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Information card for entry 7713023
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Coordinates | 7713023.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | KC4 |
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Formula | C33 H30 Cl2 Mn N3 O3 |
Calculated formula | C32 H28 Mn N3 O3 |
SMILES | [Mn]1([n]2c(c3c(C)cc(C)cc3C)cccc2c2[n]1c(ccc2)c1c(C)cc(C)cc1C)(C#[O])(C#[O])(C#[O])C#N |
Title of publication | Mechanistic insights into CO<sub>2</sub> conversion to CO using cyano manganese complexes. |
Authors of publication | Cohen, Kailyn Y.; Nedd, Delaan G.; Evans, Rebecca; Bocarsly, Andrew B. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2023 |
a | 35.058 ± 0.004 Å |
b | 8.15 ± 0.0009 Å |
c | 23.637 ± 0.003 Å |
α | 90° |
β | 115.81 ± 0.004° |
γ | 90° |
Cell volume | 6079.9 ± 1.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0721 |
Residual factor for significantly intense reflections | 0.0535 |
Weighted residual factors for significantly intense reflections | 0.1299 |
Weighted residual factors for all reflections included in the refinement | 0.1404 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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