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Information card for entry 2019468
Preview
| Coordinates | 2019468.cif |
|---|---|
| Structure factors | 2019468.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[[aqua(μ-benzene-1,2-dicarboxylato-κ^3^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1^)(μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>')cobalt(II)] trihydrate] |
|---|---|
| Formula | C18 H20 Co N2 O8 |
| Calculated formula | C18 H19 Co N2 O7.5 |
| Title of publication | The structure of {[Co(pht)(bpy)(H~2~O)]·3H~2~O}~<i>n~</i> (pht is phthalate and bpy is 4,4'-bipyridine) and the role of solvent water clusters in structure stability |
| Authors of publication | Harvey, Miguel Angel; Suarez, Sebastián; Doctorovich, Fabio; Cukiernik, Fabio D.; Baggio, Ricardo |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 5 |
| Pages of publication | 440 - 444 |
| a | 11.0975 ± 0.0006 Å |
| b | 8.4039 ± 0.0003 Å |
| c | 11.3732 ± 0.0006 Å |
| α | 90° |
| β | 115.564 ± 0.007° |
| γ | 90° |
| Cell volume | 956.85 ± 0.1 Å3 |
| Cell temperature | 294 ± 2 K |
| Ambient diffraction temperature | 294 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0377 |
| Residual factor for significantly intense reflections | 0.0325 |
| Weighted residual factors for significantly intense reflections | 0.0794 |
| Weighted residual factors for all reflections included in the refinement | 0.0836 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.954 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181864 (current) | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/94. |
2019468.cif 2019468.hkl |
| 180862 | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/94. |
2019468.cif 2019468.hkl |
| 176760 | 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. |
2019468.cif 2019468.hkl |
| 115938 | 2014-06-06 | cif/ Updating files of 2019468 Original log message: Adding full bibliography for 2019468.cif. |
2019468.cif 2019468.hkl |
| 109375 | 2014-04-11 | cif/ hkl/ Adding structures of 2019468 via cif-deposit CGI script. |
2019468.cif 2019468.hkl |
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