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Information card for entry 1543412
Preview
| Coordinates | 1543412.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C45 H32 Cu2 I2 N4 S1.95 |
|---|---|
| Calculated formula | C45 H32 Cu2 I2 N4 S1.906 |
| Title of publication | Isolation and evolution of labile sulfur allotropesviakinetic encapsulation in interactive porous networks |
| Authors of publication | Kitagawa, Hakuba; Ohtsu, Hiroyoshi; Cruz-Cabeza, Aurora J.; Kawano, Masaki |
| Journal of publication | IUCrJ |
| Year of publication | 2016 |
| Journal volume | 3 |
| Journal issue | 4 |
| a | 13.2563 ± 0.0002 Å |
| b | 13.2563 ± 0.0002 Å |
| c | 27.5616 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4843.39 ± 0.16 Å3 |
| Cell temperature | 30 ± 5 K |
| Ambient diffraction temperature | 30 ± 5 K |
| Number of distinct elements | 6 |
| Space group number | 140 |
| Hermann-Mauguin space group symbol | I 4/m c m |
| Hall space group symbol | -I 4 2c |
| Residual factor for all reflections | 0.062 |
| Residual factor for significantly intense reflections | 0.0372 |
| Weighted residual factors for significantly intense reflections | 0.0892 |
| Weighted residual factors for all reflections included in the refinement | 0.0981 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.752 |
| Diffraction radiation wavelength | 0.6899 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 183354 (current) | 2016-06-11 | cif/ Adding structures of 1543412, 1543413, 1543414, 1543415, 1543416 via cif-deposit CGI script. |
1543412.cif |
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Users of the data should acknowledge the original authors of the
structural data.