Information card for entry 7010120

Structure parameters

• Formula: C29.19 H51.6 Cl4 Cu2 N8.6 O2.9
• Calculated formula: C29.2 H51.6 Cl4 Cu2 N8.6 O2.9
• Title of publication: Preparation of the copper(II) complex of the binucleating hexaaza macrocycle 2,5,8,17,20,23-hexaaza[9.9]paracyclophane and its solution chemistry, hydrolytic activity and acid dissociation kinetics ‡
• Authors of publication: Clifford, Thomas; Danby, Andrew M.; Lightfoot, Philip; Richens, David T.; Hay, Robert W.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 3
• Pages of publication: 240
• a: 14.971 ± 0.008 Å
• b: 42.24 ± 0.04 Å
• c: 25.32 ± 0.03 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 16012 ± 3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 493 ± 2 K
• Number of distinct elements: 6
• Space group number: 73
• Hermann-Mauguin space group symbol: I b c a
• Hall space group symbol: -I 2b 2c
• Residual factor for all reflections: 0.1524
• Residual factor for significantly intense reflections: 0.1011
• Weighted residual factors for significantly intense reflections: 0.2536
• Weighted residual factors for all reflections included in the refinement: 0.3101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No