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Information card for entry 7223906
Preview
| Coordinates | 7223906.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C9 H9 Cu2 O9 |
|---|---|
| Calculated formula | C9 H5 Cu2 O9 |
| Title of publication | Cu(I)Cu(II)BTC, a microporous mixed-valence MOF via reduction of HKUST-1 |
| Authors of publication | Ahmed, Adham; Robertson, Craig; Steiner, Alexander; Whittles, Thomas; Ho, Alexandra; Dhanak, Vidod; Zhang, Haifei |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| a | 19.21 ± 0.0005 Å |
| b | 19.21 Å |
| c | 6.9158 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2552.1 ± 0.1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 129 |
| Hermann-Mauguin space group symbol | P 4/n m m :2 |
| Hall space group symbol | -P 4a 2a |
| Residual factor for all reflections | 0.0455 |
| Residual factor for significantly intense reflections | 0.0397 |
| Weighted residual factors for significantly intense reflections | 0.1015 |
| Weighted residual factors for all reflections included in the refinement | 0.105 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 174527 (current) | 2016-01-16 | cif/ Adding structures of 7223906 via cif-deposit CGI script. |
7223906.cif |
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Users of the data should acknowledge the original authors of the
structural data.