Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4337440
Preview
Coordinates | 4337440.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C15 H12 Au Fe N7 O |
---|---|
Calculated formula | C15 H10 Au Fe N7 O |
Title of publication | Spin-crossover behavior in two new supramolecular isomers. |
Authors of publication | Yan, Zheng; Ni, Zhao-Ping; Guo, Fu-Sheng; Li, Jin-Yan; Chen, Yan-Chong; Liu, Jun-Liang; Lin, Wei-Quan; Aravena, Daniel; Ruiz, Eliseo; Tong, Ming-Liang |
Journal of publication | Inorganic chemistry |
Year of publication | 2014 |
Journal volume | 53 |
Journal issue | 1 |
Pages of publication | 201 - 208 |
a | 9.3277 ± 0.0016 Å |
b | 10.1541 ± 0.0013 Å |
c | 10.8491 ± 0.0017 Å |
α | 106.128 ± 0.004° |
β | 102.779 ± 0.005° |
γ | 112.248 ± 0.004° |
Cell volume | 849.9 ± 0.2 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 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 | 0.0974 |
Residual factor for significantly intense reflections | 0.0711 |
Weighted residual factors for significantly intense reflections | 0.1776 |
Weighted residual factors for all reflections included in the refinement | 0.1924 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
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/4337440.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.