Nanoscale ruthenium(III) complexes with bioactive ligands: structural, colloidal, and dual antimicrobial-cytotoxic investigations.
Impert, Olga; Czerniecka, Natalia; Balińska, Natalia; Kubiak, Barbara; Kozakiewicz-Piekarz, Anna; Pryshchepa, Oleksandra; Pomastowski, Paweł; Ehlert, Michalina; Witwicki, Maciej; Pateda, Yogeswara Rao; Rakovský, Erik; Katafias, Anna; van Eldik, Rudi; Dalton transactions (Cambridge, England : 2003) 54 (2025) 14304–14321; doi:10.1039/d5dt01857a

data_7719306
_publ_section_title
;
 Nanoscale ruthenium(III) complexes with bioactive ligands: structural,
 colloidal, and dual antimicrobial-cytotoxic investigations.
;
_journal_issue                   38
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              14304
_journal_page_last               14321
_journal_paper_doi               10.1039/d5dt01857a
_journal_volume                  54
_journal_year                    2025
_chemical_formula_moiety         'C12 H10 Cl4 N2 O4 Ru, 2(C3 H7 N O), C2 H8 N'
_chemical_formula_sum            'C20 H32 Cl4 N5 O6 Ru'
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_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
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_atom_sites_solution_secondary   difmap
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_audit_update_record
;
2024-11-11 deposited with the CCDC.	2025-08-18 downloaded from the CCDC.
;
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_cell_measurement_temperature    100(2)
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_computing_cell_refinement       'CrysAlisPro 1.171.43.120a (Rigaku OD, 2024)'
_computing_data_collection       'CrysAlisPro 1.171.43.120a (Rigaku OD, 2024)'
_computing_data_reduction        'CrysAlisPro 1.171.43.120a (Rigaku OD, 2024)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
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_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 10.0000
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_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0238
_diffrn_reflns_av_unetI/netI     0.0213
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.951
_diffrn_reflns_limit_h_max       32
_diffrn_reflns_limit_h_min       -40
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            10750
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.951
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_diffrn_reflns_theta_max         78.010
_diffrn_reflns_theta_min         3.409
_diffrn_source                   'micro-focus sealed X-ray tube'
_exptl_absorpt_coefficient_mu    8.242
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.42.55a (Rigaku Oxford Diffraction, 2022)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.581
_exptl_crystal_description       needle
_exptl_crystal_F_000             1388
_exptl_crystal_size_max          0.190
_exptl_crystal_size_mid          0.070
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_refine_diff_density_max         0.380
_refine_diff_density_min         -0.523
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_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     169
_refine_ls_number_reflns         2914
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.075
_refine_ls_R_factor_all          0.0210
_refine_ls_R_factor_gt           0.0203
_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^)+(0.0306P)^2^+2.7336P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0557
_refine_ls_wR_factor_ref         0.0560
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2816
_reflns_number_total             2914
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d5dt01857a2.cif
_cod_data_source_block           runicdmf_a
_cod_depositor_comments
'Adding full bibliography for 7719305--7719306.cif.'
_cod_original_cell_volume        2861.96(12)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7719306
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.303
_shelx_estimated_absorpt_t_max   0.790
_shelx_res_checksum              55601