Information card for entry 7048835

Structure parameters

• Formula: C54 H47 Cl N2 P4 Ru S
• Calculated formula: C54 H47 Cl N2 P4 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: 21.538 ± 0.001 Å
• b: 11.555 ± 0.001 Å
• c: 22.094 ± 0.001 Å
• α: 90°
• β: 110.008 ± 0.004°
• γ: 90°
• Cell volume: 5166.7 ± 0.6 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: 0.1182
• Residual factor for significantly intense reflections: 0.0696
• Weighted residual factors for significantly intense reflections: 0.1698
• Weighted residual factors for all reflections included in the refinement: 0.1939
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No