Information card for entry 2312078

Structure parameters

• Common name: Piperazine-1,4-diium bis(nitrosocarbamoylcyanomethanide)
• Chemical name: Piperazine-1,4-diium bis(nitrosocarbamoylcyanomethanide)
• Formula: C10 H16 N8 O4
• Calculated formula: C10 H16 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: 14.5686 ± 0.0007 Å
• b: 7.1704 ± 0.0004 Å
• c: 13.9658 ± 0.0006 Å
• α: 90°
• β: 104.209 ± 0.003°
• γ: 90°
• Cell volume: 1414.27 ± 0.12 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0717
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1203
• Weighted residual factors for all reflections included in the refinement: 0.1327
• 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