Information card for entry 4319340

Structure parameters

• Formula: C44 H34 Cl2 N20 P2
• Calculated formula: C44 H34 Cl2 N20 P2
• 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: 42.059 ± 0.006 Å
• b: 13.916 ± 0.004 Å
• c: 15.995 ± 0.004 Å
• α: 90 ± 0.03°
• β: 101.77 ± 0.02°
• γ: 90 ± 0.02°
• Cell volume: 9165 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1293
• Residual factor for significantly intense reflections: 0.0758
• Weighted residual factors for all reflections: 0.1946
• Weighted residual factors for significantly intense reflections: 0.1632
• Goodness-of-fit parameter for all reflections: 1.016
• Goodness-of-fit parameter for significantly intense reflections: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No