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Information card for entry 7700500
Preview
| Coordinates | 7700500.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C28 H24 N6 Ni O16 |
|---|---|
| Calculated formula | C28 H24 N6 Ni O16 |
| Title of publication | Exceptionally slow magnetic relaxation in a mononuclear hexacoordinate Ni(ii) complex. |
| Authors of publication | Titiš, Ján; Chrenková, Veronika; Rajnák, Cyril; Moncol, Ján; Valigura, Dušan; Boča, Roman |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2019 |
| Journal volume | 48 |
| Journal issue | 31 |
| Pages of publication | 11647 - 11650 |
| a | 7.9708 ± 0.0002 Å |
| b | 13.7985 ± 0.0004 Å |
| c | 14.68 ± 0.0004 Å |
| α | 96.452 ± 0.002° |
| β | 103.366 ± 0.002° |
| γ | 100.715 ± 0.002° |
| Cell volume | 1522.94 ± 0.07 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0316 |
| Residual factor for significantly intense reflections | 0.0308 |
| Weighted residual factors for significantly intense reflections | 0.0799 |
| Weighted residual factors for all reflections included in the refinement | 0.0805 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation wavelength | 1.54186 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301878 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/70/ Each referenced PubChem compound corresponds to the full crystal structure. |
7700500.cif |
| 224367 | 2019-11-08 | cif/ Updating files of 7700500 Original log message: Adding full bibliography for 7700500.cif. |
7700500.cif |
| 216946 | 2019-07-11 | cif/ Adding structures of 7700500 via cif-deposit CGI script. |
7700500.cif |
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Users of the data should acknowledge the original authors of the
structural data.