Information card for entry 7019212

Structure parameters

• Formula: C8 H14 Ca N4 O8
• Calculated formula: C8 H14 Ca N4 O8
• Title of publication: Cation radii induced structural variation in fluorescent alkaline earth networks constructed from tautomers of a nucleobase analogue.
• Authors of publication: Deng, Zhao-Peng; Kang, Wei; Zhu, Zhi-Biao; Huo, Li-Hua; Zhao, Hui; Gao, Shan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 27
• Pages of publication: 8354 - 8360
• a: 14.347 ± 0.003 Å
• b: 14.902 ± 0.003 Å
• c: 12.099 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2586.8 ± 0.9 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 54
• Hermann-Mauguin space group symbol: P c c a
• Hall space group symbol: -P 2a 2ac
• Residual factor for all reflections: 0.0465
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0994
• Weighted residual factors for all reflections included in the refinement: 0.1038
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No