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Information card for entry 4126702
Preview
| Coordinates | 4126702.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C39.5 H54 Br Cl N6 Ni2 |
|---|---|
| Calculated formula | C39.5 H54 Br Cl N6 Ni2 |
| Title of publication | Pairwise H2/D2 Exchange and H2 Substitution at a Bimetallic Dinickel(II) Complex Featuring Two Terminal Hydrides. |
| Authors of publication | Manz, Dennis-Helmut; Duan, Peng-Cheng; Dechert, Sebastian; Demeshko, Serhiy; Oswald, Rainer; John, Michael; Mata, Ricardo A.; Meyer, Franc |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2017 |
| a | 17.1871 ± 0.0004 Å |
| b | 13.8483 ± 0.0003 Å |
| c | 17.3512 ± 0.0004 Å |
| α | 90° |
| β | 111.488 ± 0.002° |
| γ | 90° |
| Cell volume | 3842.75 ± 0.16 Å3 |
| Cell temperature | 133 ± 2 K |
| Ambient diffraction temperature | 133 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0467 |
| Residual factor for significantly intense reflections | 0.0355 |
| Weighted residual factors for significantly intense reflections | 0.087 |
| Weighted residual factors for all reflections included in the refinement | 0.0912 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202916 (current) | 2017-11-08 | cif/ Adding structures of 4126702, 4126703, 4126704, 4126705, 4126706 via cif-deposit CGI script. |
4126702.cif |
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