Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4342177
Preview
Coordinates | 4342177.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C27 H39 N12 O15 Tm |
---|---|
Calculated formula | C27 H33 N12 O15 Tm |
SMILES | [Tm]12345678([OH2])[O]=C(N)C[N]98Cc8[n]7c(C[N]6(Cc6[n]5c(C[N]4(Cc4[n]3c(ccc4)C9)CC(=[O]1)N)ccc6)CC(=[O]2)N)ccc8.N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].O.O |
Title of publication | Lanthanide(III) Complexation with an Amide Derived Pyridinophane. |
Authors of publication | Castro, Goretti; Bastida, Rufina; Macías, Alejandro; Pérez-Lourido, Paulo; Platas-Iglesias, Carlos; Valencia, Laura |
Journal of publication | Inorganic chemistry |
Year of publication | 2015 |
Journal volume | 54 |
Journal issue | 4 |
Pages of publication | 1671 - 1683 |
a | 10.657 ± 0.001 Å |
b | 11.1946 ± 0.001 Å |
c | 15.6855 ± 0.0015 Å |
α | 90° |
β | 105.717 ± 0.001° |
γ | 90° |
Cell volume | 1801.3 ± 0.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 7 |
Hermann-Mauguin space group symbol | P 1 n 1 |
Hall space group symbol | P -2yac |
Residual factor for all reflections | 0.0327 |
Residual factor for significantly intense reflections | 0.0317 |
Weighted residual factors for significantly intense reflections | 0.0851 |
Weighted residual factors for all reflections included in the refinement | 0.0858 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.409 |
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/4342177.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.