Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7713032
Preview
Coordinates | 7713032.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C27 H27 B3 Eu N21 O6 |
---|---|
Calculated formula | C27 H27 B3 Eu N21 O6 |
SMILES | [Eu]123456([n]7n(cc(N(=O)=O)c7)[BH](n7[n]1ccc7)n1[n]2ccc1)([n]1n(cc(N(=O)=O)c1)[BH](n1[n]3ccc1)n1[n]4ccc1)[n]1n(cc(N(=O)=O)c1)[BH](n1[n]5ccc1)n1[n]6ccc1 |
Title of publication | Tuning the optical and magnetic properties of lanthanide single-ion magnets using nitro-functionalized trispyrazolylborate ligands. |
Authors of publication | Hossack, Christopher; Abdul, Folasade; Cahill, Christopher; Besson, Claire |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2023 |
a | 24.313 ± 0.016 Å |
b | 13.724 ± 0.01 Å |
c | 29.722 ± 0.015 Å |
α | 90° |
β | 115.893 ± 0.013° |
γ | 90° |
Cell volume | 8922 ± 10 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0708 |
Residual factor for significantly intense reflections | 0.043 |
Weighted residual factors for significantly intense reflections | 0.0794 |
Weighted residual factors for all reflections included in the refinement | 0.0872 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.975 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7713032.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.