Information card for entry 2200979

Structure parameters

• Chemical name: Cloro(1,5-Cyclooctadiene)Triphenylphosphiterhodium(I)
• Formula: C26 H27 Cl P Rh
• Calculated formula: C26 H27 Cl P Rh
• SMILES: [Rh]123([CH]4=[CH]1CC[CH]2=[CH]3CC4)(Cl)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Chloro(1,5-cyclooctadiene)(triphenylphosphine)rhodium(I)
• Authors of publication: Horn, Qingyi L.; Jones, Daniel S.; Evans, Robin N.; Ogle, Craig A.; Masterman, T. Craig
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 2
• Pages of publication: m51 - m52
• a: 16.246 ± 0.003 Å
• b: 8.145 ± 0.002 Å
• c: 16.992 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2248.4 ± 0.9 ų
• Cell temperature: 296 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for all reflections included in the refinement: 0.046
• Goodness-of-fit parameter for all reflections included in the refinement: 2.18
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No