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Information card for entry 2004895
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| Coordinates | 2004895.cif |
|---|---|
| Structure factors | 2004895.hkl |
| Original IUCr paper | HTML |
| Chemical name | bis[(benzoato-O,O')bis(nicotinamide-N)]copper(II) |
|---|---|
| Formula | C26 H22 Cu N4 O6 |
| Calculated formula | C26 H22 Cu N4 O6 |
| SMILES | [Cu]12([n]3cc(ccc3)C(=O)N)([O]=C(c3ccccc3)O1)([n]1cccc(c1)C(=O)N)[O]=C(c1ccccc1)O2 |
| Title of publication | Bis(benzoato-<i>O</i>,<i>O</i>')bis(nicotinamide-<i>N</i>)copper(II) |
| Authors of publication | Leban, I.; Segedin, P.; Gruber, K. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1996 |
| Journal volume | 52 |
| Journal issue | 5 |
| Pages of publication | 1096 - 1098 |
| a | 20.054 ± 0.004 Å |
| b | 13.005 ± 0.003 Å |
| c | 9.611 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2506.6 ± 0.9 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b c n |
| Hall space group symbol | -P 2n 2ab |
| Residual factor for all reflections | 0.1098 |
| Residual factor for significantly intense reflections | 0.0531 |
| Weighted residual factors for all reflections | 0.1785 |
| Weighted residual factors for significantly intense reflections | 0.1224 |
| Goodness-of-fit parameter for all reflections | 1.074 |
| Goodness-of-fit parameter for significantly intense reflections | 1.063 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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