Information card for entry 4123584

Structure parameters

• Chemical name: 1,4,7-triaza-9-phosphatricyclo[5.3.2.1^4,9^]tridecane
• Formula: C9 H18 N3 P
• Calculated formula: C9 H18 N3 P
• SMILES: C1N2CCN3CP1CN(CC2)CC3
• Title of publication: Water-Soluble Phosphine Capable of Dissolving Elemental Gold: The Missing Link between 1,3,5-Triaza-7-phosphaadamantane (PTA) and Verkade's Ephemeral Ligand.
• Authors of publication: Britvin, Sergey N.; Lotnyk, Andriy
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 16
• Pages of publication: 5526 - 5535
• a: 15.7917 ± 0.0002 Å
• b: 15.7917 ± 0.0002 Å
• c: 15.7917 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3938.1 ± 0.09 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 4
• Space group number: 220
• Hermann-Mauguin space group symbol: I -4 3 d
• Hall space group symbol: I -4bd 2c 3
• Residual factor for all reflections: 0.0232
• Residual factor for significantly intense reflections: 0.0224
• Weighted residual factors for significantly intense reflections: 0.0593
• Weighted residual factors for all reflections included in the refinement: 0.0597
• Goodness-of-fit parameter for all reflections included in the refinement: 1.232
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No