Information card for entry 4319339

Structure parameters

• Formula: C57 H45 N6 P3
• Calculated formula: C57 H45 N6 P3
• SMILES: n1c(nc(nc1N=P(c1ccccc1)(c1ccccc1)c1ccccc1)N=P(c1ccccc1)(c1ccccc1)c1ccccc1)N=P(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Reaction of 2,4,6-Triazido-1,3,5-triazine with Triphenylphosphane. Syntheses and Characterization of the Novel 2-Triphenylphosphanimino-4-azidotetrazolo[5,1-a]-[1,3,5]triazine and 2,4,6-Tris(triphenylphosphanimino)-1,3,5-triazine
• Authors of publication: Elmar Kessenich; Kurt Polborn; Axel Schulz
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 1102 - 1109
• a: 14.705 ± 0.003 Å
• b: 17.705 ± 0.004 Å
• c: 21.528 ± 0.003 Å
• α: 108.99 ± 0.015°
• β: 91.612 ± 0.013°
• γ: 111.66 ± 0.02°
• Cell volume: 4855 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0968
• Residual factor for significantly intense reflections: 0.0636
• Weighted residual factors for all reflections: 0.1637
• Weighted residual factors for significantly intense reflections: 0.1434
• Goodness-of-fit parameter for all reflections: 1.026
• Goodness-of-fit parameter for significantly intense reflections: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No