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Information card for entry 2206873
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| Coordinates | 2206873.cif |
|---|---|
| Structure factors | 2206873.hkl |
| Original IUCr paper | HTML |
| Chemical name | tetrakis(tert-butylisocyanide)copper(I) chloride monohydrate |
|---|---|
| Formula | C20 H38 Cl Cu N4 O |
| Calculated formula | C20 H38 Cl Cu N4 O |
| Title of publication | Tetrakis(<i>tert</i>-butyl isocyanide)copper(I) chloride monohydrate |
| Authors of publication | Imhof, Wolfgang; Halbauer, Kathi; Görls, Helmar |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2005 |
| Journal volume | 61 |
| Journal issue | 10 |
| Pages of publication | m1995 - m1997 |
| a | 22.3933 ± 0.0009 Å |
| b | 5.6174 ± 0.0002 Å |
| c | 22.3033 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2805.58 ± 0.18 Å3 |
| Cell temperature | 183 ± 2 K |
| Ambient diffraction temperature | 183 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 54 |
| Hermann-Mauguin space group symbol | P c c a |
| Hall space group symbol | -P 2a 2ac |
| Residual factor for all reflections | 0.1251 |
| Residual factor for significantly intense reflections | 0.0699 |
| Weighted residual factors for significantly intense reflections | 0.1964 |
| Weighted residual factors for all reflections included in the refinement | 0.231 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
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