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Information card for entry 4087064
Preview
Coordinates | 4087064.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C25 H32 Cl Ge N3 O0.5 |
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Calculated formula | C25 H32 Cl Ge N3 O0.5 |
SMILES | [Ge]1(Cl)N(CCN2C=1N(C=C2)c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C.O1CCCC1 |
Title of publication | Synthesis and Reactivity of Intramolecularly NHC-Stabilized Germylenes and Stannylenes |
Authors of publication | Paul, Daniel; Heins, Frederik; Krupski, Sergei; Hepp, Alexander; Daniliuc, Constantin G.; Klahr, Kevin; Neugebauer, Johannes; Glorius, Frank; Hahn, F. Ekkehardt |
Journal of publication | Organometallics |
Year of publication | 2017 |
a | 8.2116 ± 0.0001 Å |
b | 12.233 ± 0.0002 Å |
c | 48.3221 ± 0.0006 Å |
α | 90° |
β | 94.308 ± 0.001° |
γ | 90° |
Cell volume | 4840.36 ± 0.12 Å3 |
Cell temperature | 153 ± 2 K |
Ambient diffraction temperature | 153 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0616 |
Residual factor for significantly intense reflections | 0.0481 |
Weighted residual factors for significantly intense reflections | 0.1134 |
Weighted residual factors for all reflections included in the refinement | 0.1193 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.087 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4087064.html
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Users of the data should acknowledge the original authors of the
structural data.