Information card for entry 4301662

Structure parameters

• Formula: C37 H50 Cl6 F6 N3 P Rh Sb
• Calculated formula: C35 H46 Cl2 F6 N3 P Rh Sb
• 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: 8.9106 ± 0.0003 Å
• b: 14.7367 ± 0.0004 Å
• c: 30.8857 ± 0.0009 Å
• α: 90°
• β: 95.887 ± 0.002°
• γ: 90°
• Cell volume: 4034.3 ± 0.2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 8
• 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: 0.1167
• Residual factor for significantly intense reflections: 0.083
• Weighted residual factors for significantly intense reflections: 0.1891
• Weighted residual factors for all reflections included in the refinement: 0.2031
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No