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Information card for entry 2312520
Preview
| Coordinates | 2312520.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | 1-Aza-4-azoniabicyclo[2.2.2]octane 4-hydroxybenzoate |
|---|---|
| Formula | C13 H18 N2 O3 |
| Calculated formula | C13 H18 N2 O3 |
| Title of publication | Supramolecular hydrogen-bonded networks formed from copper(II) carboxylate dimers. |
| Authors of publication | Abrahams, Brendan F.; Commons, Christopher J.; Hudson, Timothy A.; Sanchez-Arlt, Robin |
| Journal of publication | Acta crystallographica. Section C, Structural chemistry |
| Year of publication | 2024 |
| Journal volume | 80 |
| Journal issue | 6 |
| a | 15.3994 ± 0.0005 Å |
| b | 10.6592 ± 0.0003 Å |
| c | 16.9261 ± 0.0006 Å |
| α | 90° |
| β | 110.424 ± 0.004° |
| γ | 90° |
| Cell volume | 2603.68 ± 0.16 Å3 |
| Cell temperature | 130 ± 0.1 K |
| Ambient diffraction temperature | 130 ± 0.1 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0688 |
| Residual factor for significantly intense reflections | 0.0441 |
| Weighted residual factors for significantly intense reflections | 0.1053 |
| Weighted residual factors for all reflections included in the refinement | 0.1201 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.011 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 292001 (current) | 2024-05-23 | cif/ Adding structures of 2312509, 2312510, 2312511, 2312512, 2312513, 2312514, 2312515, 2312516, 2312517, 2312518, 2312519, 2312520 via cif-deposit CGI script. |
2312520.cif |
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Users of the data should acknowledge the original authors of the
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