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Information card for entry 7706922
Preview
| Coordinates | 7706922.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C46 H84 Fe Li N2 O8 Si2 |
|---|---|
| Calculated formula | C46 H84 Fe Li N2 O8 Si2 |
| SMILES | [Fe](N([Si](C)(C)C)c1c(cccc1C(C)C)C(C)C)N([Si](C)(C)C)c1c(C(C)C)cccc1C(C)C.[O]12CC[O]3CC[O]4CC[O](CC1)[Li]156234[O]2CC[O]5CC[O]6CC[O]1CC2 |
| Title of publication | Quasilinear 3d-metal(i) complexes [KM(N(Dipp)SiR<sub>3</sub>)<sub>2</sub>] (M = Cr-Co) - structural diversity, solution state behaviour and reactivity. |
| Authors of publication | Weller, Ruth; Müller, Igor; Duhayon, Carine; Sabo-Etienne, Sylviane; Bontemps, Sébastien; Werncke, C. Gunnar |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2021 |
| Journal volume | 50 |
| Journal issue | 14 |
| Pages of publication | 4890 - 4903 |
| a | 11.6888 ± 0.0008 Å |
| b | 14.5127 ± 0.001 Å |
| c | 16.4126 ± 0.0012 Å |
| α | 70.55 ± 0.002° |
| β | 83.481 ± 0.002° |
| γ | 77.315 ± 0.002° |
| Cell volume | 2558.7 ± 0.3 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0979 |
| Residual factor for significantly intense reflections | 0.0826 |
| Weighted residual factors for significantly intense reflections | 0.1912 |
| Weighted residual factors for all reflections included in the refinement | 0.1996 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.098 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301878 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/70/ Each referenced PubChem compound corresponds to the full crystal structure. |
7706922.cif |
| 264903 | 2021-05-05 | cif/ Updating files of 7706910, 7706911, 7706912, 7706913, 7706914, 7706915, 7706916, 7706917, 7706918, 7706919, 7706920, 7706921, 7706922, 7706923, 7706924, 7706925, 7706926, 7706927 Original log message: Adding full bibliography for 7706910--7706927.cif. |
7706922.cif |
| 263230 | 2021-03-23 | cif/ Adding structures of 7706910, 7706911, 7706912, 7706913, 7706914, 7706915, 7706916, 7706917, 7706918, 7706919, 7706920, 7706921, 7706922, 7706923, 7706924, 7706925, 7706926, 7706927 via cif-deposit CGI script. |
7706922.cif |
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Users of the data should acknowledge the original authors of the
structural data.