Information card for entry 7010924

Structure parameters

• Formula: C22 H16 O6 Rh4
• Calculated formula: C22 H16 O6 Rh4
• SMILES: [Rh]12345678([Rh]9%10%11%12%13([Rh]%14%15%161([Rh]1%1729([CH]2=[CH]%15[CH]%14=C[CH]%11=[CH]%10[CH]%17=[CH]12)(C#[O])([C]7%16=O)[C]8%13=O)(C#[O])[C]6%12=O)C#[O])[CH]1=[CH]3C=C[CH]4=[CH]5C=C1
• Title of publication: Tetranuclear rhodium clusters with facial cyclooctatetraene ligands
• Authors of publication: Wadepohl, Hubert; Merkel, Rüdiger; Pritzkow, Hans; Rihm, Sven
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 24
• Pages of publication: 3617 - 3626
• a: 8.889 ± 0.004 Å
• b: 9.195 ± 0.005 Å
• c: 13.7 ± 0.007 Å
• α: 81.04 ± 0.03°
• β: 78.7 ± 0.03°
• γ: 74.22 ± 0.03°
• Cell volume: 1050.4 ± 0.9 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0562
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0808
• Weighted residual factors for all reflections included in the refinement: 0.0876
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No