Synthesis and structural characterization of new ruthenium(ii) complexes and investigation of their antiproliferative and metastatic effect against human lung cancer (A549) cells
Kalaivani, P.; Prabhakaran, R.; Poornima, P.; Huang, R.; Hornebecq, V.; Dallemer, F.; Vijaya Padma, V.; Natarajan, K.; RSC Advances 3 (2013) 20363–; doi:10.1039/c3ra43335h

data_7239181
_publ_section_title
;
 Synthesis and structural characterization of new ruthenium(ii) complexes
 and investigation of their antiproliferative and metastatic effect
 against human lung cancer (A549) cells
;
_journal_issue                   43
_journal_name_full               'RSC Advances'
_journal_page_first              20363
_journal_paper_doi               10.1039/c3ra43335h
_journal_volume                  3
_journal_year                    2013
_chemical_formula_sum            'C102 H88 Cl2 N6 O5 P4 Ru2 S2'
_chemical_formula_weight         1938.82
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_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                93.1090(10)
_cell_angle_beta                 94.3650(10)
_cell_angle_gamma                90.9940(10)
_cell_formula_units_Z            2
_cell_length_a                   10.6970(8)
_cell_length_b                   19.9205(15)
_cell_length_c                   21.2569(16)
_cell_measurement_temperature    173(2)
_cell_volume                     4508.8(6)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.901
_diffrn_measured_fraction_theta_max 0.901
_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  0.0214
_diffrn_reflns_av_sigmaI/netI    0.0272
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            50120
_diffrn_reflns_theta_full        28.29
_diffrn_reflns_theta_max         28.29
_diffrn_reflns_theta_min         1.91
_exptl_absorpt_coefficient_mu    0.570
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_density_diffrn    1.428
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1992
_refine_diff_density_max         2.770
_refine_diff_density_min         -1.020
_refine_diff_density_rms         0.075
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.775
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1122
_refine_ls_number_reflns         20176
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.775
_refine_ls_R_factor_all          0.0463
_refine_ls_R_factor_gt           0.0380
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0888P)^2^+10.5856P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1093
_refine_ls_wR_factor_ref         0.1178
_reflns_number_gt                17321
_reflns_number_total             20176
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3ra43335h.txt
_cod_data_source_block           in010909
_cod_original_sg_symbol_H-M      P(-1)
_cod_database_code               7239181