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Information card for entry 2019401
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| Coordinates | 2019401.cif |
|---|---|
| Structure factors | 2019401.hkl |
| Original IUCr paper | HTML |
| Chemical name | Tetrakis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')di-μ~2~-carbonato-κ^4^<i>O</i>:<i>O</i>'-tetra-μ~3~-oxido-tetracobalt(III) pentadecahydrate |
|---|---|
| Formula | C42 H62 Co4 N8 O25 |
| Calculated formula | C42 H58 Co4 N8 O25 |
| Title of publication | A two-dimensional hydrogen-bonded water layer in the structure of a cobalt(III) cubane complex |
| Authors of publication | Qi, Ji; Zhai, Xiang-Sheng; Zhu, Hong-Lin; Lin, Jian-Li |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 2 |
| Pages of publication | 198 - 201 |
| a | 30.712 ± 0.006 Å |
| b | 16.82 ± 0.003 Å |
| c | 10.588 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5469.5 ± 1.8 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor for all reflections | 0.0677 |
| Residual factor for significantly intense reflections | 0.0424 |
| Weighted residual factors for significantly intense reflections | 0.1061 |
| Weighted residual factors for all reflections included in the refinement | 0.1188 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.987 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
2019401.cif 2019401.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. |
2019401.cif 2019401.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. |
2019401.cif 2019401.hkl |
| 104764 | 2014-03-11 | cif/ hkl/ Adding structures of 2019401 via cif-deposit CGI script. |
2019401.cif 2019401.hkl |
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Users of the data should acknowledge the original authors of the
structural data.