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Information card for entry 4301097
Preview
| Coordinates | 4301097.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C41 H24 Cl2 N2 O7 Re2 |
|---|---|
| Calculated formula | C41 H24 Cl2 N2 O7 Re2 |
| SMILES | [Re]1([n]2c(c3c(C1(c1ccccc1)c1ccccc1)cccc3)c1[n]([Re](c3c1cccc3)(C#[O])(C#[O])(C#[O])C#[O])c1c2cccc1)(C#[O])(C#[O])C#[O].ClCCl |
| 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 | 12.016 ± 0.002 Å |
| b | 12.949 ± 0.002 Å |
| c | 13.764 ± 0.003 Å |
| α | 101.64 ± 0.05° |
| β | 102.18 ± 0.05° |
| γ | 112.15 ± 0.05° |
| Cell volume | 1842.9 ± 1.3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0622 |
| Residual factor for significantly intense reflections | 0.0425 |
| Weighted residual factors for significantly intense reflections | 0.0963 |
| Weighted residual factors for all reflections included in the refinement | 0.105 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| 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. |
4301097.cif |
| 120081 | 2014-07-11 | Adding DOIs to range 4/30 structures. | 4301097.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4301097.cif |
| 1054 | 2010-03-28 | cif/4/ Adding data extracted in Inorg-Chem-2009_01-10/ processing. |
4301097.cif |
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