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Information card for entry 7014700
Preview
| Coordinates | 7014700.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H22 Ag Cl N2 |
|---|---|
| Calculated formula | C20 H22 Ag Cl N2 |
| SMILES | [Ag](Cl)=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 | 8.6763 ± 0.001 Å |
| b | 9.222 ± 0.0011 Å |
| c | 12.2495 ± 0.0015 Å |
| α | 91.356 ± 0.002° |
| β | 105.679 ± 0.002° |
| γ | 97.504 ± 0.002° |
| Cell volume | 933.78 ± 0.19 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 | 0.0868 |
| Residual factor for significantly intense reflections | 0.0773 |
| Weighted residual factors for significantly intense reflections | 0.2171 |
| Weighted residual factors for all reflections included in the refinement | 0.2278 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179851 (current) | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/47. |
7014700.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7014700.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7014700.cif |
| 14827 | 2011-03-11 | ../uploads/cif-deposit/cod/cif Adding structures of 7014696, 7014697, 7014698, 7014699, 7014700 via cif-deposit CGI script. |
7014700.cif |
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Users of the data should acknowledge the original authors of the
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