Information card for entry 7246886

Structure parameters

• Formula: C6 N16
• Calculated formula: C6 N16
• SMILES: N(=Nc1nc(N=N#N)nc2c3nnnn3c(nc12)N=N#N)#N
• Title of publication: 2,4,6,8-Tetraazidopyrimido[5,4-d]pyrimidine: a novel energetic binary compound
• Authors of publication: Leškovskis, Kristaps; Mishnev, Anatoly; Novosjolova, Irina; Krumm, Burkhard; Klapötke, Thomas M.; Turks, Māris
• Journal of publication: CrystEngComm
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 27
• Pages of publication: 3866 - 3869
• a: 12.0754 ± 0.0003 Å
• b: 10.5591 ± 0.0003 Å
• c: 8.8651 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1130.35 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 2
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0444
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.0991
• Weighted residual factors for all reflections included in the refinement: 0.1015
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No