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Information card for entry 4082811
Preview
| Coordinates | 4082811.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C46 H38 Fe N4 |
|---|---|
| Calculated formula | C46 H38 Fe N4 |
| SMILES | [Fe]1(=C2N(C)c3ccccc3N2c2ccccc2c2ccccc2N2C=1N(c1c2cccc1)C)(c1ccccc1)c1ccccc1.c1ccccc1 |
| Title of publication | Iron(II) Dihydrocarbyls Supported by a Biphenyl-Linked Bis(benzimidazol-2-ylidene) Ligand: Syntheses and Characterization |
| Authors of publication | Liu, Yang; Shi, Min; Deng, Liang |
| Journal of publication | Organometallics |
| Year of publication | 2014 |
| Journal volume | 33 |
| Journal issue | 20 |
| Pages of publication | 5660 |
| a | 10.4727 ± 0.0011 Å |
| b | 13.376 ± 0.0014 Å |
| c | 14.3109 ± 0.0015 Å |
| α | 104.579 ± 0.002° |
| β | 108.587 ± 0.002° |
| γ | 93.768 ± 0.002° |
| Cell volume | 1815.5 ± 0.3 Å3 |
| Cell temperature | 140 ± 2 K |
| Ambient diffraction temperature | 140 ± 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 | 0.0856 |
| Residual factor for significantly intense reflections | 0.0504 |
| Weighted residual factors for significantly intense reflections | 0.1316 |
| Weighted residual factors for all reflections included in the refinement | 0.1745 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178717 (current) | 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 4/08/28. |
4082811.cif |
| 126004 | 2014-10-30 | cod/ (saulius@kolibris) Adding full bibliographies to the recently deposited structures from RSS feeds. |
4082811.cif |
| 108668 | 2014-04-02 | cif/ Adding structures of 4082807, 4082808, 4082809, 4082810, 4082811, 4082812, 4082813, 4082814, 4082815 via cif-deposit CGI script. |
4082811.cif |
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Users of the data should acknowledge the original authors of the
structural data.