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Information card for entry 7012057
Preview
Coordinates | 7012057.cif |
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Original paper (by DOI) | HTML |
Formula | C13 H16 Cl3 Cr N6 O |
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Calculated formula | C13 H16 Cl3 Cr N6 O |
SMILES | [Cr]1(Cl)(Cl)(Cl)([n]2c(n(cc2)C)C(=O)c2[n]1ccn2C)[N]#CC.N#CC |
Title of publication | Synthesis, characterisation and catalytic behaviour of a novel class of chromium(III) and vanadium(III) complexes containing bi- and tri-dentate imidazole chelating ligands: a comparative study |
Authors of publication | Thomas Rüther; Kingsley J. Cavell; Nathalie C. Braussaud; Brian W. Skelton; Allan H. White |
Journal of publication | J. Chem. Soc., Dalton Trans. |
Year of publication | 2002 |
Journal issue | 24 |
Pages of publication | 4684 - 4693 |
a | 6.9757 ± 0.0002 Å |
b | 14.6946 ± 0.0005 Å |
c | 17.5803 ± 0.0006 Å |
α | 90° |
β | 94.419 ± 0.001° |
γ | 90° |
Cell volume | 1796.71 ± 0.1 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.051 |
Residual factor for significantly intense reflections | 0.03 |
Weighted residual factors for all reflections | 0.038 |
Weighted residual factors for all reflections included in the refinement | 0.035 |
Goodness-of-fit parameter for all reflections | 0.983 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
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/7012057.html
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