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Information card for entry 7014697
Preview
Coordinates | 7014697.cif |
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Original paper (by DOI) | HTML |
Formula | C20 H22 Ag Br N2 |
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Calculated formula | C20 H22 Ag Br N2 |
SMILES | [Ag](Br)=C1N(C=CN1C1CCCCC1)Cc1cc2ccccc2cc1 |
Title of publication | Well-defined N-heterocyclic carbene silver halides of 1-cyclohexyl-3-arylmethylimidazolylidenes: synthesis, structure and catalysis in A(3)-reaction of aldehydes, amines and alkynes. |
Authors of publication | Li, Yanbo; Chen, Xiaofeng; Song, Yin; Fang, Ling; Zou, Gang |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 9 |
Pages of publication | 2046 - 2052 |
a | 9.5958 ± 0.0014 Å |
b | 10.0014 ± 0.0014 Å |
c | 10.5225 ± 0.0015 Å |
α | 78.32 ± 0.002° |
β | 68.86 ± 0.002° |
γ | 84.966 ± 0.002° |
Cell volume | 922.3 ± 0.2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0599 |
Residual factor for significantly intense reflections | 0.0539 |
Weighted residual factors for significantly intense reflections | 0.1375 |
Weighted residual factors for all reflections included in the refinement | 0.1412 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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