Information card for entry 7202823
| Formula |
C49 H68 Fe K1.5 O27 S20 |
| Calculated formula |
C49 H56 Fe K1.5 O27 S20 |
| Title of publication |
Multi-layered molecular charge-transfer salts containing alkali metal ions |
| Authors of publication |
Martin, Lee; Day, Peter; Clegg, William; Harrington, Ross W.; Horton, Peter N.; Bingham, Ann; Hursthouse, Michael B.; McMillan, Paul; Firth, Steven |
| Journal of publication |
Journal of Materials Chemistry |
| Year of publication |
2007 |
| Journal volume |
17 |
| Journal issue |
31 |
| Pages of publication |
3324 |
| a |
32.9933 ± 0.0011 Å |
| b |
11.0441 ± 0.0004 Å |
| c |
20.7262 ± 0.0007 Å |
| α |
90° |
| β |
104.622 ± 0.001° |
| γ |
90° |
| Cell volume |
7307.6 ± 0.4 Å3 |
| Cell temperature |
120 ± 2 K |
| Ambient diffraction temperature |
120 ± 2 K |
| Number of distinct elements |
6 |
| 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 |
0.0596 |
| Residual factor for significantly intense reflections |
0.0424 |
| Weighted residual factors for significantly intense reflections |
0.1037 |
| Weighted residual factors for all reflections included in the refinement |
0.1126 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.031 |
| Diffraction radiation wavelength |
0.6712 Å |
| Diffraction radiation type |
synchrotron |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
No |
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