Information card for entry 7106447

Structure parameters

• Formula: C124 H112 B2 Cu4 F8 N12 O12 P4
• Calculated formula: C120 H106 B2 Cu4 F8 N10 O12 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: 11.583 ± 0.002 Å
• b: 16.843 ± 0.003 Å
• c: 19.661 ± 0.004 Å
• α: 66.03 ± 0.03°
• β: 78.91 ± 0.03°
• γ: 88.69 ± 0.03°
• Cell volume: 3432.9 ± 1.4 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.105
• Residual factor for significantly intense reflections: 0.0812
• Weighted residual factors for significantly intense reflections: 0.2255
• Weighted residual factors for all reflections included in the refinement: 0.2437
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No