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Information card for entry 7023052
Preview
Coordinates | 7023052.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C23 H24 F3 N2 O7 Re S |
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Calculated formula | C23 H24 F3 N2 O7 Re S |
SMILES | [Re]1([n]2ccc(cc2c2[n]1ccc(c2)C(C)(C)C)C(C)(C)C)(C#[O])(C#[O])(C#[O])C#[O].S(=O)(=O)([O-])C(F)(F)F |
Title of publication | Carbon monoxide release catalysed by electron transfer: electrochemical and spectroscopic investigations of [Re(bpy-R)(CO)4](OTf) complexes relevant to CO2 reduction. |
Authors of publication | Grice, Kyle A.; Gu, Nina X.; Sampson, Matthew D.; Kubiak, Clifford P. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2013 |
Journal volume | 42 |
Journal issue | 23 |
Pages of publication | 8498 - 8503 |
a | 10.9153 ± 0.0004 Å |
b | 11.3329 ± 0.0004 Å |
c | 21.3969 ± 0.0007 Å |
α | 90° |
β | 103.586 ± 0.002° |
γ | 90° |
Cell volume | 2572.78 ± 0.16 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
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 | 0.0305 |
Residual factor for significantly intense reflections | 0.0221 |
Weighted residual factors for significantly intense reflections | 0.0515 |
Weighted residual factors for all reflections included in the refinement | 0.0559 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
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/7023052.html
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