Information card for entry 4032607

Structure parameters

• Chemical name: Catena-diaquabarbiturate lithium(I)
• Formula: C4 H7 Li N2 O5
• Calculated formula: C4 H7 Li N2 O5
• Title of publication: Polymeric Lithium(I) Diaquabarbiturate: Crystal Structure
• Authors of publication: N.N. Golovnev; M.S. Molokeev; M.K. Lesnikov; S.N. Vereshchagin
• Journal of publication: Russian Journal of Inorganic Chemistry
• Year of publication: 2017
• Journal volume: 62
• Journal issue: 6
• Pages of publication: 746 - 750
• a: 6.4306 ± 0.0007 Å
• b: 16.7199 ± 0.0014 Å
• c: 7.1732 ± 0.0008 Å
• α: 90°
• β: 108.253 ± 0.004°
• γ: 90°
• Cell volume: 732.45 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0417
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0935
• Weighted residual factors for all reflections included in the refinement: 0.0974
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No