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Information card for entry 4080912
Preview
Coordinates | 4080912.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C15 H18 Fe O5 |
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Calculated formula | C15 H18 Fe O5 |
SMILES | [Fe]123(C#[O])(C#[O])(C#[O])[C]4(OC(=O)CCCCC)=[CH]1[CH]2=[CH]3CC4 |
Title of publication | Synthesis and Performance of Acyloxy-diene-Fe(CO)3Complexes with Variable Chain Lengths as Enzyme-Triggered Carbon Monoxide-Releasing Molecules |
Authors of publication | Botov, Svetlana; Stamellou, Eleni; Romanski, Steffen; Guttentag, Miguel; Alberto, Roger; Neudörfl, Jörg-Martin; Yard, Benito; Schmalz, Hans-Günther |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 13 |
Pages of publication | 3587 |
a | 8.494 ± 0.0007 Å |
b | 7.7356 ± 0.0006 Å |
c | 24.1713 ± 0.0017 Å |
α | 90° |
β | 107.372 ± 0.004° |
γ | 90° |
Cell volume | 1515.8 ± 0.2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
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 | 0.069 |
Residual factor for significantly intense reflections | 0.0524 |
Weighted residual factors for significantly intense reflections | 0.1212 |
Weighted residual factors for all reflections included in the refinement | 0.1275 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.137 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4080912.html
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