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Information card for entry 2242627
Preview
| Coordinates | 2242627.cif |
|---|---|
| Structure factors | 2242627.hkl |
| Original IUCr paper | HTML |
| Chemical name | (η^4^-Cyclooctadiene)(3,3'-dimesityl-1,1'-methylenediimidazoline-2,2'-diylidene)nickel(0) tetrahydrofuran monosolvate |
|---|---|
| Formula | C37 H48 N4 Ni O |
| Calculated formula | C37 H48 N4 Ni O |
| Title of publication | Crystal structure of (η^4^-cyclooctadiene)(3,3'-dimesityl-1,1'-methylenediimidazoline-2,2'-diylidene)nickel(0) tetrahydrofuran monosolvate |
| Authors of publication | Yamamoto, Carlos D.; Zhang, Zijie; Stieber, Sabine Chantal E. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2018 |
| Journal volume | 74 |
| Journal issue | 10 |
| Pages of publication | 1396 - 1399 |
| a | 10.5557 ± 0.0007 Å |
| b | 35.308 ± 0.002 Å |
| c | 8.5951 ± 0.0005 Å |
| α | 90° |
| β | 99.591 ± 0.002° |
| γ | 90° |
| Cell volume | 3158.6 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0942 |
| Residual factor for significantly intense reflections | 0.0478 |
| Weighted residual factors for significantly intense reflections | 0.0843 |
| Weighted residual factors for all reflections included in the refinement | 0.1037 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 210557 (current) | 2018-09-08 | cif/ hkl/ Adding structures of 2242627 via cif-deposit CGI script. |
2242627.cif 2242627.hkl |
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Users of the data should acknowledge the original authors of the
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