Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4125481
Preview
| Coordinates | 4125481.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 1.(Et,H2O) |
|---|---|
| Formula | C24 H16 Fe N12 O2 Pd |
| Calculated formula | C24 H16 Fe N12 O2 Pd |
| Title of publication | Guest Programmable Multistep Spin Crossover in a Porous 2-D Hofmann-Type Material. |
| Authors of publication | Murphy, Michael J.; Zenere, Katrina A.; Ragon, Florence; Southon, Peter D.; Kepert, Cameron J.; Neville, Suzanne M. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2017 |
| Journal volume | 139 |
| Journal issue | 3 |
| Pages of publication | 1330 - 1335 |
| a | 26.5335 ± 0.0009 Å |
| b | 7.4453 ± 0.0003 Å |
| c | 29.3511 ± 0.0009 Å |
| α | 90° |
| β | 110.036 ± 0.005° |
| γ | 90° |
| Cell volume | 5447.4 ± 0.4 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0869 |
| Residual factor for significantly intense reflections | 0.0626 |
| Weighted residual factors for significantly intense reflections | 0.1669 |
| Weighted residual factors for all reflections included in the refinement | 0.1856 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 193521 (current) | 2017-03-04 | cif/ Updating files of 4125479, 4125480, 4125481 Original log message: Adding full bibliography for 4125479--4125481.cif. |
4125481.cif |
| 192549 | 2017-03-01 | cif/ Adding structures of 4125481 via cif-deposit CGI script. |
4125481.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.