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Information card for entry 7248203
Preview
Coordinates | 7248203.cif |
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Original paper (by DOI) | HTML |
Formula | C35 H61 O2 Si2 Yb |
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Calculated formula | C35 H61 O2 Si2 Yb |
Title of publication | Geometry and electronic structure of Yb(III)[CH(SiMe<sub>3</sub>)<sub>2</sub>]<sub>3</sub> from EPR and solid-state NMR augmented by computations. |
Authors of publication | Ashuiev, Anton; Allouche, Florian; Islam, Md Ashraful; Carvalho, José P; Sanders, Kevin J.; Conley, Matthew P.; Klose, Daniel; Lapadula, Giuseppe; Wörle, Michael; Baabe, Dirk; Walter, Marc D.; Pell, Andrew J.; Copéret, Christophe; Jeschke, Gunnar; Pintacuda, Guido; Andersen, Richard A. |
Journal of publication | Physical chemistry chemical physics : PCCP |
Year of publication | 2024 |
Journal volume | 26 |
Journal issue | 11 |
Pages of publication | 8734 - 8747 |
a | 12.6785 ± 0.0003 Å |
b | 14.3864 ± 0.0003 Å |
c | 22.0939 ± 0.0005 Å |
α | 106.806 ± 0.002° |
β | 102.024 ± 0.002° |
γ | 90.3602 ± 0.0019° |
Cell volume | 3763.59 ± 0.16 Å3 |
Cell temperature | 100.6 ± 0.8 K |
Ambient diffraction temperature | 100.6 ± 0.8 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0761 |
Residual factor for significantly intense reflections | 0.0584 |
Weighted residual factors for significantly intense reflections | 0.1398 |
Weighted residual factors for all reflections included in the refinement | 0.1509 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.092 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Diffraction radiation X-ray symbol | K-L~3~ |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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