Information card for entry 4312279

Structure parameters

• Common name: [DmpNPBr]2
• Formula: C16 H18 Br2 N2 P2
• Calculated formula: C16 H18 Br2 N2 P2
• SMILES: BrP1N(c2c(cccc2C)C)P(Br)N1c1c(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: 15.7724 ± 0.0016 Å
• b: 11.5131 ± 0.0012 Å
• c: 20.513 ± 0.002 Å
• α: 90°
• β: 104.628 ± 0.002°
• γ: 90°
• Cell volume: 3604.2 ± 0.6 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0592
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0715
• Weighted residual factors for all reflections included in the refinement: 0.078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No