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Information card for entry 7042996
Preview
| Coordinates | 7042996.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C45 H69 N3 O16 Zn4 |
|---|---|
| Calculated formula | C40 H58 N2 O15 Zn4 |
| 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 | 12.7557 ± 0.0004 Å |
| b | 12.7557 ± 0.0004 Å |
| c | 30.637 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 4317 ± 0.2 Å3 |
| Cell temperature | 120 ± 1 K |
| Ambient diffraction temperature | 120 ± 1 K |
| Number of distinct elements | 5 |
| Space group number | 152 |
| Hermann-Mauguin space group symbol | P 31 2 1 |
| Hall space group symbol | P 31 2" |
| Residual factor for all reflections | 0.0758 |
| Residual factor for significantly intense reflections | 0.0636 |
| Weighted residual factors for significantly intense reflections | 0.1646 |
| Weighted residual factors for all reflections included in the refinement | 0.1745 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
| 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. |
7042996.cif |
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Users of the data should acknowledge the original authors of the
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