Information card for entry 4065470

Structure parameters

• Chemical name: 3,7-Diallyl-3-diaza-7-diazonium-bicyclo[3.3.1]nonane(N,N'-Diallyl-bispidine) hexafluorophosphate
• Formula: C13 H23 F6 N2 P
• Calculated formula: C13 H23 F6 N2 P
• SMILES: [P](F)(F)(F)(F)(F)[F-].[NH+]1(C[C@H]2CN(C[C@@H](C1)C2)CC=C)CC=C
• Title of publication: Synthesis and Coordination Chemistry ofN,N-Diallylbispidine
• Authors of publication: Cui, Huiling; Goddard, Richard; Pörschke, Klaus-Richard
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 22
• Pages of publication: 6241
• a: 8.3476 ± 0.0002 Å
• b: 16.445 ± 0.001 Å
• c: 11.7254 ± 0.0006 Å
• α: 90°
• β: 96.668 ± 0.003°
• γ: 90°
• Cell volume: 1598.73 ± 0.13 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.042
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0836
• Weighted residual factors for all reflections included in the refinement: 0.0897
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No