Information card for entry 7006274

Structure parameters

• Common name: mu2-(eta2-buckministerfullerene)-bis((bis-(3,5- bis(trifluoromethyl)benzoato-O,O')-penta(carbonyl)-diruthenium(I,I))
• Chemical name: mu2-(eta2-buckministerfullerene)-bis((bis-(3,5-bis(trifluoromethyl)benzoato- O,O')-penta(carbonyl)-diruthenium(I,I))
• Formula: C106 H12 F24 O18 Ru4
• Calculated formula: C106 H12 F24 O18 Ru4
• Title of publication: Corannulene vs. C60-fullerene in metal binding reactions: a direct DFT and X-ray structural comparison.
• Authors of publication: Rogachev, Andrey Yu; Sevryugina, Yulia; Filatov, Alexander S.; Petrukhina, Marina A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 35
• Pages of publication: 3871 - 3873
• a: 12.028 ± 0.002 Å
• b: 12.776 ± 0.002 Å
• c: 12.91 ± 0.002 Å
• α: 92.547 ± 0.004°
• β: 93.241 ± 0.004°
• γ: 100.246 ± 0.004°
• Cell volume: 1946.1 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.3325
• Residual factor for significantly intense reflections: 0.1316
• Weighted residual factors for significantly intense reflections: 0.205
• Weighted residual factors for all reflections included in the refinement: 0.3107
• Goodness-of-fit parameter for all reflections included in the refinement: 0.93
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No