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Information card for entry 7235879
Preview
| Coordinates | 7235879.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C70 H60 Cl3 D F6 I3 N4 O8 |
|---|---|
| Calculated formula | C70 H61 Cl3 F6 I3 N4 O8 |
| Title of publication | Solid state halogen bonded networks vs. dynamic assemblies in solution: explaining N⋯X interactions of multivalent building blocks |
| Authors of publication | Tero, Tiia-Riikka; Salorinne, Kirsi; Malola, Sami; Häkkinen, Hannu; Nissinen, Maija |
| Journal of publication | CrystEngComm |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 43 |
| Pages of publication | 8231 |
| a | 13.0454 ± 0.0003 Å |
| b | 13.7948 ± 0.0005 Å |
| c | 20.6219 ± 0.0007 Å |
| α | 88.043 ± 0.003° |
| β | 82.996 ± 0.002° |
| γ | 84.693 ± 0.002° |
| Cell volume | 3666.6 ± 0.2 Å3 |
| Cell temperature | 170 ± 2 K |
| Ambient diffraction temperature | 170.15 ± 0.02 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0532 |
| Residual factor for significantly intense reflections | 0.0397 |
| Weighted residual factors for significantly intense reflections | 0.0877 |
| Weighted residual factors for all reflections included in the refinement | 0.0935 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| 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 |
|---|---|---|---|
| 233419 (current) | 2019-11-23 | cif/ Adding structures of 7235875, 7235876, 7235877, 7235878, 7235879, 7235880 via cif-deposit CGI script. |
7235879.cif |
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Users of the data should acknowledge the original authors of the
structural data.