Information card for entry 8107021

Structure parameters

• Formula: C18 H20 N6 O9
• Calculated formula: C18 H20 N6 O9
• Title of publication: Crystal structure of bis(guanidinium) 3,3′-oxybis(6-carboxybenzoate), C18H20N6O9
• Authors of publication: Wu, Xiangxiang; Liu, Xianghua
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2016
• Journal volume: 231
• Journal issue: 3
• Pages of publication: 833 - 834
• a: 7.0287 ± 0.0013 Å
• b: 10.1881 ± 0.002 Å
• c: 15.3494 ± 0.0029 Å
• α: 86.513 ± 0.003°
• β: 88.854 ± 0.003°
• γ: 75.047 ± 0.003°
• Cell volume: 1060 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0504
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1336
• Weighted residual factors for all reflections included in the refinement: 0.1409
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No