Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4122688
Preview
Coordinates | 4122688.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C77.5 H62.5 Er La N10.5 O19 |
---|---|
Calculated formula | C77.5 H60.5 Er La N10.5 O19 |
Title of publication | Heterodimetallic [LnLn'] Lanthanide Complexes: Toward a Chemical Design of Two-Qubit Molecular Spin Quantum Gates. |
Authors of publication | Aguilà, David; Barrios, Leoní A; Velasco, Verónica; Roubeau, Olivier; Repollés, Ana; Alonso, Pablo J.; Sesé, Javier; Teat, Simon J.; Luis, Fernando; Aromí, Guillem |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2014 |
Journal volume | 136 |
Journal issue | 40 |
Pages of publication | 14215 |
a | 14.5226 ± 0.0011 Å |
b | 15.8712 ± 0.0011 Å |
c | 35.345 ± 0.002 Å |
α | 90° |
β | 112.646 ± 0.002° |
γ | 90° |
Cell volume | 7518.6 ± 0.9 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0932 |
Residual factor for significantly intense reflections | 0.0838 |
Weighted residual factors for significantly intense reflections | 0.1959 |
Weighted residual factors for all reflections included in the refinement | 0.2003 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.185 |
Diffraction radiation wavelength | 0.7749 Å |
Diffraction radiation type | synchrotron |
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/4122688.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.