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Information card for entry 4031742
Preview
Coordinates | 4031742.cif |
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Original paper (by DOI) | HTML |
Formula | C20 H29 Cl N2 Ni |
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Calculated formula | C20 H29 Cl N2 Ni |
SMILES | [Ni]1234(Cl)(=C5N(C=CN5C5CCCCC5)C5CCCCC5)[cH]5[cH]4[cH]3[cH]2[cH]15 |
Title of publication | Half-sandwich nickel(II) complexes bearing 1,3-di(cycloalkyl)imidazol-2-ylidene ligands. |
Authors of publication | Yau, Johnathon; Hunt, Kaarel E.; McDougall, Laura; Kennedy, Alan R.; Nelson, David J. |
Journal of publication | Beilstein journal of organic chemistry |
Year of publication | 2015 |
Journal volume | 11 |
Pages of publication | 2171 - 2178 |
a | 16.3306 ± 0.0003 Å |
b | 10.2549 ± 0.0002 Å |
c | 11.1879 ± 0.0002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1873.62 ± 0.06 Å3 |
Cell temperature | 123 ± 2 K |
Ambient diffraction temperature | 123 ± 2 K |
Number of distinct elements | 5 |
Space group number | 29 |
Hermann-Mauguin space group symbol | P c a 21 |
Hall space group symbol | P 2c -2ac |
Residual factor for all reflections | 0.0412 |
Residual factor for significantly intense reflections | 0.0336 |
Weighted residual factors for significantly intense reflections | 0.0652 |
Weighted residual factors for all reflections included in the refinement | 0.0683 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
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/4031742.html
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