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Information card for entry 4120607
Preview
| Coordinates | 4120607.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C58 H75 Ge N O2 Si |
|---|---|
| Calculated formula | C58 H75 Ge N O2 Si |
| SMILES | [Ge](N([Si](C(C)C)(C(C)C)C(C)C)c1c(C(c2ccccc2)c2ccccc2)cc(cc1C(c1ccccc1)c1ccccc1)C(C)C)OCc1ccc(cc1)OC.C(CCC)CC |
| Title of publication | Low Coordinate Germanium(II) and Tin(II) Hydride Complexes: Efficient Catalysts for the Hydroboration of Carbonyl Compounds. |
| Authors of publication | Hadlington, Terrance J.; Hermann, Markus; Frenking, Gernot; Jones, Cameron |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2014 |
| Journal volume | 136 |
| Journal issue | 8 |
| Pages of publication | 3028 |
| a | 10.1666 ± 0.0004 Å |
| b | 13.8647 ± 0.0006 Å |
| c | 19.1051 ± 0.0008 Å |
| α | 95.982 ± 0.002° |
| β | 103.95 ± 0.002° |
| γ | 96.87 ± 0.002° |
| Cell volume | 2569.95 ± 0.19 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0627 |
| Residual factor for significantly intense reflections | 0.0483 |
| Weighted residual factors for significantly intense reflections | 0.1237 |
| Weighted residual factors for all reflections included in the refinement | 0.1315 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301834 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
4120607.cif |
| 178983 | 2016-03-22 | cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/06. |
4120607.cif |
| 106619 | 2014-03-15 | cif/ Adding structures of 4120607 via cif-deposit CGI script. |
4120607.cif |
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Users of the data should acknowledge the original authors of the
structural data.