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Information card for entry 2007248
Preview
| Coordinates | 2007248.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C40 H20 I2 N10 Zr |
|---|---|
| Calculated formula | C40 H20 I2 N10 Zr |
| SMILES | [Zr]123(I)(I)([n]4c5nc6[n]2c(nc2n1c(nc1[n]3c(nc4c4c5cccc4)c4c1cccc4)c1ccccc21)c1ccccc61)[N]#Cc1ccccc1C#N |
| Title of publication | (1,2-Benzenedicarbonitrile-κ<i>N</i>)diiodo(phthalocyaninato-κ^4^<i>N</i>)zirconium(IV) |
| Authors of publication | Kubiak, Ryszard; Ejsmont, Krzysztof |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1998 |
| Journal volume | 54 |
| Journal issue | 5 |
| Pages of publication | 572 - 574 |
| a | 9.965 ± 0.002 Å |
| b | 21.188 ± 0.004 Å |
| c | 16.792 ± 0.003 Å |
| α | 90° |
| β | 93.1 ± 0.03° |
| γ | 90° |
| Cell volume | 3540.2 ± 1.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.1228 |
| Residual factor for significantly intense reflections | 0.0467 |
| Weighted residual factors for all reflections | 0.0889 |
| Weighted residual factors for significantly intense reflections | 0.0741 |
| Goodness-of-fit parameter for all reflections | 1.018 |
| Goodness-of-fit parameter for significantly intense reflections | 1.151 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
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