Information card for entry 4327933

Structure parameters

• Common name: Sc2C2@C82(C3v)/Co(OEP)
• Formula: C122 H46 Cl6 Co N4 Sc2
• Calculated formula: C122 H46.001 Cl6.003 Co N4 Sc2.002
• 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: 25.0092 ± 0.0004 Å
• b: 15.4199 ± 0.0003 Å
• c: 19.3935 ± 0.0003 Å
• α: 90°
• β: 93.103 ± 0.001°
• γ: 90°
• Cell volume: 7467.9 ± 0.2 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0828
• Residual factor for significantly intense reflections: 0.0602
• Weighted residual factors for significantly intense reflections: 0.1585
• Weighted residual factors for all reflections included in the refinement: 0.1792
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No