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Information card for entry 1556344
Preview
| Coordinates | 1556344.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C108 H253 Br7 Co6 O75 Ti27 |
|---|---|
| Calculated formula | C107.94 H244.86 Br7 Co6 O75 Ti27 |
| Title of publication | Encapsulation of a ‘naked’ Br− anion in a polyoxotitanate host |
| Authors of publication | Lv, Yaokang; Willkomm, Janina; Steiner, Alexander; Gan, Lihua; Reisner, Erwin; Wright, Dominic S. |
| Journal of publication | Chemical Science |
| Year of publication | 2012 |
| Journal volume | 3 |
| Journal issue | 8 |
| Pages of publication | 2470 |
| a | 23.8831 ± 0.0004 Å |
| b | 20.6857 ± 0.0003 Å |
| c | 20.2699 ± 0.0003 Å |
| α | 90° |
| β | 92.546 ± 0.001° |
| γ | 90° |
| Cell volume | 10004.2 ± 0.3 Å3 |
| Cell temperature | 140 ± 2 K |
| Ambient diffraction temperature | 140 ± 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 | 0.1064 |
| Residual factor for significantly intense reflections | 0.0785 |
| Weighted residual factors for significantly intense reflections | 0.2167 |
| Weighted residual factors for all reflections included in the refinement | 0.2382 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.971 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 244372 (current) | 2019-11-28 | cif/ Adding structures of 1556344 via cif-deposit CGI script. |
1556344.cif |
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