Information card for entry 3000220

Structure parameters

• Formula: C6 H9 N5 O
• Calculated formula: C6 H9 N5 O
• Title of publication: Anti-diabetic and anti-parasitic properties of a family of luminescent zinc coordination compounds based on the 7-amino-5-methyl-1,2,4-triazolo[1,5-a]pyrimidine ligand
• Authors of publication: Gines M. Esteban-Parra; Eider San Sebastián; Javier Cepeda; Cristina Sánchez-González; Lorenzo Rivas; Juan Llopis; Pilar Aranda; Miguel Quirós; Antonio Rodríguez-Diéguez
• Journal of publication: Journal of Inorganic Biochemistry
• Year of publication: 2020
• Journal volume: 212
• Pages of publication: 111235
• a: 14.3058 ± 0.0009 Å
• b: 7.1686 ± 0.0004 Å
• c: 30.771 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3155.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0603
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1031
• Weighted residual factors for all reflections included in the refinement: 0.1099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes