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Information card for entry 7223362
Preview
| Coordinates | 7223362.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C42 H44 Cl2 Cu2 N10 O8 |
|---|---|
| Calculated formula | C42 H44 Cl2 Cu2 N10 O8 |
| Title of publication | Self-assembly, binding ability and magnetic properties of dicopper(ii) pyrazolenophanes |
| Authors of publication | Barros, Wdeson P.; Luisa Calatayud, M.; Lloret, Francesc; Julve, Miguel; Marino, Nadia; De Munno, Giovanni; Stumpf, Humberto O.; Ruiz-García, Rafael; Castro, Isabel |
| Journal of publication | CrystEngComm |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 3 |
| Pages of publication | 437 |
| a | 13.841 ± 0.0013 Å |
| b | 8.0261 ± 0.0008 Å |
| c | 39.946 ± 0.003 Å |
| α | 90° |
| β | 96.565 ± 0.004° |
| γ | 90° |
| Cell volume | 4408.5 ± 0.7 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.1523 |
| Residual factor for significantly intense reflections | 0.0825 |
| Weighted residual factors for significantly intense reflections | 0.2243 |
| Weighted residual factors for all reflections included in the refinement | 0.2595 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.122 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301865 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure. |
7223362.cif |
| 175950 | 2016-02-05 | cif/ Updating files of 7223359, 7223360, 7223361, 7223362 Original log message: Adding full bibliography for 7223359--7223362.cif. |
7223362.cif |
| 170581 | 2015-11-28 | cif/ Adding structures of 7223359, 7223360, 7223361, 7223362 via cif-deposit CGI script. |
7223362.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.