ls_number_reflns         5847
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.000
_refine_ls_R_factor_all          0.0394
_refine_ls_R_factor_gt           0.0281
_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^)+(0.0827P)^2^+0.3094P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0924
_refine_ls_wR_factor_ref         0.1129
_reflns_number_gt                4953
_reflns_number_total             5847
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4dt02392g2.cif
_cod_data_source_block           I
_cod_depositor_comments          'Adding full bibliography for 7032765.cif.'
_cod_database_code               7032765