Information card for entry 7713059

Structure parameters

• Formula: C113.68 H208.26 Cr8 F12 N4.64 O39.38 Zn2
• Calculated formula: C113.756 H208.792 Cr8 F12.0008 N4.64 O39.404 Zn2
• Title of publication: Synthesis and characterization of heterometallic rings templated through alkylammonium or imidazolium cations.
• Authors of publication: Alotaibi, Rajeh; Booth, Amy; Little, Edmund; Brookfield, Adam; Achari, Amritroop; Lockyer, Selena J.; Timco, Grigore A.; Whitehead, George F. S.; Vitórica-Yrezábal, Iñigo J; Chilton, Nicholas F.; Nair, Rahul R.; Collison, David; Winpenny, Richard E. P.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2023
• a: 33.2596 ± 0.0004 Å
• b: 20.8631 ± 0.0003 Å
• c: 22.6682 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 15729.4 ± 0.4 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 64
• Hermann-Mauguin space group symbol: C m c e
• Hall space group symbol: -C 2ac 2
• Residual factor for all reflections: 0.0651
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1428
• Weighted residual factors for all reflections included in the refinement: 0.1562
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No