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Information card for entry 4073131
Preview
| Coordinates | 4073131.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H25 Cl2 Fe2 N O6 |
|---|---|
| Calculated formula | C23 H25 Cl2 Fe2 N O6 |
| SMILES | ClCCl.[Fe]123456([Fe]789%10%11%12%13([C]1(N(/C=C/C(=O)OC)C)=[CH]9[C]7(=[C]28O)C(=O)OC)[cH]1[cH]%10[cH]%11[cH]%12[cH]%131)(C#[O])[cH]1[cH]3[cH]4[cH]5[cH]61 |
| Title of publication | Alkyne−Isocyanide Coupling in [Fe2(CNMe)(CO)3(Cp)2]: A New Route to Diiron μ-Vinyliminium Complexes† |
| Authors of publication | Albano, Vincenzo G.; Busetto, Luigi; Marchetti, Fabio; Monari, Magda; Zacchini, Stefano; Zanotti, Valerio |
| Journal of publication | Organometallics |
| Year of publication | 2007 |
| Journal volume | 26 |
| Journal issue | 14 |
| Pages of publication | 3448 |
| a | 9.0847 ± 0.0018 Å |
| b | 35.133 ± 0.007 Å |
| c | 8.4489 ± 0.0017 Å |
| α | 90° |
| β | 115.43 ± 0.03° |
| γ | 90° |
| Cell volume | 2435.4 ± 1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0911 |
| Residual factor for significantly intense reflections | 0.0817 |
| Weighted residual factors for significantly intense reflections | 0.1789 |
| Weighted residual factors for all reflections included in the refinement | 0.185 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.131 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178620 (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 4/07/31. |
4073131.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4073131.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4073131.cif |
| 46181 | 2012-03-21 | ../uploads/cif-deposit/cod/cif Adding structures of 4073129, 4073130, 4073131, 4073132 via cif-deposit CGI script. |
4073131.cif |
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Users of the data should acknowledge the original authors of the
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