Information card for entry 7006941

Structure parameters

• Formula: C24 H38 Cu N4 O4 S2
• Calculated formula: C24 H38 Cu N4 O4 S2
• SMILES: [Cu]12(N(S(=O)(=O)c3ccc(cc3)C(C)(C)C)CC[NH2]1)N(S(=O)(=O)c1ccc(cc1)C(C)(C)C)CC[NH2]2
• 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: 6.2601 ± 0.0015 Å
• b: 10.817 ± 0.003 Å
• c: 19.487 ± 0.005 Å
• α: 90°
• β: 94.534 ± 0.004°
• γ: 90°
• Cell volume: 1315.4 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0337
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0646
• Weighted residual factors for all reflections included in the refinement: 0.065
• Goodness-of-fit parameter for all reflections included in the refinement: 0.919
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No