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Information card for entry 7134708
Preview
| Coordinates | 7134708.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C86 H160 Cr7 F8 N Ni O32 |
|---|---|
| Calculated formula | C86 H156 Cr7 F8 N Ni O32 |
| Title of publication | Energetics of Carboxylate-Metal Bonds in Polymetallic Rings |
| Authors of publication | Geue, Niklas; Renningholtz, Tim; Whitehead, George F. S.; Timco, Grigore A.; Trujillo, Cristina; Barran, Perdita; Winpenny, Richard E. P. |
| Journal of publication | Chemical Communications |
| Year of publication | 2025 |
| a | 19.1697 ± 0.0005 Å |
| b | 29.3283 ± 0.0008 Å |
| c | 20.8382 ± 0.0007 Å |
| α | 90° |
| β | 104.138 ± 0.003° |
| γ | 90° |
| Cell volume | 11360.7 ± 0.6 Å3 |
| Cell temperature | 99.9 ± 0.4 K |
| Ambient diffraction temperature | 99.9 ± 0.4 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1629 |
| Residual factor for significantly intense reflections | 0.0902 |
| Weighted residual factors for significantly intense reflections | 0.2708 |
| Weighted residual factors for all reflections included in the refinement | 0.3357 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 300050 (current) | 2025-06-12 | cif/ Adding structures of 7134703, 7134704, 7134705, 7134706, 7134707, 7134708, 7134709 via cif-deposit CGI script. |
7134708.cif |
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Users of the data should acknowledge the original authors of the
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