Information card for entry 7012038

Structure parameters

• Formula: C46 H58 N4 O2
• Calculated formula: C46 H58 N4 O2
• SMILES: c1(O)c(/C=N/c2ccccc2c2c(/N=C/c3c(O)c(cc(c3)C(C)(C)C)CN3CCCCC3)cccc2)cc(C(C)(C)C)cc1CN1CCCCC1
• Title of publication: Solvent extraction of metal sulfates by zwitterionic forms of ditopic ligands
• Authors of publication: Coxall, Robert A.; Lindoy, Leonard F.; Miller, Hamish A.; Parkin, Andrew; Parsons, Simon; Tasker, Peter A.; White, David J.
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 1
• Pages of publication: 55
• a: 9.0272 ± 0.0005 Å
• b: 11.58 ± 0.0008 Å
• c: 20.5591 ± 0.0013 Å
• α: 74.237 ± 0.003°
• β: 78.507 ± 0.004°
• γ: 85.2 ± 0.003°
• Cell volume: 2025.9 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1309
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1084
• Weighted residual factors for all reflections included in the refinement: 0.1346
• Goodness-of-fit parameter for all reflections included in the refinement: 0.96
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No