Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7715916
Preview
| Coordinates | 7715916.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C43 H62 N3 Ni O5 |
|---|---|
| Calculated formula | C43 H62 N3 Ni O5 |
| SMILES | [Ni]123(Oc4c(O1)c(ccc4C(C)(C)C)C(C)(C)C)(Oc1c(O2)c(ccc1C(C)(C)C)C(C)(C)C)[n]1ccccc1C=[N]3C1CC([N](=O)C(C1)(C)C)(C)C |
| Title of publication | Valence tautomeric interconversion of bis-dioxolene cobalt complex with imino-pyridine functionalized by TEMPO moiety in solid solutions with isostructural nickel analogue: phase transitions and monocrystal destruction. |
| Authors of publication | Bubnov, Michael P.; Zolotukhin, Alexey A.; Fukin, Georgy K.; Rumyantcev, Roman V.; Bogomyakov, Artem S. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2024 |
| Journal volume | 53 |
| Journal issue | 21 |
| Pages of publication | 9151 - 9160 |
| a | 10.7157 ± 0.0005 Å |
| b | 15.5691 ± 0.0008 Å |
| c | 26.9871 ± 0.0013 Å |
| α | 90° |
| β | 100.689 ± 0.0009° |
| γ | 90° |
| Cell volume | 4424.2 ± 0.4 Å3 |
| Cell temperature | 240 ± 2 K |
| Ambient diffraction temperature | 240 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0624 |
| Residual factor for significantly intense reflections | 0.0462 |
| Weighted residual factors for significantly intense reflections | 0.1154 |
| Weighted residual factors for all reflections included in the refinement | 0.1246 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 293143 (current) | 2024-07-05 | cif/ Updating files of 7715910, 7715911, 7715912, 7715913, 7715914, 7715915, 7715916, 7715917, 7715918 Original log message: Adding full bibliography for 7715910--7715918.cif. |
7715916.cif |
| 291446 | 2024-05-02 | cif/ Adding structures of 7715910, 7715911, 7715912, 7715913, 7715914, 7715915, 7715916, 7715917, 7715918 via cif-deposit CGI script. |
7715916.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.