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Information card for entry 4104650
Preview
| Coordinates | 4104650.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Ce@C82(Ad)-II |
|---|---|
| Chemical name | Ce@C82(Ad)-II |
| Formula | C109 H50 Ce N S2 |
| Calculated formula | C109 H50 Ce N S2 |
| Title of publication | Anisotropic Magnetic Behavior of Anionic Ce@C82 Carbene Adducts |
| Authors of publication | Yuta Takano; Motoki Aoyagi; Michio Yamada; Hidefumi Nikawa; Zdenek Slanina; Naomi Mizorogi; Midori O. Ishitsuka; Takahiro Tsuchiya; Yutaka Maeda; Takeshi Akasaka; Tatsuhisa Kato; Shigeru Nagase |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2009 |
| Journal volume | 131 |
| Pages of publication | 9340 - 9346 |
| a | 14.709 ± 0.004 Å |
| b | 15.587 ± 0.003 Å |
| c | 15.703 ± 0.003 Å |
| α | 75.603 ± 0.007° |
| β | 65.44 ± 0.008° |
| γ | 78.677 ± 0.009° |
| Cell volume | 3153.9 ± 1.2 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0715 |
| Residual factor for significantly intense reflections | 0.0593 |
| Weighted residual factors for significantly intense reflections | 0.147 |
| Weighted residual factors for all reflections included in the refinement | 0.1539 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
| 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 |
|---|---|---|---|
| 178792 (current) | 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 4/10/46. |
4104650.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4104650.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4104650.cif |
| 29676 | 2011-11-04 | ../uploads/cif-deposit/cod/cif Adding structures of 4104650 via cif-deposit CGI script. |
4104650.cif |
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Users of the data should acknowledge the original authors of the
structural data.