Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7040720
Preview
Coordinates | 7040720.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C66 H68 B2 Cl2 Fe4 N26 O8 |
---|---|
Calculated formula | C66 H68 B2 Cl2 Fe4 N26 O8 |
Title of publication | Spin crossover and reversible single-crystal to single-crystal transformation behaviour in two cyanide-bridged mixed-valence {FeFe} clusters. |
Authors of publication | Zheng, Chunyang; Xu, Juping; Wang, Feng; Tao, Jun; Li, Dongfeng |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 43 |
Pages of publication | 17254 - 17263 |
a | 12.8 ± 0.007 Å |
b | 18.28 ± 0.01 Å |
c | 16.56 ± 0.009 Å |
α | 90° |
β | 98.274 ± 0.008° |
γ | 90° |
Cell volume | 3834 ± 4 Å3 |
Cell temperature | 400 ± 2 K |
Ambient diffraction temperature | 400 ± 2 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.1242 |
Residual factor for significantly intense reflections | 0.0596 |
Weighted residual factors for significantly intense reflections | 0.1529 |
Weighted residual factors for all reflections included in the refinement | 0.2039 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/7040720.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.