Information card for entry 4084687

Structure parameters

• Formula: C22 H46 N2 O2 Zn2
• Calculated formula: C22 H46 N2 O2 Zn2
• SMILES: C(C)[Zn]1[O](N2C(CCCC2(C)C)(C)C)[Zn](CC)[O]1N1C(CCCC1(C)C)(C)C
• Title of publication: A New Look at the Reactivity of TEMPO toward Diethylzinc
• Authors of publication: Budny-Godlewski, Krzysztof; Kubicki, Dominik; Justyniak, Iwona; Lewiński, Janusz
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 19
• Pages of publication: 5093
• a: 9.9491 ± 0.0004 Å
• b: 12.6912 ± 0.0005 Å
• c: 20.3478 ± 0.0009 Å
• α: 90°
• β: 100.016 ± 0.004°
• γ: 90°
• Cell volume: 2530.08 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0684
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1221
• Weighted residual factors for all reflections included in the refinement: 0.1426
• Goodness-of-fit parameter for all reflections included in the refinement: 1.331
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No