Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7040747
Preview
Coordinates | 7040747.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C126 H228 N48 Ni16 O72 S4 |
---|---|
Calculated formula | C126 H208 N48 Ni16 O72 S4 |
Title of publication | In search of molecules displaying ferromagnetic exchange: multiple-decker Ni12 and Ni16 complexes from the use of pyridine-2-amidoxime. |
Authors of publication | Efthymiou, Constantinos G.; Cunha-Silva, Luís; Perlepes, Spyros P.; Brechin, Euan K.; Inglis, Ross; Evangelisti, Marco; Papatriantafyllopoulou, Constantina |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 43 |
Pages of publication | 17409 - 17419 |
a | 16.6742 ± 0.0009 Å |
b | 17.3665 ± 0.0017 Å |
c | 19.7073 ± 0.001 Å |
α | 106.175 ± 0.003° |
β | 113.293 ± 0.002° |
γ | 99.202 ± 0.004° |
Cell volume | 4792.3 ± 0.6 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0721 |
Residual factor for significantly intense reflections | 0.0461 |
Weighted residual factors for significantly intense reflections | 0.1148 |
Weighted residual factors for all reflections included in the refinement | 0.1371 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.138 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7040747.html
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.