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Information card for entry 4079127
Preview
Coordinates | 4079127.cif |
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Original paper (by DOI) | HTML |
Formula | C26 H15 O3 Re |
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Calculated formula | C26 H15 O3 Re |
SMILES | [Re]1234([c]5([cH]1[cH]2[c]13[c]45cccc1)c1c2ccccc2cc2ccccc12)(C#[O])(C#[O])C#[O] |
Title of publication | High and Low Rotational Barriers in Metal Tricarbonyl Complexes of 2- and 3-Indenyl Anthracenes and Triptycenes: Rational Design of Molecular Brakes |
Authors of publication | Nikitin, Kirill; Bothe, Cornelia; Müller-Bunz, Helge; Ortin, Yannick; McGlinchey, Michael J. |
Journal of publication | Organometallics |
Year of publication | 2012 |
Journal volume | 31 |
Journal issue | 17 |
Pages of publication | 6183 |
a | 7.7534 ± 0.0007 Å |
b | 9.9783 ± 0.0009 Å |
c | 12.5568 ± 0.0012 Å |
α | 85.996 ± 0.002° |
β | 85.794 ± 0.002° |
γ | 78.929 ± 0.002° |
Cell volume | 949.28 ± 0.15 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0348 |
Residual factor for significantly intense reflections | 0.0294 |
Weighted residual factors for significantly intense reflections | 0.0644 |
Weighted residual factors for all reflections included in the refinement | 0.0664 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
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/4079127.html
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