Information card for entry 2312080

Structure parameters

• Common name: Hexane-1,6-diammonium bis(nitrosocarbamoylcyanomethanide)
• Chemical name: Hexane-1,6-bis(aminium) bis(nitrosocarbamoylcyanomethanide)
• Formula: C12 H22 N8 O4
• Calculated formula: C12 H22 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: 4.6121 ± 0.0002 Å
• b: 16.8608 ± 0.0007 Å
• c: 10.7931 ± 0.0007 Å
• α: 90°
• β: 93.853 ± 0.003°
• γ: 90°
• Cell volume: 837.41 ± 0.07 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0743
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1092
• Weighted residual factors for all reflections included in the refinement: 0.1211
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes