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Information card for entry 4135103
Preview
| Coordinates | 4135103.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | F9 H6 K5 Mo3 O7 |
|---|---|
| Calculated formula | F9 H6 K5 Mo3 O7 |
| 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 | 13.1217 ± 0.0003 Å |
| b | 7.9281 ± 0.0002 Å |
| c | 14.9286 ± 0.0004 Å |
| α | 90° |
| β | 97.444 ± 0.001° |
| γ | 90° |
| Cell volume | 1539.94 ± 0.07 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| 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 | 0.0196 |
| Residual factor for significantly intense reflections | 0.0187 |
| Weighted residual factors for significantly intense reflections | 0.0482 |
| Weighted residual factors for all reflections included in the refinement | 0.0489 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| 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. |
4135103.cif |
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