Information card for entry 7030341

Structure parameters

• Chemical name: RuC60Me5C5H4COMe
• Formula: C72.5 H22 O Ru S
• Calculated formula: C72.5 H22 O Ru S
• Title of publication: Friedel-Crafts functionalization of the cyclopentadienyl ligand in buckymetallocenes.
• Authors of publication: Matsuo, Yutaka; Kuninobu, Yoichiro; Ito, Shingo; Sawamura, Masaya; Nakamura, Eiichi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 20
• Pages of publication: 7407 - 7412
• a: 11.712 ± 0.0004 Å
• b: 16.744 ± 0.0004 Å
• c: 20.564 ± 0.0008 Å
• α: 90°
• β: 94.978 ± 0.002°
• γ: 90°
• Cell volume: 4017.5 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• 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: 0.1112
• Residual factor for significantly intense reflections: 0.0966
• Weighted residual factors for significantly intense reflections: 0.2503
• Weighted residual factors for all reflections included in the refinement: 0.2902
• Goodness-of-fit parameter for all reflections included in the refinement: 1.32
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No