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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 |
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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 |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4073131.html
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Users of the data should acknowledge the original authors of the
structural data.