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Information card for entry 4108902
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Coordinates | 4108902.cif |
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Original paper (by DOI) | HTML |
Common name | Gd2(C2)@C92.NiOEP.2benzene |
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Formula | C142 H56 Gd2 N4 Ni |
Calculated formula | C143 H56 Gd2 N4 Ni |
Title of publication | Detection of a Family of Gadolinium-Containing Endohedral Fullerenes and the Isolation and Crystallographic Characterization of One Member as a Metal-Carbide Encapsulated inside a Large Fullerene Cage |
Authors of publication | Hua Yang; Chunxin Lu; Ziyang Liu; Hongxiao Jin; Yuliang Che; Marilyn M. Olmstead; Alan L. Balch |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2008 |
Journal volume | 130 |
Pages of publication | 17296 - 17300 |
a | 24.2381 ± 0.0014 Å |
b | 17.6005 ± 0.001 Å |
c | 19.7867 ± 0.0012 Å |
α | 90° |
β | 97.222 ± 0.003° |
γ | 90° |
Cell volume | 8374.1 ± 0.8 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 | 0.1589 |
Residual factor for significantly intense reflections | 0.115 |
Weighted residual factors for significantly intense reflections | 0.3151 |
Weighted residual factors for all reflections included in the refinement | 0.3576 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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