Information card for entry 7010927

Structure parameters

• Formula: C29 H28 O6 Rh4
• Calculated formula: C29 H28 O6 Rh4
• SMILES: [Rh]12345678([Rh]9%10%11%12%13%14([Rh]%15%16%171([Rh]129([CH]2=C[CH]%16=[CH]%15[CH]%12=[CH]%11[CH]%10=[CH]12)(C#[O])([C]7%14=O)[C]8%17=O)(C#[O])[C]6%13=O)C#[O])[CH]1=[CH]3CC[CH]4=[CH]5CC1.c1(ccccc1)C
• 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: 8.2841 ± 0.0004 Å
• b: 10.4702 ± 0.0005 Å
• c: 17.0483 ± 0.0008 Å
• α: 80.431 ± 0.001°
• β: 80.432 ± 0.001°
• γ: 70.294 ± 0.001°
• Cell volume: 1363.04 ± 0.11 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190 ± 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: 0.0486
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0612
• Weighted residual factors for all reflections included in the refinement: 0.0687
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No