Tuning of Redox Potentials for the Design of Ruthenium Anticancer Drugs - an Electrochemical Study of [trans-RuCl4L(DMSO)]- and [trans-RuCl4L2]- Complexes, where L = Imidazole, 1,2,4-Triazole, Indazole
Erwin Reisner; Vladimir B. Arion; M. Fátima C. Guedes da Silva; Roman Lichtenecker; Anna Eichinger; Bernhard K. Keppler; Vadim Yu. Kukushkin; Armando J.L. Pombeiro; Inorganic Chemistry 43 (2004) 7083–7093; doi:10.1021/ic049479c

data_4311947
_publ_section_title
;
 Tuning of Redox Potentials for the Design of Ruthenium Anticancer Drugs -
 an Electrochemical Study of [trans-RuCl4L(DMSO)]- and [trans-RuCl4L2]-
 Complexes, where L = Imidazole, 1,2,4-Triazole, Indazole
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              7083
_journal_page_last               7093
_journal_paper_doi               10.1021/ic049479c
_journal_volume                  43
_journal_year                    2004
_chemical_formula_sum            'C29 H31 Cl4 N3 O P Ru S'
_chemical_formula_weight         743.47
_chemical_name_systematic
; 
Benzyltriphenylphosphonium trans-tetrachlorodimethyl-
sulfoxidetriazoleruthenate(III)
;
_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                112.15(3)
_cell_angle_beta                 109.16(3)
_cell_angle_gamma                90.90(3)
_cell_formula_units_Z            2
_cell_length_a                   9.599(2)
_cell_length_b                   12.680(3)
_cell_length_c                   14.476(3)
_cell_measurement_temperature    120(2)
_cell_volume                     1521.8(8)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      120(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_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  0.0155
_diffrn_reflns_av_sigmaI/netI    0.0290
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            17380
_diffrn_reflns_theta_full        30.49
_diffrn_reflns_theta_max         30.49
_diffrn_reflns_theta_min         2.27
_exptl_absorpt_coefficient_mu    1.017
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.622
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             754
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.09
_refine_diff_density_max         2.632
_refine_diff_density_min         -1.115
_refine_diff_density_rms         0.081
_refine_ls_extinction_coef       0.0047(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.068
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     474
_refine_ls_number_reflns         9265
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.068
_refine_ls_R_factor_all          0.0355
_refine_ls_R_factor_gt           0.0304
_refine_ls_shift/su_max          0.015
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0272P)^2^+1.8641P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0754
_refine_ls_wR_factor_ref         0.0780
_reflns_number_gt                8338
_reflns_number_total             9265
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic049479csi20040624_074927_2.cif
_cod_data_source_block           154b(A2a)
_cod_original_cell_volume        1521.8(6)
_cod_database_code               4311947