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Information card for entry 4512530
Preview
| Coordinates | 4512530.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C44 H28 Co3 N4 O14 |
|---|---|
| Calculated formula | C44 H28 Co3 N4 O14 |
| 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 | 9.65 ± 0.006 Å |
| b | 17.27 ± 0.012 Å |
| c | 18.274 ± 0.012 Å |
| α | 99.057 ± 0.011° |
| β | 90.485 ± 0.009° |
| γ | 106.122 ± 0.01° |
| Cell volume | 2885 ± 3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.1626 |
| Residual factor for significantly intense reflections | 0.0898 |
| Weighted residual factors for significantly intense reflections | 0.2159 |
| Weighted residual factors for all reflections included in the refinement | 0.2484 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.989 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179672 (current) | 2016-03-24 | cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/25. |
4512530.cif |
| 138036 | 2015-06-05 | cif/ Updating files of 4512530, 4512531, 4512532 Original log message: Adding full bibliography for 4512530--4512532.cif. |
4512530.cif |
| 129716 | 2015-01-17 | cif/ Adding structures of 4512530 via cif-deposit CGI script. |
4512530.cif |
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Users of the data should acknowledge the original authors of the
structural data.