Synthesis, Characterization, and in Vitro Evaluation of a Potentially Selective Anticancer, Mixed-Metal [Ruthenium(III)-Platinum(II)] Trinuclear Complex
Amnon Herman; Joseph M. Tanski; Michael F. Tibbetts; Craig M. Anderson; Inorganic Chemistry 47 (2008) 274–280; doi:10.1021/ic062419h

data_4303947
_publ_section_title
;
Synthesis, Characterization, and in Vitro Evaluation of a Potentially
Selective Anticancer, Mixed-Metal [Ruthenium(III)-Platinum(II)]
Trinuclear Complex
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              274
_journal_page_last               280
_journal_paper_doi               10.1021/ic062419h
_journal_volume                  47
_journal_year                    2008
_chemical_formula_sum            'C15 H26 Cl10 N4 Na2 O3 Pt Ru2 S2'
_chemical_formula_weight         1172.23
_chemical_name_systematic
;
 ?
;
_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
_cell_angle_alpha                106.517(2)
_cell_angle_beta                 95.159(2)
_cell_angle_gamma                115.745(2)
_cell_formula_units_Z            2
_cell_length_a                   12.526(2)
_cell_length_b                   12.667(2)
_cell_length_c                   17.570(3)
_cell_measurement_reflns_used    928
_cell_measurement_temperature    115(2)
_cell_measurement_theta_max      22.87
_cell_measurement_theta_min      2.49
_cell_volume                     2332.8(7)
_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      115(2)
_diffrn_measured_fraction_theta_full 0.904
_diffrn_measured_fraction_theta_max 0.904
_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  0.0928
_diffrn_reflns_av_sigmaI/netI    0.2018
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            50545
_diffrn_reflns_theta_full        28.17
_diffrn_reflns_theta_max         28.17
_diffrn_reflns_theta_min         1.86
_exptl_absorpt_coefficient_mu    4.331
_exptl_absorpt_correction_T_max  0.8810
_exptl_absorpt_correction_T_min  0.6029
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   twinabs
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.669
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1116
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.03
_refine_diff_density_max         8.659
_refine_diff_density_min         -5.649
_refine_diff_density_rms         0.447
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.012
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     350
_refine_ls_number_reflns         33000
_refine_ls_number_restraints     33
_refine_ls_restrained_S_all      1.026
_refine_ls_R_factor_all          0.1776
_refine_ls_R_factor_gt           0.1045
_refine_ls_shift/su_max          0.212
_refine_ls_shift/su_mean         0.009
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1490P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2570
_refine_ls_wR_factor_ref         0.3003
_reflns_number_gt                17541
_reflns_number_total             10350
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic062419h-file004.cif
_cod_data_source_block           ru2ptna_0t
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        2332.9(7)
_cod_database_code               4303947