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Information card for entry 2019517
Preview
| Coordinates | 2019517.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | Poly[[bis(μ~6~-benzene-1,3,5-tricarboxylato-κ^4^<i>O</i>:<i>O</i>':<i>O</i>'':<i>O</i>''')bis(μ~3~-hydroxido-κ^2^<i>O</i>:<i>O</i>:<i>O</i>)bis(μ~2~-hydroxido-κ^2^<i>O</i>:<i>O</i>)bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')tetramanganese(II)] 1.32-hydrate] |
|---|---|
| Formula | C21 H13.26 Mn2 N2 O7.63 |
| Calculated formula | C21 H12 Mn2 N2 O7.628 |
| Title of publication | Zn/Mn‒MOFs with `S-shaped' packing modes |
| Authors of publication | Fan, Hong-Jie; Xu, Qian-Qian; Ren, Tie-Zhen; Xing, Xiang-Ying; Christensen, Kirsten E. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 5 |
| Pages of publication | 502 - 507 |
| a | 10.0433 ± 0.0001 Å |
| b | 10.8307 ± 0.0001 Å |
| c | 18.5159 ± 0.0001 Å |
| α | 90° |
| β | 93.779 ± 0.001° |
| γ | 90° |
| Cell volume | 2009.71 ± 0.03 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.033 |
| Residual factor for significantly intense reflections | 0.0298 |
| Weighted residual factors for significantly intense reflections | 0.0746 |
| Weighted residual factors for all reflections included in the refinement | 0.0766 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
2019517.cif |
| 115943 | 2014-06-06 | cif/ Updating files of 2019516, 2019517 Original log message: Adding full bibliography for 2019516--2019517.cif. |
2019517.cif |
| 111643 | 2014-04-25 | cif/ hkl/ Adding structures of 2019516, 2019517 via cif-deposit CGI script. |
2019517.cif |
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Users of the data should acknowledge the original authors of the
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