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Information card for entry 1542271
Preview
Coordinates | 1542271.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H34 Cr N4 |
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Calculated formula | C18 H34 Cr N4 |
SMILES | [Cr](Nc1ccccc1)(N(C(C)C)C(C)C)(N(C(C)C)C(C)C)#N |
Title of publication | A complex with nitrogen single, double, and triple bonds to the same chromium atom: synthesis, structure, and reactivity |
Authors of publication | Beaumier, Evan P.; Billow, Brennan S.; Singh, Amrendra K.; Biros, Shannon M.; Odom, Aaron L. |
Journal of publication | Chem. Sci. |
Year of publication | 2016 |
Journal volume | 7 |
Journal issue | 4 |
Pages of publication | 2532 |
a | 11.3075 ± 0.0007 Å |
b | 17.5868 ± 0.0011 Å |
c | 20.908 ± 0.0013 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4157.8 ± 0.4 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173.15 K |
Number of distinct elements | 4 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0858 |
Residual factor for significantly intense reflections | 0.049 |
Weighted residual factors for significantly intense reflections | 0.1197 |
Weighted residual factors for all reflections included in the refinement | 0.1454 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
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/1542271.html
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