Information card for entry 4312277

Structure parameters

• Common name: [DmpNPCl]2
• Formula: C16 H18 Cl2 N2 P2
• Calculated formula: C16 H18 Cl2 N2 P2
• SMILES: ClP1N(c2c(cccc2C)C)P(Cl)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: 11.285 ± 0.0007 Å
• b: 11.2343 ± 0.0007 Å
• c: 14.3926 ± 0.0008 Å
• α: 90°
• β: 105.652 ± 0.001°
• γ: 90°
• Cell volume: 1757.02 ± 0.18 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: 0.0645
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.135
• Weighted residual factors for all reflections included in the refinement: 0.1391
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No