Information card for entry 7102591

Structure parameters

• Formula: C12 H20 N2 O8
• Calculated formula: C12 H8 N2 O8
• Title of publication: Solid-state versus solution preparation of two crystal forms of [HN(CH2CH2)3NH][OOC(CH2)COOH]2. Polymorphs or hydrogen bond isomers?
• Authors of publication: Braga, Dario; Maini, Lucia
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2004
• Journal issue: 8
• Pages of publication: 976 - 977
• a: 8.946 ± 0.002 Å
• b: 12.144 ± 0.002 Å
• c: 6.584 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 715.3 ± 0.2 ų
• Cell temperature: 214 ± 2 K
• Ambient diffraction temperature: 214 ± 2 K
• Number of distinct elements: 4
• Space group number: 53
• Hermann-Mauguin space group symbol: P n c m
• Hall space group symbol: -P 2 2bc
• Residual factor for all reflections: 0.0931
• Residual factor for significantly intense reflections: 0.0802
• Weighted residual factors for significantly intense reflections: 0.2285
• Weighted residual factors for all reflections included in the refinement: 0.2428
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No