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Information card for entry 2204504
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| Coordinates | 2204504.cif |
|---|---|
| Structure factors | 2204504.hkl |
| Original IUCr paper | HTML |
| Chemical name | {1,1'-[1,3-Propanediylbis(nitrilomethylidyne)]di-2-naphtholato}zinc(II) |
|---|---|
| Formula | C25 H20 N2 O2 Zn |
| Calculated formula | C25 H20 N2 O2 Zn |
| SMILES | c12C=[N]3[Zn]4(Oc1ccc1ccccc21)[N](=Cc1c(ccc2ccccc12)O4)CCC3 |
| Title of publication | {1,1'-[1,3-Propanediylbis(nitrilomethylidyne)]di-2-naphtholato}zinc(II), containing a square-planar ZnO~2~N~2~ group |
| Authors of publication | Wu, Chuan-Bao |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2004 |
| Journal volume | 60 |
| Journal issue | 11 |
| Pages of publication | m1580 - m1581 |
| a | 30.601 ± 0.004 Å |
| b | 8.4526 ± 0.0011 Å |
| c | 7.7465 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2003.7 ± 0.5 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 36 |
| Hermann-Mauguin space group symbol | C m c 21 |
| Hall space group symbol | C 2c -2 |
| Residual factor for all reflections | 0.0425 |
| Residual factor for significantly intense reflections | 0.0412 |
| Weighted residual factors for significantly intense reflections | 0.1222 |
| Weighted residual factors for all reflections included in the refinement | 0.124 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.106 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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