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Information card for entry 7112263
Preview
| Coordinates | 7112263.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H36 Cl5 N2 Nb |
|---|---|
| Calculated formula | C27 H36 Cl5 N2 Nb |
| Title of publication | A structurally-characterized NbCl5-NHC adduct |
| Authors of publication | Marco Bortoluzzi; Eleonora Ferretti; Fabio Marchetti; Guido Pampaloni; Stefano Zacchini |
| Journal of publication | Chem.Commun. |
| Year of publication | 2014 |
| Journal volume | 50 |
| Pages of publication | 4472 |
| a | 10.225 ± 0.0017 Å |
| b | 17.76 ± 0.003 Å |
| c | 17.334 ± 0.003 Å |
| α | 90° |
| β | 103.682 ± 0.002° |
| γ | 90° |
| Cell volume | 3058.5 ± 0.9 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.131 |
| Residual factor for significantly intense reflections | 0.1049 |
| Weighted residual factors for significantly intense reflections | 0.196 |
| Weighted residual factors for all reflections included in the refinement | 0.2121 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.121 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
structural data.