Arene ruthenium(ii) complex, a potent inhibitor against proliferation, migration and invasion of breast cancer cells, reduces stress fibers, focal adhesions and invadopodia.
Wu, Qiong; He, Jiangtu; Mei, Wenjie; Zhang, Zhao; Wu, Xiaohui; Sun, Fenyong; Metallomics : integrated biometal science 6 (2014) 2204–2212; doi:10.1039/c4mt00158c

data_1517414
_publ_section_title
;
 Arene ruthenium(ii) complex, a potent inhibitor against proliferation,
 migration and invasion of breast cancer cells, reduces stress fibers,
 focal adhesions and invadopodia.
;
_journal_issue                   12
_journal_name_full               'Metallomics : integrated biometal science'
_journal_page_first              2204
_journal_page_last               2212
_journal_paper_doi               10.1039/c4mt00158c
_journal_volume                  6
_journal_year                    2014
_chemical_formula_sum            'C27 H18 Cl N5 O2.25 Ru'
_chemical_formula_weight         584.98
_chemical_name_systematic
;
?
;
_space_group_IT_number           114
_symmetry_space_group_name_Hall  'P -4 2n'
_symmetry_space_group_name_H-M   'P -4 21 c'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   27.1414(5)
_cell_length_b                   27.1414(5)
_cell_length_c                   7.5825(4)
_cell_measurement_temperature    293(2)
_cell_volume                     5585.7(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_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  0.0650
_diffrn_reflns_av_sigmaI/netI    0.0935
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_h_min       -32
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            14890
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         3.00
_exptl_absorpt_coefficient_mu    0.689
_exptl_crystal_density_diffrn    1.391
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2352
_refine_diff_density_max         1.482
_refine_diff_density_min         -0.497
_refine_diff_density_rms         0.131
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.13(9)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.123
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     327
_refine_ls_number_reflns         4856
_refine_ls_number_restraints     9
_refine_ls_restrained_S_all      1.122
_refine_ls_R_factor_all          0.0856
_refine_ls_R_factor_gt           0.0650
_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^)+(0.0999P)^2^+8.6727P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1963
_refine_ls_wR_factor_ref         0.2121
_reflns_number_gt                3856
_reflns_number_total             4856
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4mt00158c3.cif
_cod_data_source_block           1
_cod_depositor_comments          'Adding full bibliography for 1517414.cif.'
_cod_database_code               1517414