Information card for entry 7006939

Structure parameters

• Formula: C19 H30 N4 O5 S2 Zn
• Calculated formula: C19 H30 N4 O5 S2 Zn
• SMILES: [Zn]12(N(S(=O)(=O)c3ccc(cc3)C)CC[NH2]1)N(S(=O)(=O)c1ccc(cc1)C)CC[NH2]2.CO
• Title of publication: Design of base metal extractants. Part 1. Inter-ligand hydrogen bonding in the assembly of pseudo-macrocyclic bis(aminosulfonamidato)M(II) complexes.
• Authors of publication: Squires, Clare; Baxter, Christopher W.; Campbell, John; Lindoy, Leonard F.; McNab, Hamish; Parkin, Andrew; Parsons, Simon; Tasker, Peter A.; Wei, Gang; White, David J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 16
• Pages of publication: 2026 - 2034
• a: 15.636 ± 0.006 Å
• b: 25.789 ± 0.008 Å
• c: 11.784 ± 0.006 Å
• α: 90°
• β: 90.18 ± 0.03°
• γ: 90°
• Cell volume: 4752 ± 3 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 2 K
• Number of distinct elements: 6
• 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: 0.0921
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.1274
• Weighted residual factors for all reflections included in the refinement: 0.1467
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No