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Information card for entry 4086302
Preview
Coordinates | 4086302.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C12 H10 Fe O2 |
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Calculated formula | C12 H10 Fe O2 |
SMILES | [Fe]1234(C5C=CC=C5)([cH]5[cH]1[cH]2[cH]3[cH]45)(C#[O])C#[O] |
Title of publication | Synthesis and Structure of Chromium(VI) Nitrido Cyclopentadienyl Complexes |
Authors of publication | Billow, Brennan S.; Bemowski, Ross D.; DiFranco, Stephen A.; Staples, Richard J.; Odom, Aaron L. |
Journal of publication | Organometallics |
Year of publication | 2015 |
Journal volume | 34 |
Journal issue | 18 |
Pages of publication | 4567 |
a | 12.522 ± 0.0016 Å |
b | 7.4596 ± 0.0009 Å |
c | 11.2323 ± 0.0014 Å |
α | 90° |
β | 98.154 ± 0.002° |
γ | 90° |
Cell volume | 1038.6 ± 0.2 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 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 | 0.0375 |
Residual factor for significantly intense reflections | 0.0271 |
Weighted residual factors for significantly intense reflections | 0.0627 |
Weighted residual factors for all reflections included in the refinement | 0.0686 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
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/4086302.html
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Users of the data should acknowledge the original authors of the
structural data.