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Information card for entry 4111327
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Coordinates | 4111327.cif |
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Original paper (by DOI) | HTML |
Common name | Tb3N@C80(D5h).NiOEP.2benzene |
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Formula | C128 H56 N5 Ni Tb3 |
Calculated formula | C130 H56 N5 Ni Tb2.9992 |
Title of publication | Isolation and Structural Characterization of a Family of Endohedral Fullerenes Including the Large, Chiral Cage Fullerenes Tb3N@C88 and Tb3N@C86 as well as the Ih and D5h Isomers of Tb3N@C80 |
Authors of publication | Tianming Zuo; Christine M. Beavers; James C. Duchamp; Anne Campbell; Harry C. Dorn; Marilyn M. Olmstead; Alan L. Balch |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2007 |
Journal volume | 129 |
Pages of publication | 2035 - 2043 |
a | 25.2505 ± 0.0007 Å |
b | 15.1262 ± 0.0004 Å |
c | 19.7335 ± 0.0005 Å |
α | 90° |
β | 95.438 ± 0.003° |
γ | 90° |
Cell volume | 7503.2 ± 0.3 Å3 |
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 | 0.0972 |
Residual factor for significantly intense reflections | 0.0794 |
Weighted residual factors for significantly intense reflections | 0.2183 |
Weighted residual factors for all reflections included in the refinement | 0.2343 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.089 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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