Information card for entry 7038970

Structure parameters

• Formula: C38 H67 Cl2 O4 P5 Ru
• Calculated formula: C38 H67 Cl2 O4 P5 Ru
• Title of publication: Optically active P5-deltacyclenes: selective oxidation, ligand properties, and a diastereoselective rearrangement reaction.
• Authors of publication: Keller, I. C.; Bauer, W.; Heinemann, F. W.; Höhn, C; Rohwer, L.; Zenneck, U.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 17
• Pages of publication: 7267 - 7277
• a: 10.806 ± 0.0002 Å
• b: 15.2568 ± 0.0002 Å
• c: 15.4858 ± 0.0002 Å
• α: 100.299 ± 0.001°
• β: 108.044 ± 0.001°
• γ: 109.148 ± 0.001°
• Cell volume: 2178.61 ± 0.06 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200.15 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: 0.0573
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0918
• Weighted residual factors for all reflections included in the refinement: 0.1037
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No