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Information card for entry 7235878
Preview
| Coordinates | 7235878.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C63 H67 Cl3 N4 O9 |
|---|---|
| Calculated formula | C63 H67 Cl3 N4 O9 |
| 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 | 13.1236 ± 0.0004 Å |
| b | 32.8276 ± 0.0008 Å |
| c | 13.3088 ± 0.0004 Å |
| α | 90° |
| β | 92.373 ± 0.003° |
| γ | 90° |
| Cell volume | 5728.7 ± 0.3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173.15 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1307 |
| Residual factor for significantly intense reflections | 0.0815 |
| Weighted residual factors for significantly intense reflections | 0.2186 |
| Weighted residual factors for all reflections included in the refinement | 0.2609 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
7235878.cif |
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Users of the data should acknowledge the original authors of the
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