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Information card for entry 2240788
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| Coordinates | 2240788.cif |
|---|---|
| Structure factors | 2240788.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | Di-μ-iodido-bis{[1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene]lithium} |
|---|---|
| Formula | C54 H72 I2 Li2 N4 |
| Calculated formula | C54 H72 I2 Li2 N4 |
| SMILES | [Li]1(=C2N(C=CN2c2c(C(C)C)cccc2C(C)C)c2c(cccc2C(C)C)C(C)C)[I][Li](=C2N(C=CN2c2c(C(C)C)cccc2C(C)C)c2c(cccc2C(C)C)C(C)C)[I]1 |
| Title of publication | Crystal structure of di-μ-iodido-bis{[1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene]lithium} |
| Authors of publication | Wan, Hui-Da; Hong, Jian-Quan |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 6 |
| Pages of publication | m137 - m138 |
| a | 10.645 ± 0.004 Å |
| b | 14.49 ± 0.006 Å |
| c | 19.217 ± 0.007 Å |
| α | 90° |
| β | 105.565 ± 0.006° |
| γ | 90° |
| Cell volume | 2855.4 ± 1.9 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0915 |
| Residual factor for significantly intense reflections | 0.0537 |
| Weighted residual factors for significantly intense reflections | 0.1014 |
| Weighted residual factors for all reflections included in the refinement | 0.1118 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.003 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181907 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/07 |
2240788.cif 2240788.hkl |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
2240788.cif 2240788.hkl |
| 137447 | 2015-05-28 | cif/ hkl/ Adding structures of 2240788 via cif-deposit CGI script. |
2240788.cif 2240788.hkl |
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Users of the data should acknowledge the original authors of the
structural data.