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Information card for entry 7234246
Preview
| Coordinates | 7234246.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H54 Cu N2 O2 S2 |
|---|---|
| Calculated formula | C42 H54 Cu N2 O2 S2 |
| Title of publication | Electronic, charge and magnetic interactions in three-centre systems |
| Authors of publication | Alexa Paretzki; Ralph Hubner; Shengfa Ye; Martina Bubrin; Sara Kamper; Wolfgang Kaim |
| Journal of publication | Journal of Materials Chemistry C |
| Year of publication | 2015 |
| Journal volume | 3 |
| Pages of publication | 4801 - 4809 |
| a | 5.8774 ± 0.0003 Å |
| b | 12.9817 ± 0.0011 Å |
| c | 13.746 ± 0.0012 Å |
| α | 106.244 ± 0.003° |
| β | 97.87 ± 0.005° |
| γ | 98.955 ± 0.005° |
| Cell volume | 976.48 ± 0.13 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.2425 |
| Residual factor for significantly intense reflections | 0.1117 |
| Weighted residual factors for significantly intense reflections | 0.1789 |
| Weighted residual factors for all reflections included in the refinement | 0.2284 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 218932 (current) | 2019-09-30 | cif/ Adding structures of 7234246, 7234247, 7234248 via cif-deposit CGI script. |
7234246.cif |
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Users of the data should acknowledge the original authors of the
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