Information card for entry 7048836

Structure parameters

• Formula: C56 H51 F6 N2 P5 Ru S
• Calculated formula: C56 H51 F6 N2 P5 Ru S
• Title of publication: In vitro cytotoxicity and in vivo zebrafish toxicity evaluation of Ru(ii)/2-mercaptopyrimidine complexes.
• Authors of publication: Velozo-Sá, Vivianne S; Pereira, Luciano R.; Lima, Aliny P.; Mello-Andrade, Francyelli; Rezende, Manuela R. M.; Goveia, Rebeca M.; Pires, Wanessa C.; Silva, Monize M.; Oliveira, Katia M.; Ferreira, Antonio G.; Ellena, Javier; Deflon, Victor M.; Grisolia, Cesar Koppe; Batista, Alzir A.; Silveira-Lacerda, Elisângela P
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 18
• Pages of publication: 6026 - 6039
• a: 13.979 ± 0.0004 Å
• b: 20.091 ± 0.001 Å
• c: 21.149 ± 0.001 Å
• α: 90°
• β: 92.913 ± 0.002°
• γ: 90°
• Cell volume: 5932.1 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.1495
• Residual factor for significantly intense reflections: 0.1189
• Weighted residual factors for significantly intense reflections: 0.3187
• Weighted residual factors for all reflections included in the refinement: 0.3326
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No