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Information card for entry 4068457
Preview
Coordinates | 4068457.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C21 H15 Mn O5 S |
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Calculated formula | C21 H15 Mn O5 S |
SMILES | [Mn]1234([cH]5[c]1([c]2([cH]3[cH]4[cH]5c1ccccc1)C(=O)c1sccc1)OC)(C#[O])(C#[O])C#[O] |
Title of publication | A Simple Route to Keto-Substituted (η5-Cyclohexadienyl)Mn(CO)3Complexes Using Organomanganese Transmetalation: Structural and Theoretical Characterizations |
Authors of publication | Eloi, Antoine; Rose-Munch, Françoise; Rose, Eric; Chavarot-Kerlidou, Murielle; Gérard, Hélène |
Journal of publication | Organometallics |
Year of publication | 2009 |
Journal volume | 28 |
Journal issue | 3 |
Pages of publication | 925 |
a | 9.8801 ± 0.0013 Å |
b | 15.8666 ± 0.0015 Å |
c | 12.4541 ± 0.0009 Å |
α | 90° |
β | 98.608 ± 0.008° |
γ | 90° |
Cell volume | 1930.4 ± 0.3 Å3 |
Cell temperature | 250 K |
Ambient diffraction temperature | 250 K |
Number of distinct elements | 5 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.1018 |
Residual factor for significantly intense reflections | 0.0334 |
Weighted residual factors for all reflections | 0.0705 |
Weighted residual factors for significantly intense reflections | 0.0294 |
Weighted residual factors for all reflections included in the refinement | 0.0294 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.1517 |
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/4068457.html
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