Information card for entry 4301659

Structure parameters

• Formula: C25 H28 F9 N3 P Sb
• Calculated formula: C25 H28 F9 N3 P Sb
• SMILES: P1(C[NH2+]Cc2ccc(cc2)F)CN(CN(C1)Cc1ccc(cc1)F)Cc1ccc(cc1)F.[Sb](F)(F)(F)(F)([F-])F
• Title of publication: Intramolecular Hydrogen-Bonded Tertiary Phosphines as 1,3,5-Triaza-7-phosphaadamantane (PTA) Analogues
• Authors of publication: Allen T. Ekubo; Mark R. J. Elsegood; Andrew J. Lake; Martin B. Smith
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 2633 - 2638
• a: 8.5038 ± 0.0012 Å
• b: 8.8389 ± 0.0013 Å
• c: 19.082 ± 0.0003 Å
• α: 77.019 ± 0.002°
• β: 78.879 ± 0.002°
• γ: 84.88 ± 0.002°
• Cell volume: 1369.8 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0318
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.0641
• Weighted residual factors for all reflections included in the refinement: 0.0675
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No