Heterometallic titanium‒gold complexes inhibit renal cancer cells in vitro and in vivo
Fernández-Gallardo, Jacob; Elie, Benelita T.; Sadhukha, Tanmoy; Prabha, Swayam; Sanaú, Mercedes; Rotenberg, Susan A.; Ramos, Joe W.; Contel, María; Chem. Sci. 6 (2015) 5269–; doi:10.1039/C5SC01753J

data_1520638
_publ_section_title
;
 Heterometallic titanium--gold complexes inhibit renal cancer cells in
 vitro and in vivo
;
_journal_issue                   9
_journal_name_full               'Chem. Sci.'
_journal_page_first              5269
_journal_paper_doi               10.1039/C5SC01753J
_journal_volume                  6
_journal_year                    2015
_chemical_formula_sum            'C29 H24 Au Fe O2 P S'
_chemical_formula_weight         720.33
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_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
_audit_update_record
;
2015-05-13 deposited with the CCDC.
2015-06-23 downloaded from the CCDC.
;
_cell_angle_alpha                108.4110(11)
_cell_angle_beta                 96.8050(12)
_cell_angle_gamma                95.3800(12)
_cell_formula_units_Z            2
_cell_length_a                   9.18700(10)
_cell_length_b                   9.9640(2)
_cell_length_c                   15.5540(3)
_cell_measurement_temperature    293(2)
_cell_volume                     1328.34(4)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(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  0.0314
_diffrn_reflns_av_sigmaI/netI    0.0427
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            11560
_diffrn_reflns_theta_full        27.53
_diffrn_reflns_theta_max         27.53
_diffrn_reflns_theta_min         1.40
_exptl_absorpt_coefficient_mu    6.225
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.801
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Parallelepiped
_exptl_crystal_F_000             700
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: Dichloromethane'
_refine_diff_density_max         0.725
_refine_diff_density_min         -2.116
_refine_diff_density_rms         0.331
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.104
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     317
_refine_ls_number_reflns         6102
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.104
_refine_ls_R_factor_all          0.0527
_refine_ls_R_factor_gt           0.0331
_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^)+(0.0678P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0846
_refine_ls_wR_factor_ref         0.1148
_reflns_number_gt                4833
_reflns_number_total             6102
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5sc01753j2.cif
_cod_data_source_block           shelxl
_cod_depositor_comments          'Adding full bibliography for 1520638.cif.'
_cod_original_sg_symbol_H-M      P1
_cod_database_code               1520638