Information card for entry 4319420

Structure parameters

• Formula: C4 H4 B2 N20
• Calculated formula: C4 H4 B2 N20
• SMILES: [B](N=N#N)(N=N#N)(N=N#N)[n]1cc[n]([B](N=N#N)(N=N#N)N=N#N)cc1
• Title of publication: Highly Energetic Tetraazidoborate Anion and Boron Triazide Adducts
• Authors of publication: Wolfgang Fraenk; Tassilo Habereder; Anton Hammerl; Thomas M. Klapötke; Burkhard Krumm; Peter Mayer; Heinrich Nöth; Marcus Warchhold
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 1334 - 1340
• a: 6.7658 ± 0.0007 Å
• b: 7.1468 ± 0.0008 Å
• c: 8.24 ± 0.0009 Å
• α: 66.586 ± 0.002°
• β: 83.475 ± 0.002°
• γ: 84.455 ± 0.002°
• Cell volume: 362.68 ± 0.07 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0439
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.1092
• Weighted residual factors for all reflections included in the refinement: 0.1131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No