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Information card for entry 2214246
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| Coordinates | 2214246.cif |
|---|---|
| Structure factors | 2214246.hkl |
| Original IUCr paper | HTML |
| Chemical name | Azido{2-[2-(piperidin-1-yl)ethyliminomethyl]-1-naphtholato}nickel(II) |
|---|---|
| Formula | C18 H21 N5 Ni O |
| Calculated formula | C18 H21 N5 Ni O |
| SMILES | [Ni]12([N](=Cc3c(O1)ccc1ccccc31)CC[N]12CCCCC1)N=N#N |
| Title of publication | Azido{2-[2-(piperidin-1-yl)ethyliminomethyl]-1-naphtholato}nickel(II) |
| Authors of publication | Zhou, Zhi; Xiao, Zun-Hong |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2007 |
| Journal volume | 63 |
| Journal issue | 7 |
| Pages of publication | m2012 - m2012 |
| a | 7.5298 ± 0.0012 Å |
| b | 13.268 ± 0.002 Å |
| c | 33.912 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3388 ± 0.9 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0746 |
| Residual factor for significantly intense reflections | 0.0386 |
| Weighted residual factors for significantly intense reflections | 0.0824 |
| Weighted residual factors for all reflections included in the refinement | 0.0965 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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