New ruthenium(II) complexes with cyclic thio- and semicarbazone: evaluation of cytotoxicity and effects on cell migration and apoptosis of lung cancer cells.
Gonçalves, Yasmim G; Becceneri, Amanda B.; Graminha, Angelica E.; Miranda, Victor M.; Rios, Rafaella R.; Rinaldi-Neto, Francisco; Costa, Mônica S; Gonçalves, Ana C R; Deflon, Victor M.; Yoneyama, Kelly A. G.; Maia, Pedro I. S.; Franca, Eduardo F.; Cominetti, Márcia R; Silva, Roberto S.; Von Poelhsitz, Gustavo; Dalton transactions (Cambridge, England : 2003)  (2023) –; doi:10.1039/d3dt00750b

data_7713313
_publ_section_title
;
 New ruthenium(II) complexes with cyclic thio- and semicarbazone:
 evaluation of cytotoxicity and effects on cell migration and apoptosis of
 lung cancer cells.
;
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_paper_doi               10.1039/d3dt00750b
_journal_year                    2023
_chemical_formula_moiety         'C65 H54 N3 P4 Ru S, F6 P, 0.5(C H2 Cl2)'
_chemical_formula_sum            'C65.5 H55 Cl F6 N3 P5 Ru S'
_chemical_formula_weight         1321.55
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2016/4
_audit_update_record
;
2023-05-08 deposited with the CCDC.	2023-06-12 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 104.824(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   20.283(2)
_cell_length_b                   11.3236(11)
_cell_length_c                   29.017(3)
_cell_measurement_reflns_used    9915
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      21.13
_cell_measurement_theta_min      2.21
_cell_volume                     6442.7(11)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-2016/4 (Sheldrick, 2016)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0928
_diffrn_reflns_av_unetI/netI     0.0490
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_limit_l_min       -36
_diffrn_reflns_number            159105
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.365
_diffrn_reflns_theta_min         1.452
_exptl_absorpt_coefficient_mu    0.500
_exptl_absorpt_correction_T_max  0.7404
_exptl_absorpt_correction_T_min  0.7091
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.362
_exptl_crystal_description       Plate
_exptl_crystal_F_000             2700
_exptl_crystal_size_max          0.330
_exptl_crystal_size_mid          0.110
_exptl_crystal_size_min          0.020
_refine_diff_density_max         0.437
_refine_diff_density_min         -0.701
_refine_diff_density_rms         0.070
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.017
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     856
_refine_ls_number_reflns         13109
_refine_ls_number_restraints     155
_refine_ls_restrained_S_all      1.017
_refine_ls_R_factor_all          0.0803
_refine_ls_R_factor_gt           0.0505
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0472P)^2^+8.9069P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1116
_refine_ls_wR_factor_ref         0.1278
_reflns_Friedel_coverage         0.000
_reflns_number_gt                9365
_reflns_number_total             13109
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d3dt00750b2.cif
_cod_data_source_block           1
_cod_original_cell_volume        6442.7(12)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C65.50 H55 Cl F6 N3 P5 Ru S'
_cod_database_code               7713313
_shelx_shelxl_version_number     2016/4
_shelx_estimated_absorpt_t_min   0.852
_shelx_estimated_absorpt_t_max   0.990
_shelx_res_checksum              61608