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Information card for entry 1548413
Preview
| Coordinates | 1548413.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C109 H96 Ag16 F32 N16 O45 |
|---|---|
| Calculated formula | C109 H96 Ag16 F32 N16 O45 |
| Title of publication | Arene guest selectivity and pore flexibility in a metal-organic framework with semi-fluorinated channel walls |
| Authors of publication | Rebecca Smith; Inigo J. Vitorica-Yrezabal; Adrian Hill; Lee Brammer |
| Journal of publication | Philosophical Transactions of the Royal Society A |
| Year of publication | 2017 |
| Journal volume | 375 |
| Pages of publication | 1 - 16 |
| a | 50.0474 ± 0.0006 Å |
| b | 50.0474 ± 0.0006 Å |
| c | 32.7348 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 71007.4 ± 1.5 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150.15 K |
| Number of distinct elements | 6 |
| Space group number | 148 |
| Hermann-Mauguin space group symbol | R -3 |
| Hall space group symbol | -R 3 |
| Residual factor for all reflections | 0.0682 |
| Residual factor for significantly intense reflections | 0.0565 |
| Weighted residual factors for significantly intense reflections | 0.1114 |
| Weighted residual factors for all reflections included in the refinement | 0.1158 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.124 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 204149 (current) | 2017-12-11 | cif/ Adding structures of 1548413 via cif-deposit CGI script. |
1548413.cif |
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