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Information card for entry 4512550
Preview
| Coordinates | 4512550.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C80 H60 Mn2 N8 O22 |
|---|---|
| Calculated formula | C80 H60 Mn2 N8 O22 |
| SMILES | [n]12cccc3ccc4ccc[n](c4c13)[Mn]132([n]2cccc4ccc5c([n]1ccc5)c24)[O]=C(c1ccc(C(=O)O)cc1c1cc(cc(c1)C(=O)[O-])C(=O)O)O[Mn]12([n]4cccc5ccc6ccc[n]1c6c45)([n]1cccc4ccc5ccc[n]2c5c14)[O]=C(c1ccc(C(=O)O)cc1c1cc(cc(c1)C(=O)[O-])C(=O)O)O3.O.O.O.O.O.O |
| Title of publication | Five Mn(II) Coordination Polymers Based on 2,3′,5,5′-Biphenyl Tetracarboxylic Acid: Syntheses, Structures, and Magnetic Properties |
| Authors of publication | Zhao, Ying; Chang, Xin-Hong; Liu, Guang-Zhen; Ma, Lu-Fang; Wang, Li-Ya |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2015 |
| Journal volume | 15 |
| Journal issue | 2 |
| Pages of publication | 966 |
| a | 13.1418 ± 0.0005 Å |
| b | 20.3611 ± 0.0007 Å |
| c | 14.6089 ± 0.0007 Å |
| α | 90° |
| β | 110.305 ± 0.006° |
| γ | 90° |
| Cell volume | 3666.2 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.1409 |
| Residual factor for significantly intense reflections | 0.0675 |
| Weighted residual factors for significantly intense reflections | 0.1438 |
| Weighted residual factors for all reflections included in the refinement | 0.1845 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.007 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179672 (current) | 2016-03-24 | cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/25. |
4512550.cif |
| 132753 | 2015-03-04 | cif/ Updating files of 4512547, 4512548, 4512549, 4512550 Original log message: Adding full bibliography for 4512547--4512550.cif. |
4512550.cif |
| 129730 | 2015-01-17 | cif/ Adding structures of 4512550 via cif-deposit CGI script. |
4512550.cif |
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