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Information card for entry 7132145
Preview
| Coordinates | 7132145.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C7 H16 N O6 Re |
|---|---|
| Calculated formula | C7 H16 N O6 Re |
| Title of publication | Non-Covalent Matere Bonds in Perrhenates Probed via Ultrahigh Field Rhenium-185/187 NMR and Zero-Field NQR Spectroscopy |
| Authors of publication | Xu, Yijue; Calabrese, Miriam; Demitri, Nicola; Pizzi, Andrea; Nag, Tamali; Hung, Ivan; Gan, Zhehong; Resnati, Giuseppe; Bryce, David L. |
| Journal of publication | Chemical Communications |
| Year of publication | 2023 |
| a | 7.313 ± 0.002 Å |
| b | 8.956 ± 0.002 Å |
| c | 10.153 ± 0.002 Å |
| α | 79.13 ± 0.03° |
| β | 71.47 ± 0.03° |
| γ | 67.85 ± 0.03° |
| Cell volume | 582.2 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1151 |
| Residual factor for significantly intense reflections | 0.1033 |
| Weighted residual factors for significantly intense reflections | 0.1802 |
| Weighted residual factors for all reflections included in the refinement | 0.1859 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.117 |
| Diffraction radiation wavelength | 0.62 Å |
| Diffraction radiation type | Synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 286448 (current) | 2023-09-22 | cif/ Adding structures of 7132145 via cif-deposit CGI script. |
7132145.cif |
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Users of the data should acknowledge the original authors of the
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