Information card for entry 4336292

Structure parameters

• Chemical name: 1,3-dichloro-2,4-di(adamantylamino)-cyclo-1,3-diphospha-2,4-diazane
• Formula: C20 H30 Cl2 N2 P2
• Calculated formula: C20 H30 Cl2 N2 P2
• SMILES: P1(N(C23CC4CC(CC(C2)C4)C3)P(Cl)N1C12CC3CC(CC(C1)C3)C2)Cl
• Title of publication: Synthesis of 1,3-Dichloro-cyclo-1,3-diphosphadiazanes from Silylated Amino(dichloro)phosphanes
• Authors of publication: Axel Schulz; Alexander Villinger; Andrea Westenkirchner
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 11457 - 11468
• a: 14.3494 ± 0.0007 Å
• b: 11.8705 ± 0.0006 Å
• c: 12.7844 ± 0.0007 Å
• α: 90°
• β: 110.751 ± 0.003°
• γ: 90°
• Cell volume: 2036.36 ± 0.19 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1092
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.0944
• Weighted residual factors for all reflections included in the refinement: 0.1093
• Goodness-of-fit parameter for all reflections included in the refinement: 0.938
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No