Information card for entry 7106446

Structure parameters

• Formula: C114 H106 B2 Cu4 F8 N9 O7.5 P4
• Calculated formula: C114 H103 B2 Cu4 F8 N9 O7.5 P4
• Title of publication: Anion templation under pH control of self-assembled [2+2] and [3+3] metallomacrocycles containing a new dicopper(I) motif
• Authors of publication: Dry, Emily; Clegg, Jack; Breiner, Boris; Whitaker, Daniel; Stefak, Roman; Nitschke, Jonathan
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 6021
• a: 12.147 ± 0.002 Å
• b: 18.712 ± 0.004 Å
• c: 23.253 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5285.3 ± 1.8 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 8
• Space group number: 55
• Hermann-Mauguin space group symbol: P b a m
• Hall space group symbol: -P 2 2ab
• Residual factor for all reflections: 0.0425
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.094
• Weighted residual factors for all reflections included in the refinement: 0.0967
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No