Information card for entry 4332055

Structure parameters

• Formula: C26 H39 N3 S Zn
• Calculated formula: C26 H39 N3 S Zn
• SMILES: [Zn]1([N](=S(N=C(N1c1c(cccc1C(C)C)C(C)C)C)c1ccccc1)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: 13.5781 ± 0.0004 Å
• b: 11.6793 ± 0.0004 Å
• c: 16.7892 ± 0.0005 Å
• α: 90°
• β: 93.342 ± 0.003°
• γ: 90°
• Cell volume: 2657.95 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0485
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.1009
• Weighted residual factors for all reflections included in the refinement: 0.1073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No