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Information card for entry 4113400
Preview
Coordinates | 4113400.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H41 Cl N2 Ni |
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Calculated formula | C30 H41 Cl N2 Ni |
SMILES | [Ni]12(Cl)(=C3N(c4c(cccc4C(C)C)C(C)C)C=CN3c3c(cccc3C(C)C)C(C)C)[CH2]=[CH]1C2 |
Title of publication | Unusual Reactivity of Molecular Oxygen with π-Allylnickel(N-heterocyclic carbene) Chloride Complexes |
Authors of publication | Benjamin R. Dible; Matthew S. Sigman |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2003 |
Journal volume | 125 |
Pages of publication | 872 - 873 |
a | 12.4456 ± 0.0002 Å |
b | 14.6922 ± 0.0002 Å |
c | 16.5225 ± 0.0003 Å |
α | 90° |
β | 103.775 ± 0.0006° |
γ | 90° |
Cell volume | 2934.3 ± 0.08 Å3 |
Cell temperature | 150 ± 1 K |
Ambient diffraction temperature | 150 ± 1 K |
Number of distinct elements | 5 |
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 | 0.0508 |
Residual factor for significantly intense reflections | 0.0338 |
Weighted residual factors for significantly intense reflections | 0.0792 |
Weighted residual factors for all reflections included in the refinement | 0.0869 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
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/4113400.html
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