Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4135104
Preview
| Coordinates | 4135104.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | F9 H4 K5 Mo3 O6 |
|---|---|
| Calculated formula | F9 H4 K5 Mo3 O6 |
| Title of publication | Multimodal Structure Solution with <sup>19</sup>F NMR Crystallography of Spin Singlet Molybdenum Oxyfluorides. |
| Authors of publication | Ding, Fenghua; Griffith, Kent J.; Koçer, Can P; Saballos, Richard; Wang, Yiran; Zhang, Chi; Nisbet, Matthew L.; Morris, Andrew J.; Rondinelli, James M.; Poeppelmeier, Kenneth R. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2020 |
| a | 7.4246 ± 0.0004 Å |
| b | 12.0849 ± 0.0005 Å |
| c | 16.0856 ± 0.0008 Å |
| α | 90° |
| β | 91.596 ± 0.002° |
| γ | 90° |
| Cell volume | 1442.73 ± 0.12 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 99.92 K |
| Number of distinct elements | 5 |
| 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 | 0.0249 |
| Residual factor for significantly intense reflections | 0.0187 |
| Weighted residual factors for significantly intense reflections | 0.037 |
| Weighted residual factors for all reflections included in the refinement | 0.0386 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 253671 (current) | 2020-07-03 | cif/ Adding structures of 4135103, 4135104, 4135105, 4135106 via cif-deposit CGI script. |
4135104.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.