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Information card for entry 2018354
Preview
| Coordinates | 2018354.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | decaaquabis(μ~3~-4-hydroxypyridine-2,6-dicarboxylato)bis(4-hydroxypyridine- 2,6-dicarboxylato)tetramanganese(II) 3.34-hydrate |
|---|---|
| Formula | C28 H38.68 Mn4 N4 O33.34 |
| Calculated formula | C28 H38.676 Mn4 N4 O33.338 |
| Title of publication | Decaaquabis(μ~3~-4-hydroxypyridine-2,6-dicarboxylato)bis(4-hydroxypyridine-2,6-dicarboxylato)tetramanganese(II) 3.34-hydrate: a new three-dimensional open metal‒organic framework based on a tetranuclear Mn^II^ complex of chelidamic acid and undecameric stitching water clusters |
| Authors of publication | Mirzaei, M.; Lippolis, V.; Eshtiagh-Hosseini, H.; Mahjoobizadeh, M. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 1 |
| Pages of publication | m7 - m11 |
| a | 6.6765 ± 0.0003 Å |
| b | 10.9615 ± 0.0005 Å |
| c | 14.1513 ± 0.0007 Å |
| α | 102.309 ± 0.001° |
| β | 95.097 ± 0.001° |
| γ | 91.581 ± 0.001° |
| Cell volume | 1006.69 ± 0.08 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 | 0.046 |
| Residual factor for significantly intense reflections | 0.0355 |
| Weighted residual factors for significantly intense reflections | 0.0893 |
| Weighted residual factors for all reflections included in the refinement | 0.0955 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176760 (current) | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2018354.cif |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2018354.cif |
| 32339 | 2012-02-08 | ../uploads/cif-deposit/cod/cif Adding structures of 2018354 via cif-deposit CGI script. |
2018354.cif |
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Users of the data should acknowledge the original authors of the
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