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Information card for entry 4108387
Preview
| Coordinates | 4108387.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Gd@C82Ad |
|---|---|
| Chemical name | Gd@C82Ad |
| Formula | C96.5 H15.5 Cl1.5 Gd S3 |
| Calculated formula | C96.423 H15.5 Cl1.5 Gd S3 |
| Title of publication | Does Gd@C82 Have an Anomalous Endohedral Structure? Synthesis and Single Crystal X-ray Structure of the Carbene Adduct |
| Authors of publication | Takeshi Akasaka; Takayoshi Kono; Yuji Takematsu; Hidefumi Nikawa; Tsukasa Nakahodo; Takatsugu Wakahara; Midori O. Ishitsuka; Takahiro Tsuchiya; Yutaka Maeda; Michael T. H. Liu; Kenji Yoza; Tatsuhisa Kato; Kazunori Yamamoto; Naomi Mizorogi; Zdenek Slanina; Shigeru Nagase |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2008 |
| Journal volume | 130 |
| Pages of publication | 12840 - 12841 |
| a | 11.41 ± 0.004 Å |
| b | 22.139 ± 0.008 Å |
| c | 21.097 ± 0.008 Å |
| α | 90° |
| β | 101.145 ± 0.004° |
| γ | 90° |
| Cell volume | 5229 ± 3 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 5 |
| 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 | 0.0979 |
| Residual factor for significantly intense reflections | 0.0805 |
| Weighted residual factors for significantly intense reflections | 0.2124 |
| Weighted residual factors for all reflections included in the refinement | 0.2273 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4108387.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4108387.cif |
| 56741 | 2012-05-15 | cif/ Adding structures of 4108387 via cif-deposit CGI script. |
4108387.cif |
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