Information card for entry 4123581

Structure parameters

• Chemical name: 1-aza-4,7-diazonia-9-phosphatricyclo[5.3.2.1^4,9^]tridecane dichloride
• Formula: C9 H20 Cl2 N3 P
• Calculated formula: C9 H20 Cl2 N3 P
• SMILES: P12C[NH+]3CCN(CC[NH+](CC3)C2)C1.[Cl-].[Cl-]
• 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: 6.7179 ± 0.0003 Å
• b: 13.0596 ± 0.0005 Å
• c: 14.888 ± 0.0007 Å
• α: 90°
• β: 93.141 ± 0.004°
• γ: 90°
• Cell volume: 1304.21 ± 0.1 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 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: 0.0358
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0957
• Weighted residual factors for all reflections included in the refinement: 0.0959
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No