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Information card for entry 2021814
Preview
| Coordinates | 2021814.cif |
|---|---|
| Structure factors | 2021814.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>'){μ~3~-5-[(4-carboxyphenoxy)methyl]benzene-1,3-dicarboxylato-κ^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^:<i>O</i>^5^}manganese(II)] sesquihydrate] |
|---|---|
| Formula | C52 H42 Mn2 N4 O17 |
| Calculated formula | C52 H42 Mn2 N4 O17 |
| Title of publication | Two coordination polymers constructed by 5-[(4-carboxyphenoxy)methyl]benzene-1,3-dicarboxylic acid and 2,2′-bipyridine: syntheses, structures and luminescence properties |
| Authors of publication | He, Yuan-Chun; Xiao, Li-Yuan; Yuan, Zi-Han; Zhang, Jie; Wang, Yan; Xu, Na |
| Journal of publication | Acta Crystallographica Section C Structural Chemistry |
| Year of publication | 2019 |
| Journal volume | 75 |
| Journal issue | 12 |
| a | 9.9758 ± 0.0006 Å |
| b | 10.529 ± 0.0007 Å |
| c | 13.7445 ± 0.0009 Å |
| α | 91.623 ± 0.004° |
| β | 108.25 ± 0.003° |
| γ | 116.694 ± 0.003° |
| Cell volume | 1200.37 ± 0.14 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.0665 |
| Residual factor for significantly intense reflections | 0.0516 |
| Weighted residual factors for significantly intense reflections | 0.1491 |
| Weighted residual factors for all reflections included in the refinement | 0.1604 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.109 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 227691 (current) | 2019-11-13 | cif/ hkl/ Adding structures of 2021813, 2021814 via cif-deposit CGI script. |
2021814.cif 2021814.hkl |
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Users of the data should acknowledge the original authors of the
structural data.