Information card for entry 4312278

Structure parameters

• Common name: [DmpNPCl]3
• Formula: C30 H33 Cl3 N3 P3
• Calculated formula: C30 H33 Cl3 N3 P3
• SMILES: Clp1n(p(Cl)n(p(Cl)n1c1c(cccc1C)C)c1c(cccc1C)C)c1c(cccc1C)C.c1ccccc1
• 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: 8.658 ± 0.001 Å
• b: 30.316 ± 0.003 Å
• c: 11.7922 ± 0.0014 Å
• α: 90°
• β: 96.593 ± 0.002°
• γ: 90°
• Cell volume: 3074.7 ± 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: 0.0495
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1144
• Weighted residual factors for all reflections included in the refinement: 0.1183
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No