Information card for entry 2312077

Structure parameters

• Common name: 1,2-Ethanediammonium bis(nitrosocarbamoylcyanomethanide)
• Chemical name: Ethane-1,2-bis(aminium) bis(nitrosocarbamoylcyanomethanide)
• Formula: C8 H14 N8 O4
• Calculated formula: C8 H14 N8 O4
• Title of publication: Gradual evolution of hydrogen-bonding patterns with the carbamoylcyanonitrosomethanide anion in a series of aliphatic diammonium salts.
• Authors of publication: Domasevitch, Kostiantyn V.; Senchyk, Ganna A.; Lysenko, Andrey B.; Rusanov, Eduard B.
• Journal of publication: Acta crystallographica. Section C, Structural chemistry
• Year of publication: 2023
• Journal volume: 79
• Journal issue: Pt 5
• Pages of publication: 177 - 185
• a: 7.1203 ± 0.0008 Å
• b: 7.2221 ± 0.001 Å
• c: 7.3808 ± 0.0009 Å
• α: 96.813 ± 0.008°
• β: 106.031 ± 0.007°
• γ: 114.329 ± 0.008°
• Cell volume: 320.47 ± 0.08 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0598
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.1244
• Weighted residual factors for all reflections included in the refinement: 0.1362
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes