Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4516889
Preview
| Coordinates | 4516889.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H21 B2 F8 Fe N7 S3 |
|---|---|
| Calculated formula | C18 H21 B2 F8 Fe N7 S3 |
| Title of publication | Spin-State Patterning in an Iron(II) Tripodal Spin-Crossover Complex. |
| Authors of publication | Li, Li; Neville, Suzanne M.; Craze, Alexander R.; Clegg, Jack K.; Sciortino, Natasha F.; Arachchige, Kasun S Athukorala; Mustonen, Outi; Marjo, Christopher E.; McRae, Christopher R.; Kepert, Cameron J.; Lindoy, Leonard F.; Aldrich-Wright, Janice R; Li, Feng |
| Journal of publication | ACS omega |
| Year of publication | 2017 |
| Journal volume | 2 |
| Journal issue | 7 |
| Pages of publication | 3349 - 3353 |
| a | 12.018 ± 0.002 Å |
| b | 17.578 ± 0.004 Å |
| c | 12.558 ± 0.003 Å |
| α | 90° |
| β | 103.46 ± 0.03° |
| γ | 90° |
| Cell volume | 2580 ± 1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0611 |
| Residual factor for significantly intense reflections | 0.0598 |
| Weighted residual factors for significantly intense reflections | 0.1535 |
| Weighted residual factors for all reflections included in the refinement | 0.1547 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation wavelength | 0.7108 Å |
| Diffraction radiation type | silicondoublecrystalmonochromatedsynchrotron |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 239617 (current) | 2019-11-24 | cif/ Adding structures of 4516889 via cif-deposit CGI script. |
4516889.cif |
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.