Information card for entry 4067291

Structure parameters

• Chemical name: bis(pyridine)-bis(s-butyl)-zinc
• Formula: C18 H28 N2 Zn
• Calculated formula: C18 H28 N2 Zn
• SMILES: C[C@@H](CC)[Zn]([C@@H](C)CC)([n]1ccccc1)[n]1ccccc1.C[C@H](CC)[Zn]([C@H](C)CC)([n]1ccccc1)[n]1ccccc1
• Title of publication: Toward Total Spontaneous Resolution ofsec-Butylzinc Complexes
• Authors of publication: Lennartson, Anders; Hedström, Anna; Håkansson, Mikael
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 1
• Pages of publication: 177
• a: 9.3518 ± 0.0014 Å
• b: 13.822 ± 0.002 Å
• c: 14.401 ± 0.002 Å
• α: 90°
• β: 92.67 ± 0.006°
• γ: 90°
• Cell volume: 1859.5 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0349
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0778
• Weighted residual factors for all reflections included in the refinement: 0.0794
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No