Physical properties and cytotoxicity of Cu(ii) and Zn(ii) complexes with a TMS-substituted indolo[2,3-c]quinoline-derived Schiff base
Wittmann, Christopher; Besleaga, Iuliana; Mahmoudi, Soheil; Palamarciuc, Oleg; Balan-Porcarasu, Mihaela; Dascalu, Mihaela; Shova, Sergiu; Cazacu, Maria; Kiricsi, Mónika; Igaz, Nóra; Dömötör, Orsolya; Enyedy, Eva A.; Dvoranová, Dana; Rapta, Peter; Arion, Vladimir B.; Dalton Transactions 54 (2025) 7882–7898; doi:10.1039/D5DT00314H

data_7718475
_publ_section_title
;
 Physical properties and cytotoxicity of Cu(ii) and Zn(ii) complexes with
 a TMS-substituted indolo[2,3-c]quinoline-derived Schiff base
;
_journal_issue                   19
_journal_name_full               'Dalton Transactions'
_journal_page_first              7882
_journal_page_last               7898
_journal_paper_doi               10.1039/D5DT00314H
_journal_volume                  54
_journal_year                    2025
_chemical_formula_sum            'C25 H25 Cl2 N5 Si Zn'
_chemical_formula_weight         559.86
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_audit_creation_method
;FinalCif V136 by Daniel Kratzert, Freiburg 2024, 
https://dkratzert.de/finalcif.html
;
_audit_update_record
;
2024-08-29 deposited with the CCDC.	2025-04-02 downloaded from the CCDC.
;
_cell_angle_alpha                72.75(3)
_cell_angle_beta                 81.99(3)
_cell_angle_gamma                85.37(3)
_cell_formula_units_Z            2
_cell_length_a                   7.2600(14)
_cell_length_b                   12.210(2)
_cell_length_c                   15.930(3)
_cell_measurement_reflns_used    27339
_cell_measurement_temperature    294(2)
_cell_measurement_theta_max      0.921
_cell_measurement_theta_min      0.048
_cell_volume                     1334.3(5)
_computing_cell_refinement       'XDS VERSION Apr 30, 2023  BUILT=20230630'
_computing_data_collection       'XDS VERSION Apr 30, 2023  BUILT=20230630'
_computing_data_reduction        'XDS VERSION Apr 30, 2023  BUILT=20230630'
_computing_molecular_graphics
'  SHELXLE (Huebschle et al., 2011)  PLATON (Spek, 2009)'
_computing_structure_refinement  SHELXL-2018/3
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_environment      vacuum
_diffrn_ambient_temperature      294(2)
_diffrn_detector                 'hybrid pixel area detector'
_diffrn_detector_area_resol_mean 13.333
_diffrn_detector_dtime           20
_diffrn_detector_type            SINGLA
_diffrn_measured_fraction_theta_full 0.940
_diffrn_measured_fraction_theta_max 0.941
_diffrn_measurement_device_type  'single axis tomography holder'
_diffrn_measurement_method       'profile fitting'
_diffrn_radiation_probe          electron
_diffrn_radiation_type           electron
_diffrn_radiation_wavelength     0.02508
_diffrn_reflns_av_R_equivalents  0.2171
_diffrn_reflns_av_unetI/netI     0.1433
_diffrn_reflns_Laue_measured_fraction_full 0.940
_diffrn_reflns_Laue_measured_fraction_max 0.941
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            41274
_diffrn_reflns_point_group_measured_fraction_full 0.940
_diffrn_reflns_point_group_measured_fraction_max 0.941
_diffrn_reflns_theta_full        0.862
_diffrn_reflns_theta_max         0.921
_diffrn_reflns_theta_min         0.048
_diffrn_source                   'tansmission electron microscope, LaB6'
_diffrn_source_type              'JEOL JEM2100Plus'
_diffrn_source_voltage           200
_exptl_absorpt_coefficient_mu    0.000
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'Kabsch (2010) DOI 10.1107/S0907444909047374'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.393
_exptl_crystal_description       block
_exptl_crystal_F_000             217
_refine_diff_density_max         0.247
_refine_diff_density_min         -0.345
_refine_diff_density_rms         0.102
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.416
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     310
_refine_ls_number_reflns         5548
_refine_ls_number_restraints     534
_refine_ls_restrained_S_all      1.382
_refine_ls_R_factor_all          0.2500
_refine_ls_R_factor_gt           0.2068
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.2000P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.4475
_refine_ls_wR_factor_ref         0.4689
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3262
_reflns_number_total             5548
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d5dt00314h2.cif
_cod_data_source_block           chwi1157_a
_cod_depositor_comments
'Adding full bibliography for 7718475--7718477.cif.'
_cod_database_code               7718475
_shelx_shelxl_version_number     2019/3
_shelx_res_checksum              47205
_shelx_hkl_checksum              32812