Photophysical properties and in vitro cytotoxicity studies of new Ru(ii) carbonyl complexes and mixed geometrical Ru(ii)–Ni(ii) complex in HS-DNA/BSA protein and human lung (A549) and liver (HepG2) cells
Kalaivani, P.; Prabhakaran, R.; Dallemer, F.; Natarajan, K.; RSC Adv. 4 (2014) 51850–; doi:10.1039/C4RA08492F

data_7218587
_publ_section_title
;
 Photophysical properties and in vitro cytotoxicity studies of new Ru(ii)
 carbonyl complexes and mixed geometrical Ru(ii)--Ni(ii) complex in
 HS-DNA/BSA protein and human lung (A549) and liver (HepG2) cells
;
_journal_issue                   94
_journal_name_full               'RSC Adv.'
_journal_page_first              51850
_journal_paper_doi               10.1039/C4RA08492F
_journal_volume                  4
_journal_year                    2014
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety         'C50 H42 Cl3 N3 O2 P2 Ru1 S1'
_chemical_formula_sum            'C50 H42 Cl3 N3 O2 P2 Ru S'
_chemical_formula_weight         1018.29
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.4
_audit_creation_date             2010-03-22T11:11:18-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 96.112(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.3713(2)
_cell_length_b                   16.5083(3)
_cell_length_c                   19.6494(3)
_cell_measurement_reflns_used    40219
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.24
_cell_measurement_theta_min      1.61
_cell_measurement_wavelength     0.71073
_cell_volume                     4635.24(13)
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.952
_diffrn_measured_fraction_theta_max 0.952
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       'Omega + Phi scan'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.068
_diffrn_reflns_av_unetI/netI     0.099
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            40219
_diffrn_reflns_reduction_process
;
 Scaled and merged with Sortav
 R.H. Blessing, (1987) Cryst. Rev. 1, 3-58
 R.H. Blessing, (1989) J. Appl. Cryst. 22, 396-397
;
_diffrn_reflns_theta_full        28.24
_diffrn_reflns_theta_max         28.24
_diffrn_reflns_theta_min         1.61
_diffrn_standards_number         none
_exptl_absorpt_coefficient_mu    0.669
_exptl_absorpt_correction_T_max  1.003
_exptl_absorpt_correction_T_min  1.003
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
 R.H. Blessing, Acta Cryst. (1995), A51, 33-38
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.459
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2080
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.16
_refine_diff_density_max         0.708
_refine_diff_density_min         -0.644
_refine_diff_density_rms         0.078
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     568
_refine_ls_number_reflns         10902
_refine_ls_number_restraints     7
_refine_ls_restrained_S_all      1.04
_refine_ls_R_factor_all          0.0995
_refine_ls_R_factor_gt           0.0506
_refine_ls_shift/su_max          0.00
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0481P)^2^+0.3015P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1051
_refine_ls_wR_factor_ref         0.1189
_reflns_number_gt                7082
_reflns_number_total             10902
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4ra08492f2.cif
_cod_data_source_block           rupl6-1
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7218587