Information card for entry 4309899

Structure parameters

• Formula: C21 H45 N4 P Si
• Calculated formula: C21 H45 N4 P Si
• SMILES: P(NC1CCCCC1)(NC1CCCCC1)(NC1CCCCC1)=N[Si](C)(C)C
• Title of publication: Cubic and Spirocyclic Radicals Containing a Tetraimidophosphate Dianion [P(NR)3(NR')].2-
• Authors of publication: Andrea F. Armstrong; Tristram Chivers; Heikki M. Tuononen; Masood Parvez; René T. Boeré
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 7981 - 7991
• a: 10.5001 ± 0.0003 Å
• b: 22.8914 ± 0.0007 Å
• c: 20.9785 ± 0.0005 Å
• α: 90°
• β: 101.76 ± 0.0013°
• γ: 90°
• Cell volume: 4936.6 ± 0.2 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1289
• Residual factor for significantly intense reflections: 0.0634
• Weighted residual factors for significantly intense reflections: 0.1519
• Weighted residual factors for all reflections included in the refinement: 0.1864
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No