Information card for entry 4332053

Structure parameters

• Formula: C27 H41 N3 S Zn
• Calculated formula: C27 H41 N3 S Zn
• SMILES: [Zn]1(N(C(=NS(=[N]1C(C)(C)C)c1ccccc1)CC)c1c(cccc1C(C)C)C(C)C)CC
• Title of publication: Imino Sulfinamidines: Synthesis and Coordination Chemistry of a Novel Class of Chiral Bidentate Ligands
• Authors of publication: Barrett, Anthony G. M.; Gray, Andrew A.; Hill, Michael S.; Hitchcock, Peter B.; Procopiou, Panayiotis A.; White, Andrew J. P.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 8
• Pages of publication: 3352 - 3358
• a: 17.4704 ± 0.0005 Å
• b: 9.5119 ± 0.0002 Å
• c: 16.4666 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2736.37 ± 0.13 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0509
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.1014
• Weighted residual factors for all reflections included in the refinement: 0.1085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No