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Information card for entry 7020807
Preview
| Coordinates | 7020807.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C60 H66 Cl2 Cu8 N8 O28 |
|---|---|
| Calculated formula | C60 H66 Cl2 Cu8 N8 O28 |
| Title of publication | Tuning the interactions from antiferro- to ferro-magnetic by molecular tailoring and manipulating |
| Authors of publication | Zhang, Xiaoying; Li, Bo; Tang, Jinkui; Tian, Jumei; Huang, Guolong; Zhang, Jingping |
| Journal of publication | Dalton Transactions |
| Year of publication | 2013 |
| Journal volume | 42 |
| Journal issue | 10 |
| Pages of publication | 3308 |
| a | 11.9615 ± 0.0014 Å |
| b | 23.642 ± 0.003 Å |
| c | 12.8979 ± 0.0015 Å |
| α | 90° |
| β | 102.362 ± 0.002° |
| γ | 90° |
| Cell volume | 3562.9 ± 0.7 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0964 |
| Residual factor for significantly intense reflections | 0.0528 |
| Weighted residual factors for significantly intense reflections | 0.1156 |
| Weighted residual factors for all reflections included in the refinement | 0.1348 |
| 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 | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301848 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/02/ Each referenced PubChem compound corresponds to the full crystal structure. |
7020807.cif |
| 179913 | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/08. |
7020807.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7020807.cif |
| 73674 | 2013-02-21 | cif/ Adding structures of 7020806, 7020807, 7020808, 7020809 via cif-deposit CGI script. |
7020807.cif |
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Users of the data should acknowledge the original authors of the
structural data.