Information card for entry 4121504

Structure parameters

• Common name: Bis-cyclopentadienylruthenium dicarbonyl[C60]fullerene
• Formula: C74 H10 O4 Ru2
• Calculated formula: C74 H10 O4 Ru2
• Title of publication: Preparation and Crystallographic Characterization of C60{η(1)-Ru(CO)2(η(5)-C5H5)}2: A Locally Crowded Organometallic Fullerene Without the Usual η(2)-Bonding.
• Authors of publication: Bowles, Faye L.; Olmstead, Marilyn M.; Balch, Alan L.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 9
• Pages of publication: 3338 - 3341
• a: 15.408 ± 0.003 Å
• b: 13.224 ± 0.003 Å
• c: 20.014 ± 0.004 Å
• α: 90°
• β: 104.28 ± 0.03°
• γ: 90°
• Cell volume: 3952 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0562
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1545
• Weighted residual factors for all reflections included in the refinement: 0.1581
• Goodness-of-fit parameter for all reflections included in the refinement: 1.148
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No