Information card for entry 4305038

Structure parameters

• Chemical name: (μ~3~-Nitrido)-η^12^,η^12^, η^9^-C80-Fullerene)-trithulim (2,3,7,8,12,13,17,18-octaethylporphyrinato)nickel(II) benzene disolvate
• Formula: C128 H56 N5 Ni Tm3
• Calculated formula: C128 H56 N5 Ni Tm2.9988
• 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: 25.2777 ± 0.0005 Å
• b: 15.0945 ± 0.0003 Å
• c: 19.6748 ± 0.0004 Å
• α: 90°
• β: 95.483 ± 0.002°
• γ: 90°
• Cell volume: 7472.7 ± 0.3 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0691
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.1529
• Weighted residual factors for all reflections included in the refinement: 0.1604
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No