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Information card for entry 7124522
Preview
| Coordinates | 7124522.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C58 H97 B Ca2 N6 O2 |
|---|---|
| Calculated formula | C58 H97 B Ca2 N6 O2 |
| Title of publication | A Tetranuclear Calcium Hydride Cluster with a Highly Symmetric [Ca4H6]2+ Core |
| Authors of publication | Okuda, Jun; Schuhknecht, Danny; Spaniol, Thomas Paul; Laurent, Maron; Douair, Iskander |
| Journal of publication | Chemical Communications |
| Year of publication | 2019 |
| a | 18.88272 ± 0.00018 Å |
| b | 18.88272 ± 0.00018 Å |
| c | 16.61907 ± 0.00016 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5925.65 ± 0.1 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 6 |
| Space group number | 114 |
| Hermann-Mauguin space group symbol | P -4 21 c |
| Hall space group symbol | P -4 2n |
| Residual factor for all reflections | 0.0527 |
| Residual factor for significantly intense reflections | 0.0511 |
| Weighted residual factors for significantly intense reflections | 0.1394 |
| Weighted residual factors for all reflections included in the refinement | 0.1419 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 231064 (current) | 2019-11-20 | cif/ Adding structures of 7124521, 7124522 via cif-deposit CGI script. |
7124522.cif |
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Users of the data should acknowledge the original authors of the
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