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Information card for entry 7045869
Preview
| Coordinates | 7045869.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C80 H104 Al2 Cl4 N12 O36 Zn5 |
|---|---|
| Calculated formula | C72 H72 Al1.9998 Cl4 N12 O28 Zn5.0002 |
| Title of publication | Order in disorder: solution and solid-state studies of [MIII2MII5] wheels (MIII = Cr, Al; MII = Ni, Zn) |
| Authors of publication | Fraser, Hector; Nichol, Gary Stephen; Uhrin, Dusan; Nielsen, Ulla Gro; Evangelisti, Marco; Schnack, Jürgen; Brechin, Euan K. |
| Journal of publication | Dalton Transactions |
| Year of publication | 2018 |
| a | 14.4962 ± 0.0005 Å |
| b | 14.4962 ± 0.0005 Å |
| c | 38.022 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 6919.5 ± 0.5 Å3 |
| Cell temperature | 120 K |
| Ambient diffraction temperature | 120 K |
| Number of distinct elements | 7 |
| Space group number | 148 |
| Hermann-Mauguin space group symbol | R -3 |
| Hall space group symbol | -R 3 |
| Residual factor for all reflections | 0.0849 |
| Residual factor for significantly intense reflections | 0.0647 |
| Weighted residual factors for significantly intense reflections | 0.1384 |
| Weighted residual factors for all reflections included in the refinement | 0.1459 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.091 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 206969 (current) | 2018-03-16 | cif/ Adding structures of 7045868, 7045869, 7045870, 7045871 via cif-deposit CGI script. |
7045869.cif |
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Users of the data should acknowledge the original authors of the
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