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Information card for entry 1517097
Preview
Coordinates | 1517097.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C13 H14 Mo O5 |
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Calculated formula | C13 H14 Mo O5 |
SMILES | [Mo]1234([cH]5[cH]1[cH]2[cH]3[cH]45)(C#[O])(C#[O])(C#[O])C(C(=O)OCC)C |
Title of publication | Cyclopentadienyl molybdenum alkyl ester complexes as catalyst precursors for olefin epoxidation |
Authors of publication | Grover, Nidhi; Pöthig, Alexander; Kühn, Fritz E. |
Journal of publication | Catal. Sci. Technol. |
Year of publication | 2014 |
Journal volume | 4 |
Journal issue | 12 |
Pages of publication | 4219 |
a | 10.3022 ± 0.0008 Å |
b | 11.1065 ± 0.0009 Å |
c | 23.6758 ± 0.0019 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2709 ± 0.4 Å3 |
Cell temperature | 123 K |
Ambient diffraction temperature | 123 K |
Number of distinct elements | 4 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.032 |
Residual factor for significantly intense reflections | 0.0231 |
Weighted residual factors for significantly intense reflections | 0.0474 |
Weighted residual factors for all reflections included in the refinement | 0.0524 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.135 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1517097.html
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