Information card for entry 7244777
| Formula |
Ca3 K5 Mo6 Na O49 P4 |
| Calculated formula |
Ca3 K5 Mo6 Na O49 P4 |
| Title of publication |
A nanoscale polymolybdate built by two hexavacant Keggin-type fragments via a novel {Ca6P6O38} cluster with β-sheet conformation modulation ability |
| Authors of publication |
Hua, Jiai; Wei, Xueman; Bian, Yujian; Ma, Xiang; Hao, Li; Sun, Jierui; Fan, Jingjing; Niu, Yulan; Wang, Yanqing |
| Journal of publication |
CrystEngComm |
| Year of publication |
2022 |
| a |
12.8983 ± 0.0013 Å |
| b |
13.4856 ± 0.0014 Å |
| c |
16.2197 ± 0.0017 Å |
| α |
113.259 ± 0.002° |
| β |
91.93 ± 0.002° |
| γ |
115.225 ± 0.001° |
| Cell volume |
2274.5 ± 0.4 Å3 |
| Cell temperature |
296 ± 2 K |
| Ambient diffraction temperature |
296.15 K |
| Number of distinct elements |
6 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0397 |
| Residual factor for significantly intense reflections |
0.0344 |
| Weighted residual factors for significantly intense reflections |
0.0878 |
| Weighted residual factors for all reflections included in the refinement |
0.0931 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.062 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/7244777.html
