Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7706373
Preview
Coordinates | 7706373.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C78 H66 Fe3 N42 O18 Pd3 |
---|---|
Calculated formula | C78 H62 Fe3 N42 O18 Pd3 |
Title of publication | Dual-supramolecular contacts induce extreme Hofmann framework distortion and multi-stepped spin-crossover. |
Authors of publication | Ahmed, Manan; Brand, Helen E. A.; Peterson, Vanessa K.; Clegg, Jack K.; Kepert, Cameron J.; Price, Jason R.; Powell, Benjamin J.; Neville, Suzanne M. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2021 |
Journal volume | 50 |
Journal issue | 4 |
Pages of publication | 1434 - 1442 |
a | 10.1602 ± 0.0009 Å |
b | 15.7199 ± 0.0015 Å |
c | 15.9084 ± 0.0014 Å |
α | 110.052 ± 0.003° |
β | 106.996 ± 0.003° |
γ | 93.533 ± 0.004° |
Cell volume | 2245.2 ± 0.4 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 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 | 0.0996 |
Residual factor for significantly intense reflections | 0.0638 |
Weighted residual factors for significantly intense reflections | 0.1479 |
Weighted residual factors for all reflections included in the refinement | 0.1633 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
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/7706373.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.