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Information card for entry 4108758
Preview
| Coordinates | 4108758.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | La@C82BzCl3 |
|---|---|
| Chemical name | La@C82BzCl3 |
| Formula | C90 H4 Cl3 La S2 |
| Calculated formula | C90 H4 Cl3 La S2 |
| Title of publication | Radical Coupling Reaction of Paramagnetic Endohedral Metallofullerene La@C82 |
| Authors of publication | Yuta Takano; Akinori Yomogida; Hidefumi Nikawa; Michio Yamada; Takatsugu Wakahara; Takahiro Tsuchiya; Midori O. Ishitsuka; Yutaka Maeda; Takeshi Akasaka; Tatsuhisa Kato; Zdenek Slanina; Naomi Mizorogi; Shigeru Nagase |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2008 |
| Journal volume | 130 |
| Pages of publication | 16224 - 16230 |
| a | 11.276 ± 0.006 Å |
| b | 21.827 ± 0.013 Å |
| c | 19.094 ± 0.011 Å |
| α | 90° |
| β | 90.723 ± 0.015° |
| γ | 90° |
| Cell volume | 4699 ± 5 Å3 |
| Cell temperature | 130 ± 2 K |
| Ambient diffraction temperature | 130 ± 2 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 | 0.1712 |
| Residual factor for significantly intense reflections | 0.1235 |
| Weighted residual factors for significantly intense reflections | 0.332 |
| Weighted residual factors for all reflections included in the refinement | 0.3617 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.3 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.6888 Å |
| Diffraction radiation type | synchrotron |
| 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. |
4108758.cif |
| 178833 | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/87. |
4108758.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4108758.cif |
| 57128 | 2012-05-17 | cif/ Adding structures of 4108758 via cif-deposit CGI script. |
4108758.cif |
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Users of the data should acknowledge the original authors of the
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