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Information card for entry 2005140
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| Coordinates | 2005140.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | Dicyanamidebis(1,10-phenanthroline)copper(II) Tricyanomethanide. |
|---|---|
| Formula | C30 H16 Cu N10 |
| Calculated formula | C30 H16 Cu N10 |
| SMILES | [Cu]12(N=C=NC#N)([n]3c4c(ccc3)ccc3c4[n]1ccc3)[n]1c3c(ccc1)ccc1c3[n]2ccc1.C(C#N)(C#N)=C=[N-] |
| Title of publication | (Dicyanamido)bis(1,10-phenanthroline)copper(II) Tricyanomethanide |
| Authors of publication | Potočňák, I.; Dunaj-Jurčo, M.; Mikloš, D.; Jäger, L. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1996 |
| Journal volume | 52 |
| Journal issue | 7 |
| Pages of publication | 1653 - 1655 |
| a | 10.08 ± 0.007 Å |
| b | 12.972 ± 0.007 Å |
| c | 19.874 ± 0.013 Å |
| α | 90° |
| β | 100.22 ± 0.06° |
| γ | 90° |
| Cell volume | 2557 ± 3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.1095 |
| Residual factor for significantly intense reflections | 0.0487 |
| Weighted residual factors for all reflections | 0.1284 |
| Weighted residual factors for significantly intense reflections | 0.1013 |
| Goodness-of-fit parameter for all reflections | 1.022 |
| Goodness-of-fit parameter for significantly intense reflections | 1.145 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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