Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7006494
Preview
Coordinates | 7006494.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H28 N11 O11 Yb |
---|---|
Calculated formula | C24 H26 N11 O11 Yb |
SMILES | [Yb]12345([n]6nc(c(nc6c6[n]1c(ccc6)c1[n]3c(c3[n]2nc(c(n3)CC)CC)ccc1)CC)CC)(ON(=[O]4)=O)([O]=N(=O)O5)[OH2].O=N(=O)[O-].O |
Title of publication | Complexes formed between the quadridentate, heterocyclic molecules 6,6'-bis-(5,6-dialkyl-1,2,4-triazin-3-yl)-2,2'-bipyridine (BTBP) and lanthanides(III): implications for the partitioning of actinides(III) and lanthanides(III). |
Authors of publication | Foreman, Mark R. S.; Hudson, Michael J.; Drew, Michael G. B.; Hill, Clément; Madic, Charles |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2006 |
Journal issue | 13 |
Pages of publication | 1645 - 1653 |
a | 7.733 ± 0.009 Å |
b | 22.614 ± 0.024 Å |
c | 18.073 ± 0.019 Å |
α | 90° |
β | 92.105 ± 0.01° |
γ | 90° |
Cell volume | 3158 ± 6 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.0507 |
Residual factor for significantly intense reflections | 0.0456 |
Weighted residual factors for all reflections | 0.0922 |
Weighted residual factors for significantly intense reflections | 0.09 |
Goodness-of-fit parameter for all reflections | 1.25 |
Goodness-of-fit parameter for significantly intense reflections | 1.265 |
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/7006494.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.