Information card for entry 4501412

Structure parameters

• Formula: C3 O7
• Calculated formula: C3 O7
• Title of publication: Structure Determination from Powder X-ray Diffraction Data of a New Polymorph of a High-Density Organic Hydrate Material, with an Assessment of Hydrogen-Bond Disorder by Rietveld Refinement
• Authors of publication: Lim, Gin Keat; Fujii, Kotaro; Harris, Kenneth D. M.; Apperley, David C.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 12
• Pages of publication: 5192
• a: 8.89282 ± 0.00013 Å
• b: 9.74543 ± 0.00016 Å
• c: 6.8513 ± 0.0001 Å
• α: 107.106 ± 0.001°
• β: 108.351 ± 0.0009°
• γ: 85.6751 ± 0.0009°
• Cell volume: 538.54 ± 0.015 ų
• Number of distinct elements: 2
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Method of determination: powder diffraction
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No