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Information card for entry 7042994
Preview
| Coordinates | 7042994.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H13.5 O4.75 Zn |
|---|---|
| Calculated formula | C10 H12 O4.75 Zn |
| Title of publication | Bicyclo[2.2.2]octane-1,4-dicarboxylic acid: Towards Transparent Metal-Organic Frameworks. |
| Authors of publication | Llabres, Pedro; Pitarch-Jarque, Javier; Ballesteros-Garrido, Rafael; Abarca, Belén; Ballesteros, Rafael; García-España, Enrique |
| Journal of publication | Dalton Trans. |
| Year of publication | 2017 |
| a | 6.1355 ± 0.0004 Å |
| b | 13.0213 ± 0.0007 Å |
| c | 14.8255 ± 0.0007 Å |
| α | 90° |
| β | 91.798 ± 0.005° |
| γ | 90° |
| Cell volume | 1183.86 ± 0.11 Å3 |
| Cell temperature | 119.9 ± 0.14 K |
| Ambient diffraction temperature | 119.9 ± 0.14 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | I 1 2/a 1 |
| Hall space group symbol | -I 2ya |
| Residual factor for all reflections | 0.0432 |
| Residual factor for significantly intense reflections | 0.0385 |
| Weighted residual factors for significantly intense reflections | 0.0925 |
| Weighted residual factors for all reflections included in the refinement | 0.0975 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 196732 (current) | 2017-05-18 | cif/ Adding structures of 7042994, 7042995, 7042996, 7042997 via cif-deposit CGI script. |
7042994.cif |
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Users of the data should acknowledge the original authors of the
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