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Information card for entry 7229366
Preview
| Coordinates | 7229366.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H2 F20 O4 Pt |
|---|---|
| Calculated formula | C30 H2 F20 O4 Pt |
| SMILES | Fc1c(C2=[O][Pt]3(OC(=CC(=[O]3)c3c(F)c(F)c(F)c(F)c3F)c3c(c(c(c(c3F)F)F)F)F)OC(=C2)c2c(c(c(c(c2F)F)F)F)F)c(F)c(F)c(F)c1F |
| Title of publication | Enhanced adsorption of small gas molecules in metal (Cu2+, Pd2+, Pt2+) complexes induced by ligand fluorination |
| Authors of publication | Hori, Akiko; Gonda, Ryu; Rzeznicka, Izabela I. |
| Journal of publication | CrystEngComm |
| Year of publication | 2017 |
| a | 3.6433 ± 0.0008 Å |
| b | 14.063 ± 0.003 Å |
| c | 14.147 ± 0.003 Å |
| α | 101.081 ± 0.002° |
| β | 90.448 ± 0.002° |
| γ | 94.459 ± 0.002° |
| Cell volume | 709 ± 0.3 Å3 |
| Cell temperature | 120 K |
| Ambient diffraction temperature | 120 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0163 |
| Residual factor for significantly intense reflections | 0.0163 |
| Weighted residual factors for significantly intense reflections | 0.0393 |
| Weighted residual factors for all reflections included in the refinement | 0.0393 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202165 (current) | 2017-10-20 | cif/ Adding structures of 7229366 via cif-deposit CGI script. |
7229366.cif |
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Users of the data should acknowledge the original authors of the
structural data.