Information card for entry 4067293

Structure parameters

• Chemical name: bis(3-methylpyridine)-bis(s-butyl)-zinc
• Formula: C20 H32 N2 Zn
• Calculated formula: C20 H32 N2 Zn
• SMILES: C[C@@H](CC)[Zn]([C@@H](C)CC)([n]1cc(ccc1)C)[n]1cc(ccc1)C.C[C@H](CC)[Zn]([C@H](C)CC)([n]1cc(ccc1)C)[n]1cc(ccc1)C
• 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: 10.216 ± 0.002 Å
• b: 10.645 ± 0.005 Å
• c: 11.735 ± 0.005 Å
• α: 75.73 ± 0.03°
• β: 65.33 ± 0.02°
• γ: 65.33 ± 0.02°
• Cell volume: 1049.8 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0477
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.1074
• Weighted residual factors for all reflections included in the refinement: 0.1128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No