Information card for entry 7036329

Structure parameters

• Chemical name: 1-chloro-N,N-diethyl-1-(2,2,6,6-tetramethylpiperidin-1-yl)phosphanamine
• Formula: C15 H32 Cl N2 P
• Calculated formula: C15 H32 Cl N2 P
• SMILES: P(Cl)(N1C(CCCC1(C)C)(C)C)N(C(C)C)C(C)C
• Title of publication: On the energetics of P-P bond dissociation of sterically strained tetraamino-diphosphanes.
• Authors of publication: Blum, M.; Puntigam, O.; Plebst, S.; Ehret, F.; Bender, J.; Nieger, M.; Gudat, D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 5
• Pages of publication: 1987 - 1997
• a: 10.3991 ± 0.0005 Å
• b: 12.2633 ± 0.0006 Å
• c: 13.9503 ± 0.0008 Å
• α: 90°
• β: 97.325 ± 0.002°
• γ: 90°
• Cell volume: 1764.52 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0422
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0831
• Weighted residual factors for all reflections included in the refinement: 0.0893
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No