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Information card for entry 4504479
Preview
| Coordinates | 4504479.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | bis(imidazolium 2,4,6-tricarboxypyridine) copper(II) trihydrate |
|---|---|
| Formula | C22 H22 Cu N6 O15 |
| Calculated formula | C22 H16 Cu N6 O15 |
| Title of publication | Bis(imidazolium 2,4,6-tricarboxypyridine) Metal(II) Complexes: Molecular Building Blocks that Generate Isomorphous Hydrogen-Bonded Frameworks |
| Authors of publication | Yigit, Mehmet V.; Biyikli, Kasim; Moulton, Brian; MacDonald, John C. |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2006 |
| Journal volume | 6 |
| Journal issue | 1 |
| Pages of publication | 63 |
| a | 16.0819 ± 0.0015 Å |
| b | 18.6487 ± 0.0017 Å |
| c | 9.8993 ± 0.0009 Å |
| α | 90° |
| β | 112.3 ± 0.001° |
| γ | 90° |
| Cell volume | 2746.8 ± 0.4 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0524 |
| Residual factor for significantly intense reflections | 0.0456 |
| Weighted residual factors for significantly intense reflections | 0.1226 |
| Weighted residual factors for all reflections included in the refinement | 0.1279 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179579 (current) | 2016-03-24 | cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/44. |
4504479.cif |
| 171491 | 2015-12-13 | cif/ (antanas@echidna.ibt.lt) Removing surrounding qoutes ("'") from the _chemical_name_systematic tag values in multiple entries in range 4. |
4504479.cif |
| 120110 | 2014-07-12 | Adding DOIs to range 4/50 structures. | 4504479.cif |
| 47372 | 2012-03-26 | ../uploads/cif-deposit/cod/cif Adding structures of 4504479 via cif-deposit CGI script. |
4504479.cif |
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Users of the data should acknowledge the original authors of the
structural data.