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Information card for entry 7207122
Preview
| Coordinates | 7207122.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C54 H40 Cl2 Mn2 N8 O14 S2 |
|---|---|
| Calculated formula | C54 H40 Cl2 Mn2 N8 O14 S2 |
| Title of publication | In situ syntheses, crystal structures and magnetic properties of CuII and MnII coordination assemblies based on a novel heteroalicyclic dicarboxylate tecton and N-donor co-ligands |
| Authors of publication | Liu, Chun-Sen; Guo, Wei; Carolina Sañudo, E.; Chen, Min; Hu, Min; Du, Miao; Fang, Shao-Ming |
| Journal of publication | CrystEngComm |
| Year of publication | 2012 |
| Journal volume | 14 |
| Journal issue | 1 |
| Pages of publication | 160 |
| a | 13.9737 ± 0.0007 Å |
| b | 13.9846 ± 0.0006 Å |
| c | 16.1404 ± 0.0008 Å |
| α | 112.092 ± 0.004° |
| β | 98.552 ± 0.004° |
| γ | 104.588 ± 0.004° |
| Cell volume | 2722.1 ± 0.3 Å3 |
| Cell temperature | 294 ± 2 K |
| Ambient diffraction temperature | 294 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1294 |
| Residual factor for significantly intense reflections | 0.0511 |
| Weighted residual factors for significantly intense reflections | 0.0896 |
| Weighted residual factors for all reflections included in the refinement | 0.0966 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.981 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
7207122.cif |
| 180402 | 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 7/20/71. |
7207122.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7207122.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7207122.cif |
| 32483 | 2012-02-09 | ../uploads/cif-deposit/cod/cif Adding structures of 7207119, 7207120, 7207121, 7207122, 7207123 via cif-deposit CGI script. |
7207122.cif |
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