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Information card for entry 1543416
Preview
| Coordinates | 1543416.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C45 H32 Cu1.85 I1.85 N4 S3 |
|---|---|
| Calculated formula | C45 H32 Cu1.848 I1.848 N4 S3.008 |
| 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 | 26.8664 ± 0.0004 Å |
| b | 26.8664 ± 0.0004 Å |
| c | 7.1717 ± 0.0001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5176.56 ± 0.13 Å3 |
| Cell temperature | 300 ± 2 K |
| Ambient diffraction temperature | 300 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 82 |
| Hermann-Mauguin space group symbol | I -4 |
| Hall space group symbol | I -4 |
| Residual factor for all reflections | 0.0453 |
| Residual factor for significantly intense reflections | 0.0356 |
| Weighted residual factors for significantly intense reflections | 0.0974 |
| Weighted residual factors for all reflections included in the refinement | 0.1048 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.993 |
| Diffraction radiation wavelength | 0.7 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. |
1543416.cif |
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Users of the data should acknowledge the original authors of the
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