Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7036017
Preview
| Coordinates | 7036017.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C57 H59 B4 F16 Fe2 N27 O |
|---|---|
| Calculated formula | C57 H59 B4 F16 Fe2 N27 O |
| Title of publication | Systematic study of the synthesis and coordination of 2-(1,2,3-triazol-4-yl)-pyridine to Fe(ii), Ni(ii) and Zn(ii); ion-induced folding into helicates, mesocates and larger architectures, and application to magnetism and self-selection. |
| Authors of publication | Wu, Nan; Melan, Caroline F. C.; Stevenson, Kristina A.; Fleischel, Olivier; Guo, Huan; Habib, Fatemah; Holmberg, Rebecca J.; Murugesu, Muralee; Mosey, Nicholas J.; Nierengarten, Hélène; Petitjean, Anne |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 33 |
| Pages of publication | 14991 - 15005 |
| a | 13.8603 ± 0.0005 Å |
| b | 17.902 ± 0.0007 Å |
| c | 17.9413 ± 0.0007 Å |
| α | 109.535 ± 0.002° |
| β | 101.234 ± 0.003° |
| γ | 103.518 ± 0.002° |
| Cell volume | 3894 ± 0.3 Å3 |
| Cell temperature | 180 ± 2 K |
| Ambient diffraction temperature | 180 ± 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 | 0.0717 |
| Residual factor for significantly intense reflections | 0.0588 |
| Weighted residual factors for significantly intense reflections | 0.1546 |
| Weighted residual factors for all reflections included in the refinement | 0.1641 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301849 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/03/ Each referenced PubChem compound corresponds to the full crystal structure. |
7036017.cif |
| 161763 | 2015-10-09 | cif/ Updating files of 7036017 Original log message: Adding full bibliography for 7036017.cif. |
7036017.cif |
| 152674 | 2015-08-01 | cif/ Adding structures of 7036017 via cif-deposit CGI script. |
7036017.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.