Information card for entry 4312280

Structure parameters

• Common name: [DmpNPBr]3
• Formula: C24 H27 Br3 N3 P3
• Calculated formula: C24 H27 Br3 N3 P3
• SMILES: BrP1N(P(Br)N(P(Br)N1c1c(cccc1C)C)c1c(cccc1C)C)c1c(cccc1C)C
• Title of publication: Gallium Halide Induced Heterocycle Expansion of Dihalodiphosphadiaryldiazanes [(XPNR)2] to the Corresponding Triphosphatriazanes [(XPNR)3]
• Authors of publication: Neil Burford; Korey D. Conroy; Jeff C. Landry; Paul J. Ragogna; Michael J. Ferguson; Robert McDonald
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 8245 - 8251
• a: 15.3058 ± 0.0008 Å
• b: 19.7985 ± 0.0011 Å
• c: 17.9343 ± 0.001 Å
• α: 90°
• β: 97.0275 ± 0.0009°
• γ: 90°
• Cell volume: 5393.8 ± 0.5 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0546
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.091
• Weighted residual factors for all reflections included in the refinement: 0.0998
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No