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Information card for entry 4065528
Preview
Coordinates | 4065528.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C27 H23 Fe Mn O5 |
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Calculated formula | C27 H23 Fe Mn O5 |
SMILES | [Fe]12345678([c]9([cH]4[cH]3[cH]2[cH]19)C([C]12[Mn]349([CH]1=[CH]3[C]4(=[CH]9C2c1ccccc1)OC)(C#[O])(C#[O])C#[O])O)[cH]1[cH]8[cH]7[cH]6[cH]51 |
Title of publication | Ferrocenyl-Substituted (η5-Hydroxyalkylcyclohexadienyl)tricarbonylmanganese Complexes: Synthesis, Structural Determinations, and Formation of Carbenium Ions |
Authors of publication | Eloi, Antoine; Poizat, Mael; Hautecoeur, Albin; Panossian, Armen; Rose-Munch, Françoise; Rose, Eric |
Journal of publication | Organometallics |
Year of publication | 2011 |
Journal volume | 30 |
Journal issue | 21 |
Pages of publication | 5564 |
a | 12.4922 ± 0.0009 Å |
b | 10.8249 ± 0.001 Å |
c | 17.5015 ± 0.0011 Å |
α | 90° |
β | 103.199 ± 0.005° |
γ | 90° |
Cell volume | 2304.2 ± 0.3 Å3 |
Cell temperature | 200 K |
Ambient diffraction temperature | 200 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0972 |
Residual factor for significantly intense reflections | 0.0462 |
Weighted residual factors for all reflections | 0.1313 |
Weighted residual factors for significantly intense reflections | 0.1133 |
Weighted residual factors for all reflections included in the refinement | 0.1313 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.9517 |
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/4065528.html
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Users of the data should acknowledge the original authors of the
structural data.