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Information card for entry 4108307
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Coordinates | 4108307.cif |
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Original paper (by DOI) | HTML |
Common name | Sc4O2@C80.NiOEP.2benzene |
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Formula | C128 H56 N4 Ni O2 Sc4 |
Calculated formula | C128.32 H56 N4 Ni O2 Sc4 |
Title of publication | A Distorted Tetrahedral Metal Oxide Cluster inside an Icosahedral Carbon Cage. Synthesis, Isolation, and Structural Characterization of Sc4(μ3-O)2@Ih-C80 |
Authors of publication | Steven Stevenson; Mary A. Mackey; Melissa A. Stuart; J. Paige Phillips; Michael L. Easterling; Christopher J. Chancellor; 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 | 11844 - 11845 |
a | 25.2074 ± 0.0012 Å |
b | 15.1047 ± 0.0007 Å |
c | 19.778 ± 0.0009 Å |
α | 90° |
β | 95.174 ± 0.003° |
γ | 90° |
Cell volume | 7499.8 ± 0.6 Å3 |
Cell temperature | 90 ± 2 K |
Ambient diffraction temperature | 90 ± 2 K |
Number of distinct elements | 6 |
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 | 0.14 |
Residual factor for significantly intense reflections | 0.1203 |
Weighted residual factors for significantly intense reflections | 0.3233 |
Weighted residual factors for all reflections included in the refinement | 0.3435 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/4108307.html
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