Information card for entry 4305037

Structure parameters

• Common name: Tm3N@C80(Ih isomer).Ni(OEP).2benzene
• Formula: C128 H56 N5 Ni Tm3
• Calculated formula: C128 H56 N5 Ni Tm3
• Title of publication: Preparation and Structural Characterization of the Ih and the D5h Isomers of the Endohedral Fullerenes Tm3N@C80: Icosahedral C80 Cage Encapsulation of a Trimetallic Nitride Magnetic Cluster with Three Uncoupled Tm3+ Ions
• Authors of publication: Tianming Zuo; Marilyn M. Olmstead; Christine M. Beavers; Alan L. Balch; Guangbin Wang; Gordon T. Yee; Chunying Shu; Liaosa Xu; Bevan Elliott; Luis Echegoyen; James C. Duchamp; Harry C. Dorn
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 5234 - 5244
• a: 44.8763 ± 0.0016 Å
• b: 15.051 ± 0.0005 Å
• c: 25.3167 ± 0.0009 Å
• α: 90°
• β: 118.993 ± 0.004°
• γ: 90°
• Cell volume: 14956.8 ± 1.1 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0954
• Residual factor for significantly intense reflections: 0.0665
• Weighted residual factors for significantly intense reflections: 0.1433
• Weighted residual factors for all reflections included in the refinement: 0.1561
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No