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Information card for entry 2108390
Preview
| Coordinates | 2108390.cif |
|---|---|
| Structure factors | 2108390.hkl |
| Original paper (by DOI) | HTML |
| Formula | C36 H86 I8 O43 Sr4 |
|---|---|
| Calculated formula | C36 H86 I8 O43 Sr4 |
| Title of publication | Developing new SrI~2~ and β-<small>D</small>-fructopyranose-based metal‒organic frameworks with nonlinear optical properties |
| Authors of publication | Marabello, Domenica; Antoniotti, Paola; Benzi, Paola; Cariati, Elena; Lo Presti, Leonardo; Canepa, Carlo |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2019 |
| Journal volume | 75 |
| Journal issue | 2 |
| a | 12.3717 ± 0.0002 Å |
| b | 17.4352 ± 0.0003 Å |
| c | 17.6607 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3809.47 ± 0.11 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0363 |
| Residual factor for significantly intense reflections | 0.0321 |
| Weighted residual factors for significantly intense reflections | 0.0798 |
| Weighted residual factors for all reflections included in the refinement | 0.0826 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 214248 (current) | 2019-03-21 | cif/ hkl/ Adding structures of 2108389, 2108390, 2108391 via cif-deposit CGI script. |
2108390.cif 2108390.hkl |
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Users of the data should acknowledge the original authors of the
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