Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4088412
Preview
| Coordinates | 4088412.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H14 B F4 Ni2 S2 |
|---|---|
| Calculated formula | C12 H14 B F4 Ni2 S2 |
| Title of publication | Effect of Pyramidalization of the M2(SR)2Center: The Case of (C5H5)2Ni2(SR)2 |
| Authors of publication | Chambers, Geoffrey M.; Rauchfuss, Thomas B.; Arrigoni, Federica; Zampella, Giuseppe |
| Journal of publication | Organometallics |
| Year of publication | 2016 |
| Journal volume | 35 |
| Journal issue | 5 |
| Pages of publication | 836 |
| a | 12.854 ± 0.003 Å |
| b | 10.221 ± 0.003 Å |
| c | 11.434 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1502.2 ± 0.7 Å3 |
| Cell temperature | 183.15 K |
| Ambient diffraction temperature | 183.15 K |
| Number of distinct elements | 6 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor for all reflections | 0.0308 |
| Residual factor for significantly intense reflections | 0.0258 |
| Weighted residual factors for significantly intense reflections | 0.0653 |
| Weighted residual factors for all reflections included in the refinement | 0.0677 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 237551 (current) | 2019-11-24 | cif/ Adding structures of 4088407, 4088408, 4088409, 4088410, 4088411, 4088412, 4088413, 4088414, 4088415, 4088416, 4088417, 4088418 via cif-deposit CGI script. |
4088412.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.