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Information card for entry 7211732
Preview
| Coordinates | 7211732.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C40 H32 Mn2 N4 O15 S |
|---|---|
| Calculated formula | C40 H32 Mn2 N4 O15 S |
| SMILES | [Mn]1([OH2])([OH2])([OH2])(OC(=O)c2c(ccc(S(=O)(=O)c3ccc4c(c3)C(=O)O[Mn]3([OH2])([OH2])(OC4=O)[n]4cccc5ccc6ccc[n]3c6c45)c2)C(=O)[O-])[n]2cccc3ccc4ccc[n]1c4c23 |
| Title of publication | A versatile V-shaped tetracarboxylate building block for constructing mixed-ligand Co(ii) and Mn(ii) complexes incorporating various N-donor co-ligands |
| Authors of publication | Fu, Feng; Li, Dong-Sheng; Wu, Ya-Pan; Gao, Xiao-Ming; Du*, Miao; Tang, Long; Zhang, Xiao-Ning; Meng, Cai-Xia |
| Journal of publication | CrystEngComm |
| Year of publication | 2010 |
| Journal volume | 12 |
| Journal issue | 4 |
| Pages of publication | 1227 |
| a | 7.3235 ± 0.0006 Å |
| b | 23.2694 ± 0.0018 Å |
| c | 23.6456 ± 0.0018 Å |
| α | 90° |
| β | 98.442 ± 0.001° |
| γ | 90° |
| Cell volume | 3985.9 ± 0.5 Å3 |
| Cell temperature | 291 ± 2 K |
| Ambient diffraction temperature | 291 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0569 |
| Residual factor for significantly intense reflections | 0.0395 |
| Weighted residual factors for significantly intense reflections | 0.1019 |
| Weighted residual factors for all reflections included in the refinement | 0.1129 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301864 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/21/ Each referenced PubChem compound corresponds to the full crystal structure. |
7211732.cif |
| 180448 | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/17. |
7211732.cif |
| 92323 | 2014-01-12 | cif/ Adding structures of 7211730, 7211731, 7211732, 7211733, 7211734 via cif-deposit CGI script. |
7211732.cif |
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Users of the data should acknowledge the original authors of the
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