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Information card for entry 4304930
Preview
| Coordinates | 4304930.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | ((1-(2',4',6'-triisopropylbiphenyl-2)) (3-(2,4,6,2'',4'',6''-hexamethyl-1,1':3';1''-terphenyl-2')) (triazenido-N,N'))lithium |
|---|---|
| Formula | C45 H52 K N3 |
| Calculated formula | C45 H52 K N3 |
| Title of publication | Isostructural Potassium and Thallium Salts of Sterically Crowded Triazenes: A Structural and Computational Study |
| Authors of publication | Hyui Sul Lee; Sven-Oliver Hauber; Denis Vinduš; Mark Niemeyer |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2008 |
| Journal volume | 47 |
| Pages of publication | 4401 - 4412 |
| a | 9.836 ± 0.002 Å |
| b | 12.026 ± 0.003 Å |
| c | 18.132 ± 0.004 Å |
| α | 74.59 ± 0.02° |
| β | 74.69 ± 0.02° |
| γ | 73.39 ± 0.02° |
| Cell volume | 1939.9 ± 0.8 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0687 |
| Residual factor for significantly intense reflections | 0.0544 |
| Weighted residual factors for significantly intense reflections | 0.1392 |
| Weighted residual factors for all reflections included in the refinement | 0.1515 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301836 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/30/ Each referenced PubChem compound corresponds to the full crystal structure. |
4304930.cif |
| 179087 | 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 4/30/49. |
4304930.cif |
| 171491 | 2015-12-13 | cif/ (antanas@echidna.ibt.lt) Removing surrounding qoutes ("'") from the _chemical_name_systematic tag values in multiple entries in range 4. |
4304930.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4304930.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4304930.cif |
| 1163 | 2010-05-11 | cif/4/: committing data from the Inorg-Chem-2008_01-12/ deposition. | 4304930.cif |
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Users of the data should acknowledge the original authors of the
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