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Information card for entry 1542884
Preview
| Coordinates | 1542884.cif |
|---|---|
| Structure factors | 1542884.hkl |
| Original IUCr paper | HTML |
| Chemical name | (<i>tert</i>-Butyl isocyanide-κ<i>C</i>)trichloridogallium(III) |
|---|---|
| Formula | C5 H9 Cl3 Ga N |
| Calculated formula | C5 H9 Cl3 Ga N |
| SMILES | [Ga](Cl)(Cl)(Cl)C#[N]C(C)(C)C |
| Title of publication | (<i>tert</i>-Butyl isocyanide-κ<i>C</i>)trichloridogallium(III) |
| Authors of publication | Bourque, Jeremy L.; Tashkandi, Nada Y.; Baines, Kim M. |
| Journal of publication | IUCrData |
| Year of publication | 2016 |
| Journal volume | 1 |
| Journal issue | 3 |
| Pages of publication | x160389 |
| a | 6.517 ± 0.0012 Å |
| b | 19.393 ± 0.003 Å |
| c | 8.5991 ± 0.0016 Å |
| α | 90° |
| β | 102.287 ± 0.005° |
| γ | 90° |
| Cell volume | 1061.9 ± 0.3 Å3 |
| Cell temperature | 110 K |
| Ambient diffraction temperature | 110 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0223 |
| Residual factor for significantly intense reflections | 0.0211 |
| Weighted residual factors for significantly intense reflections | 0.0536 |
| Weighted residual factors for all reflections included in the refinement | 0.0545 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.108 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181861 (current) | 2016-04-06 | hkl/ (antanas@echidna.ibt.lt) Adding IUCr specific svn headers to multiple entries in range 1. |
1542884.cif 1542884.hkl |
| 178211 | 2016-03-15 | cif/ hkl/ Adding structures of 1542884 via cif-deposit CGI script. |
1542884.cif 1542884.hkl |
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Users of the data should acknowledge the original authors of the
structural data.