Information card for entry 8106725

Structure parameters

• Formula: C21.5 H64 N19 O10.5
• Calculated formula: C21.5 H64 N19 O10.5
• Title of publication: Crystal structure of dodecaguanidinium bis(tetrapropylammonium) heptacarbonate, C43H128N38O21
• Authors of publication: Zhu, Xin; Liu, Xianghua
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2017
• Journal volume: 232
• Journal issue: 6
• Pages of publication: 931 - 933
• a: 19.556 ± 0.004 Å
• b: 20.105 ± 0.004 Å
• c: 20.573 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8089 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1397
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.0932
• Weighted residual factors for all reflections included in the refinement: 0.1028
• Goodness-of-fit parameter for all reflections included in the refinement: 0.936
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No