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Information card for entry 4070691
Preview
| Coordinates | 4070691.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C73 H96 Ag2 Br2 Fe N6 O2 |
|---|---|
| Calculated formula | C73 H96 Ag2 Br2 Fe N6 O2 |
| SMILES | [Ag](Br)=C1N(C=C(c2ccccc2)N1[C@@H]1CCCC[C@H]1[N]1=Cc2cc(cc(c2O[Fe]21[N]([C@H]1[C@@H](CCCC1)N1C(=[Ag]Br)N(C=C1c1ccccc1)C(C)C)=Cc1cc(cc(c1O2)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)C.c1(ccccc1)C |
| Title of publication | Synthesis and Structural Variation of Iron, Rhodium, Palladium, and Silver Complexes of a Chiral N-Heterocyclic Carbene−Phenoxyimine Hybrid Ligand |
| Authors of publication | Dyson, Gavin; Frison, Jean-Cédric; Simonovic, Stevan; Whitwood, Adrian C.; Douthwaite, Richard E. |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 2 |
| Pages of publication | 281 |
| a | 16.8959 ± 0.0014 Å |
| b | 18.3946 ± 0.0016 Å |
| c | 23.265 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 7230.6 ± 1.1 Å3 |
| Cell temperature | 110 ± 2 K |
| Ambient diffraction temperature | 110 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0578 |
| Residual factor for significantly intense reflections | 0.0418 |
| Weighted residual factors for significantly intense reflections | 0.0876 |
| Weighted residual factors for all reflections included in the refinement | 0.094 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178595 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/06. |
4070691.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4070691.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4070691.cif |
| 42646 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4070689, 4070690, 4070691 via cif-deposit CGI script. |
4070691.cif |
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