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Information card for entry 8104654
Preview
| Coordinates | 8104654.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H14 Cu N2 O4 S2 |
|---|---|
| Calculated formula | C22 H14 Cu N2 O4 S2 |
| Title of publication | Crystal structure of (1,10-phenanthroline-κ2 N,N′)-bis(3-thiophenecarboxylato-κ2 O,O′)copper(II), C22H14N2O4S2Cu |
| Authors of publication | Zhang, Zhongyu; Men, Xiaoxia; Han, Bing; Sun, Chunyan |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2021 |
| Journal volume | 236 |
| Journal issue | 5 |
| Pages of publication | 1019 - 1020 |
| a | 20.171 ± 0.007 Å |
| b | 9.684 ± 0.003 Å |
| c | 10.372 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2026 ± 1.2 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273.15 K |
| Number of distinct elements | 6 |
| 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 | 0.0388 |
| Residual factor for significantly intense reflections | 0.0334 |
| Weighted residual factors for significantly intense reflections | 0.0875 |
| Weighted residual factors for all reflections included in the refinement | 0.0908 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 273482 (current) | 2022-03-07 | cif/ Adding structures of 8104654 via cif-deposit CGI script. |
8104654.cif |
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