Information card for entry 4338284

Structure parameters

• Common name: TbCN@C2(5)-C82/Ni(OEP)/2benzene
• Formula: C131 H56 N5 Ni Tb
• Calculated formula: C131 H56 N5 Ni Tb1.012
• Title of publication: Putting a Terbium-Monometallic Cyanide Cluster into the C82 Fullerene Cage: TbCN@C2(5)-C82.
• Authors of publication: Liu, Fupin; Wang, Song; Guan, Jian; Wei, Tao; Zeng, Minxiang; Yang, Shangfeng
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 10
• Pages of publication: 5201 - 5205
• a: 25.32 ± 0.0012 Å
• b: 14.9752 ± 0.0009 Å
• c: 19.8856 ± 0.001 Å
• α: 90°
• β: 94.325 ± 0.005°
• γ: 90°
• Cell volume: 7518.6 ± 0.7 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 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: 0.1388
• Residual factor for significantly intense reflections: 0.102
• Weighted residual factors for significantly intense reflections: 0.2645
• Weighted residual factors for all reflections included in the refinement: 0.3119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No