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Information card for entry 4073008
Preview
| Coordinates | 4073008.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H14 Fe O3 |
|---|---|
| Calculated formula | C19 H14 Fe O3 |
| SMILES | [Fe]12345(C(=O)[C@H]([C@H]6C=C[c]75[c]1([cH]2[cH]3[cH]47)C6)c1ccccc1)(C#[O])C#[O].[Fe]12345(C(=O)[C@@H]([C@@H]6C=C[c]75[c]1([cH]2[cH]3[cH]47)C6)c1ccccc1)(C#[O])C#[O] |
| Title of publication | Thermolytic Products Derived from Thermolysis of Cycloolefin-Coordinated Diiron Bridging Carbene Complexes† |
| Authors of publication | Zhang, Lei; Sun, Jie; Zhu, Huping; Tsumori, Nobuko; Xu, Qiang; Chen, Jiabi |
| Journal of publication | Organometallics |
| Year of publication | 2007 |
| Journal volume | 26 |
| Journal issue | 10 |
| Pages of publication | 2630 |
| a | 7.163 ± 0.003 Å |
| b | 11.724 ± 0.006 Å |
| c | 36.548 ± 0.017 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3069 ± 2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.1369 |
| Residual factor for significantly intense reflections | 0.0498 |
| Weighted residual factors for significantly intense reflections | 0.0903 |
| Weighted residual factors for all reflections included in the refinement | 0.1069 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.795 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178619 (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 4/07/30. |
4073008.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4073008.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4073008.cif |
| 46117 | 2012-03-21 | ../uploads/cif-deposit/cod/cif Adding structures of 4073005, 4073006, 4073007, 4073008 via cif-deposit CGI script. |
4073008.cif |
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Users of the data should acknowledge the original authors of the
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