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Information card for entry 4512531
Preview
| Coordinates | 4512531.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27.25 H22.5 Co2 N2 O12 |
|---|---|
| Calculated formula | C27.25 H16 Co2 N2 O12 |
| Title of publication | Metal‒Organic Frameworks from Divalent Metals and 1,4-Benzenedicarboxylate with Bidentate Pyridine-N-oxide Co-ligands |
| Authors of publication | Munn, Alexis S.; Amabilino, Silvia; Stevens, Thomas W.; Daniels, Luke M.; Clarkson, Guy J.; Millange, Franck; Lennox, Matthew J.; Düren, Tina; Bourelly, Sandrine; Llewellyn, Philip L.; Walton, Richard I. |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2015 |
| Journal volume | 15 |
| Journal issue | 2 |
| Pages of publication | 891 |
| a | 11.3407 ± 0.0005 Å |
| b | 11.3847 ± 0.0009 Å |
| c | 13.1908 ± 0.0007 Å |
| α | 88.868 ± 0.006° |
| β | 69.339 ± 0.005° |
| γ | 85.726 ± 0.005° |
| Cell volume | 1589.07 ± 0.18 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1518 |
| Residual factor for significantly intense reflections | 0.1072 |
| Weighted residual factors for significantly intense reflections | 0.2674 |
| Weighted residual factors for all reflections included in the refinement | 0.2947 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4512531.cif |
| 138036 | 2015-06-05 | cif/ Updating files of 4512530, 4512531, 4512532 Original log message: Adding full bibliography for 4512530--4512532.cif. |
4512531.cif |
| 129717 | 2015-01-17 | cif/ Adding structures of 4512531 via cif-deposit CGI script. |
4512531.cif |
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Users of the data should acknowledge the original authors of the
structural data.