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_7719305
_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 H8 Cl2 N2 O6 Ru, C6 H6 N O3, 2(C2 H6 O)'
_chemical_formula_sum            'C22 H26 Cl2 N3 O11 Ru'
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_space_group_name_Hall           '-P 1'
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_atom_sites_solution_primary     direct
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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_theta_max      74.9790
_cell_measurement_theta_min      3.3300
_cell_volume                     1338.01(7)
_computing_cell_refinement       'CrysAlisPro 1.171.43.120a (Rigaku OD, 2024)'
_computing_data_collection       'CrysAlisPro 1.171.43.120a (Rigaku OD, 2024)'
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_computing_publication_material  'CIFTAB (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2019/2 (Sheldrick, 2019)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 10.0000
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.939
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_radiation_type           CuK\a
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_diffrn_reflns_av_R_equivalents  0.0412
_diffrn_reflns_av_unetI/netI     0.0390
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.939
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_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
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_diffrn_reflns_point_group_measured_fraction_full 0.998
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_diffrn_reflns_theta_max         78.040
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_diffrn_source                   'micro-focus sealed X-ray tube'
_exptl_absorpt_coefficient_mu    7.151
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.42.62a (Rigaku Oxford Diffraction, 2022)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.689
_exptl_crystal_description       plate
_exptl_crystal_F_000             690
_exptl_crystal_size_max          0.151
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_refine_diff_density_max         1.297
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_refine_diff_density_rms         0.105
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
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_refine_ls_restrained_S_all      1.065
_refine_ls_R_factor_all          0.0420
_refine_ls_R_factor_gt           0.0363
_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^)+(0.0615P)^2^+1.6738P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1004
_refine_ls_wR_factor_ref         0.1024
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5010
_reflns_number_total             5377
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d5dt01857a2.cif
_cod_data_source_block           ruohpic_a
_cod_depositor_comments
'Adding full bibliography for 7719305--7719306.cif.'
_cod_database_code               7719305
_shelx_shelxl_version_number     2019/3
_shelx_estimated_absorpt_t_min   0.411
_shelx_estimated_absorpt_t_max   0.876
_shelx_res_checksum              99705