Information card for entry 4103756

Structure parameters

• Common name: (ethylNH3)2og.2H2O
• Formula: C10 H26 N4 O8
• Calculated formula: C10 H26 N4 O8
• SMILES: C(=O)(C(=O)NCC(=O)[O-])NCC(=O)[O-].[NH3+]CC.O.C(C)[NH3+].O
• Title of publication: Weak Interactions Dominating the Supramolecular Self-Assembly in a Salt: A Designed Single-Crystal-to-Single-Crystal Topochemical Polymerization of a Terminal Aryldiacetylene
• Authors of publication: Zhong Li; Frank W. Fowler; Joseph W. Lauher
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 634 - 643
• a: 8.969 ± 0.002 Å
• b: 7.779 ± 0.002 Å
• c: 11.803 ± 0.003 Å
• α: 90°
• β: 95.522 ± 0.004°
• γ: 90°
• Cell volume: 819.7 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.124
• Residual factor for significantly intense reflections: 0.0899
• Weighted residual factors for significantly intense reflections: 0.2419
• Weighted residual factors for all reflections included in the refinement: 0.1905
• Goodness-of-fit parameter for all reflections included in the refinement: 0.973
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No