Information card for entry 7251885

Structure parameters

• Formula: C46 H42.6 Br F6 N2 O2.3 P3 Ru
• Calculated formula: C46 H42 Br F6 N2 O2 P3 Ru
• Title of publication: Para-substituted benzoic acid ruthenium(ii) complexes: structural features modulating cytotoxicity
• Authors of publication: Dutra, Jocely L.; Marcon, Pedro H. S.; Moselli, Gustavo; Niquini, Fabiano M.; da Costa, João Victor F.; Moraes, Carlos André F.; Braga, Ataualpa A. C.; Ellena, Javier; Batista, Alzir A.; de Araujo-Neto, João Honorato
• Journal of publication: RSC Advances
• Year of publication: 2026
• Journal volume: 16
• Journal issue: 22
• Pages of publication: 19763 - 19778
• a: 15.7262 ± 0.0001 Å
• b: 14.8624 ± 0.0001 Å
• c: 19.3587 ± 0.0001 Å
• α: 90°
• β: 99.52 ± 0.001°
• γ: 90°
• Cell volume: 4462.38 ± 0.05 ų
• Cell temperature: 100.1 ± 0.3 K
• Ambient diffraction temperature: 100.1 ± 0.3 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0476
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1313
• Weighted residual factors for all reflections included in the refinement: 0.1329
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0542
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No