Information card for entry 4327934

Structure parameters

• Common name: Sc2C2@C84/2Co(OEP)
• Formula: C161.5 H90.5 Cl7.5 Co2 N8 S2 Sc2
• Calculated formula: C161.5 H90.5 Cl7.5 Co2 N8 S2 Sc1.9984
• Title of publication: X-ray Structures of Sc2C2@C2n (n= 40-42): In-Depth Understanding of the Core-Shell Interplay in Carbide Cluster Metallofullerenes
• Authors of publication: Hiroki Kurihara; Xing Lu; Yuko Iiduka; Hidefumi Nikawa; Makoto Hachiya; Naomi Mizorogi; Zdenek Slanina; Takahiro Tsuchiya; Shigeru Nagase; Takeshi Akasaka
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 746 - 750
• a: 14.7682 ± 0.0019 Å
• b: 14.815 ± 0.002 Å
• c: 26.657 ± 0.003 Å
• α: 86.286 ± 0.006°
• β: 88.601 ± 0.005°
• γ: 73.357 ± 0.006°
• Cell volume: 5576.1 ± 1.2 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0924
• Residual factor for significantly intense reflections: 0.0798
• Weighted residual factors for significantly intense reflections: 0.2162
• Weighted residual factors for all reflections included in the refinement: 0.2279
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No