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Information card for entry 7117844
Preview
| Coordinates | 7117844.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C60 H48 Cl Ir N6 O |
|---|---|
| Calculated formula | C60 H46 Cl Ir N6 O |
| Title of publication | Molecular tectonics: heterometallic (Ir,Cu) grid-type coordination networks based on cyclometallated Ir(III) chiral metallatectons |
| Authors of publication | Chaojie Xu; Aurelie Guenet; Nathalie Kyritsakas; Jean-Marc Planeix; Mir Wais Hosseini |
| Journal of publication | Chem.Commun. |
| Year of publication | 2015 |
| Journal volume | 51 |
| Pages of publication | 14785 |
| a | 32.5454 ± 0.0006 Å |
| b | 12.2814 ± 0.0002 Å |
| c | 13.942 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5572.66 ± 0.16 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 18 |
| Hermann-Mauguin space group symbol | P 21 21 2 |
| Hall space group symbol | P 2 2ab |
| Residual factor for all reflections | 0.0383 |
| Residual factor for significantly intense reflections | 0.0322 |
| Weighted residual factors for significantly intense reflections | 0.0566 |
| Weighted residual factors for all reflections included in the refinement | 0.0569 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.098 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 158283 (current) | 2015-09-24 | cif/ Adding structures of 7117843, 7117844, 7117845, 7117846 via cif-deposit CGI script. |
7117844.cif |
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Users of the data should acknowledge the original authors of the
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