Information card for entry 4332059

Structure parameters

• Formula: C48 H68 N6 S2 Zn
• Calculated formula: C48 H68 N6 S2 Zn
• SMILES: [Zn]12([N](=S(N=C(N1c1c(cccc1C(C)C)C(C)C)C)c1ccccc1)C(C)(C)C)[N](=S(N2/C(=N/c1c(cccc1C(C)C)C(C)C)C)c1ccccc1)C(C)(C)C
• 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: 12.0952 ± 0.0005 Å
• b: 13.1275 ± 0.0007 Å
• c: 15.5653 ± 0.001 Å
• α: 81.669 ± 0.005°
• β: 85.297 ± 0.004°
• γ: 76.706 ± 0.004°
• Cell volume: 2376.8 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1382
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1006
• Weighted residual factors for all reflections included in the refinement: 0.1201
• Goodness-of-fit parameter for all reflections included in the refinement: 0.903
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No