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Information card for entry 4085393
Preview
| Coordinates | 4085393.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | 1 in manuscript |
|---|---|
| Formula | C30 H48 Br2 Li2 N8 |
| Calculated formula | C30 H48 Br2 Li2 N8 |
| Title of publication | Lithium Complexes of Neutral Bis-NHC Ligands |
| Authors of publication | Brendel, Matthias; Wenz, Jan; Shishkov, Igor V.; Rominger, Frank; Hofmann, Peter |
| Journal of publication | Organometallics |
| Year of publication | 2015 |
| Journal volume | 34 |
| Journal issue | 3 |
| Pages of publication | 669 |
| a | 9.903 ± 0.003 Å |
| b | 11.156 ± 0.003 Å |
| c | 16.309 ± 0.004 Å |
| α | 90° |
| β | 101.682 ± 0.005° |
| γ | 90° |
| Cell volume | 1764.5 ± 0.8 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 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 | 0.0734 |
| Residual factor for significantly intense reflections | 0.0529 |
| Weighted residual factors for significantly intense reflections | 0.1523 |
| Weighted residual factors for all reflections included in the refinement | 0.1661 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301831 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/08/ Each referenced PubChem compound corresponds to the full crystal structure. |
4085393.cif |
| 178742 | 2016-03-21 | cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/53. |
4085393.cif |
| 132975 | 2015-03-04 | cif/ Updating files of 4085393, 4085394, 4085395, 4085396, 4085397, 4085398 Original log message: Adding full bibliography for 4085393--4085398.cif. |
4085393.cif |
| 130851 | 2015-02-04 | cif/ Adding structures of 4085393, 4085394, 4085395, 4085396, 4085397, 4085398 via cif-deposit CGI script. |
4085393.cif |
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Users of the data should acknowledge the original authors of the
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