An anti-cancer trinuclear ruthenium(iii) complex with 2-thiosalicylate ligands attenuates Wnt-β-catenin signaling
Lai-Fung Chan, Sharon; Wai-Yin Sun, Raymond; Choi, Mei-Yuk; Zeng, Yibo; Shek, Lam; Sin-Yin Chui, Stephen; Che, Chi-Ming; Chemical Science 2 (2011) 1788–; doi:10.1039/c1sc00203a

data_1515649
_publ_section_title
;
 An anti-cancer trinuclear ruthenium(iii) complex with 2-thiosalicylate
 ligands attenuates Wnt-\b-catenin signaling
;
_journal_issue                   9
_journal_name_full               'Chemical Science'
_journal_page_first              1788
_journal_paper_doi               10.1039/c1sc00203a
_journal_volume                  2
_journal_year                    2011
_chemical_formula_moiety         'C42 H26 O12 Ru3 S6, C8 H20 N, 6(H2 O)'
_chemical_formula_sum            'C50 H58 N O18 Ru3 S6'
_chemical_formula_weight         1456.60
_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                106.03(3)
_cell_angle_beta                 90.59(4)
_cell_angle_gamma                105.44(2)
_cell_formula_units_Z            1
_cell_length_a                   10.577(2)
_cell_length_b                   10.715(2)
_cell_length_c                   13.367(3)
_cell_measurement_reflns_used    100
_cell_measurement_temperature    298
_cell_measurement_theta_max      35
_cell_measurement_theta_min      3
_cell_volume                     1397.7(6)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      298
_diffrn_measured_fraction_theta_full 0.969
_diffrn_measured_fraction_theta_max 0.969
_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  0.0157
_diffrn_reflns_av_sigmaI/netI    0.0211
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            7179
_diffrn_reflns_theta_full        25.02
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         1.59
_exptl_absorpt_coefficient_mu    1.097
_exptl_absorpt_correction_T_max  0.96
_exptl_absorpt_correction_T_min  0.94
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.730
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             737
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.078
_refine_diff_density_min         -0.682
_refine_diff_density_rms         0.071
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     403
_refine_ls_number_reflns         4794
_refine_ls_number_restraints     19
_refine_ls_restrained_S_all      2.457
_refine_ls_R_factor_all          0.0317
_refine_ls_R_factor_gt           0.0279
_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^)+(0.0505P)^2^+0.6185P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0754
_refine_ls_wR_factor_ref         0.0782
_reflns_number_gt                4307
_reflns_number_total             4794
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c1sc00203a.txt
_cod_data_source_block           fung1
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               1515649