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Information card for entry 7134705
Preview
| Coordinates | 7134705.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C102 H88 Cr7 F8 N9 Ni O48 |
|---|---|
| Calculated formula | C90 H69.819 Cr7 F8 N3 Ni O48 |
| 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 | 26.8743 ± 0.0008 Å |
| b | 27.944 ± 0.0006 Å |
| c | 16.9778 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 12749.9 ± 0.6 Å3 |
| Cell temperature | 99.95 ± 0.1 K |
| Ambient diffraction temperature | 99.95 ± 0.1 K |
| Number of distinct elements | 7 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor for all reflections | 0.0781 |
| Residual factor for significantly intense reflections | 0.0529 |
| Weighted residual factors for significantly intense reflections | 0.143 |
| Weighted residual factors for all reflections included in the refinement | 0.1595 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.011 |
| 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 |
|---|---|---|---|
| 300050 (current) | 2025-06-12 | cif/ Adding structures of 7134703, 7134704, 7134705, 7134706, 7134707, 7134708, 7134709 via cif-deposit CGI script. |
7134705.cif |
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Users of the data should acknowledge the original authors of the
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