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Information card for entry 4104946
Preview
| Coordinates | 4104946.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Y@C82Ad-A |
|---|---|
| Chemical name | Y@C82Ad-A |
| Formula | C94.5 H14 S5 Y |
| Calculated formula | C94.58 H14 S5 Y |
| Title of publication | Location of the Yttrium Atom in Y@C82 and Its Influence on the Reactivity of Cage Carbons |
| Authors of publication | Xing Lu; Hidefumi Nikawa; Lai Feng; Takahiro Tsuchiya; Yutaka Maeda; Takeshi Akasaka; Naomi Mizorogi; Zdenek Slanina; Shigeru Nagase |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2009 |
| Journal volume | 131 |
| Pages of publication | 12066 - 12067 |
| a | 11.3472 ± 0.0003 Å |
| b | 21.915 ± 0.0005 Å |
| c | 20.9629 ± 0.0005 Å |
| α | 90° |
| β | 101.536 ± 0.001° |
| γ | 90° |
| Cell volume | 5107.6 ± 0.2 Å3 |
| Cell temperature | 110 ± 2 K |
| Ambient diffraction temperature | 110 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0772 |
| Residual factor for significantly intense reflections | 0.0647 |
| Weighted residual factors for significantly intense reflections | 0.1611 |
| Weighted residual factors for all reflections included in the refinement | 0.1732 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 295947 (current) | 2024-11-16 | Replaced the '\/Y' character sequence with the backslash character ('\') in multiple data values. |
4104946.cif |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4104946.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4104946.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4104946.cif |
| 30080 | 2011-11-09 | ../uploads/cif-deposit/cod/cif Adding structures of 4104946 via cif-deposit CGI script. |
4104946.cif |
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Users of the data should acknowledge the original authors of the
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