Information card for entry 7114111

Structure parameters

• Formula: C68 H88 Cu4 F24 N12 O4 P4
• Calculated formula: C68 H88 Cu4 F24 N12 O4 P4
• Title of publication: Compartmental Schiff-base ligands as selective double-loaded extractants for copper(ii)Electronic supplementary information (ESI) available: synthetic and spectroscopic data. See http://www.rsc.org/suppdata/cc/b1/b109635b/
• Authors of publication: Black, Daniel; Blake, Alexander J.; Finn, Rachel L.; Lindoy, Leonard F.; Nezhadali, Azizollah; Rougnaghi, Gholamhossein; Tasker, Peter A.; Schröder, Martin
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 4
• Pages of publication: 340
• a: 18.828 ± 0.006 Å
• b: 18.828 ± 0.006 Å
• c: 11.477 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4069 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 137
• Hermann-Mauguin space group symbol: P 42/n m c :2
• Hall space group symbol: -P 4ac 2a
• Residual factor for all reflections: 0.219
• Residual factor for significantly intense reflections: 0.102
• Weighted residual factors for all reflections: 0.281
• Weighted residual factors for significantly intense reflections: 0.216
• Goodness-of-fit parameter for all reflections: 1.03
• Goodness-of-fit parameter for significantly intense reflections: 1.21
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No