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Information card for entry 7208116
Preview
| Coordinates | 7208116.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C36 H40 Mn N4 O19 |
|---|---|
| Calculated formula | C36 H40 Mn N4 O19 |
| SMILES | [Mn]12([n]3cccc4ccc5ccc[n]1c5c34)([n]1cccc3ccc4ccc[n]2c4c13)([OH2])[OH2].C1(C(C(C(C(C(=O)[O-])C1C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)[O-].O.O.O.O.O |
| Title of publication | Novel complexes constructed by flexible 1,2,3,4,5,6- cyclohexanehexacarboxylate and transition metal ions – From 0D mononuclear to 3D porous coordination polymers |
| Authors of publication | Xing, Feifei; Bai, Yueling; He, Xiang; Jia, Juan; Zhou, Dong; Shao, Min; Zhu, Shourong |
| Journal of publication | CrystEngComm |
| Year of publication | 2012 |
| Journal volume | 14 |
| Journal issue | 13 |
| Pages of publication | 4312 |
| a | 13.138 ± 0.003 Å |
| b | 11.446 ± 0.002 Å |
| c | 26.722 ± 0.005 Å |
| α | 90° |
| β | 104.23° |
| γ | 90° |
| Cell volume | 3895.1 ± 1.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.138 |
| Residual factor for significantly intense reflections | 0.0608 |
| Weighted residual factors for significantly intense reflections | 0.1222 |
| Weighted residual factors for all reflections included in the refinement | 0.1476 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.849 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301863 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/20/ Each referenced PubChem compound corresponds to the full crystal structure. |
7208116.cif |
| 180412 | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/81. |
7208116.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7208116.cif |
| 62793 | 2012-07-09 | cif/ Adding structures of 7208108, 7208109, 7208110, 7208111, 7208112, 7208113, 7208114, 7208115, 7208116 via cif-deposit CGI script. |
7208116.cif |
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