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Information card for entry 4301098
Preview
| Coordinates | 4301098.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C56 H42 N2 O8 Re2 |
|---|---|
| Calculated formula | C56 H42 N2 O8 Re2 |
| SMILES | [Re]1([n]2c3c([n]4[Re](C(c5c(c4c2c2ccccc2C1(c1ccccc1)c1ccccc1)cccc5)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])C#[O])cccc3)(C#[O])(C#[O])C#[O].O(CCOC)C |
| Title of publication | Stable and Highly Persistent Quinoxaline-Centered Metalloorganic Radical Anions: Preparation, Structural, Spectroscopic, and Computational Investigations |
| Authors of publication | Sylvie Choua; Jean-Pierre Djukic; Jérôme Dalléry; André Bieber; Richard Welter; Jean-Paul Gisselbrecht; Philippe Turek; Louis Ricard |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2009 |
| Journal volume | 48 |
| Pages of publication | 149 - 163 |
| a | 20.875 ± 0.0011 Å |
| b | 12.017 ± 0.0009 Å |
| c | 19.061 ± 0.0012 Å |
| α | 90° |
| β | 102.435 ± 0.005° |
| γ | 90° |
| Cell volume | 4669.4 ± 0.5 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1293 |
| Residual factor for significantly intense reflections | 0.0579 |
| Weighted residual factors for significantly intense reflections | 0.0829 |
| Weighted residual factors for all reflections included in the refinement | 0.0979 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.983 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179048 (current) | 2016-03-22 | cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/10. |
4301098.cif |
| 120081 | 2014-07-11 | Adding DOIs to range 4/30 structures. | 4301098.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4301098.cif |
| 1054 | 2010-03-28 | cif/4/ Adding data extracted in Inorg-Chem-2009_01-10/ processing. |
4301098.cif |
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