Information card for entry 7713060

Structure parameters

• Formula: C176.4 H308.17 Cr12 F16 N2 O52 Zn2
• Calculated formula: C176.404 H308.176 Cr12 F16 N2 O52 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: 13.5561 ± 0.0007 Å
• b: 20.1031 ± 0.0012 Å
• c: 21.8278 ± 0.0012 Å
• α: 94.884 ± 0.005°
• β: 92.43 ± 0.005°
• γ: 109.377 ± 0.005°
• Cell volume: 5575.4 ± 0.6 ų
• Cell temperature: 150.02 ± 0.1 K
• Ambient diffraction temperature: 150.02 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1315
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.1179
• Weighted residual factors for all reflections included in the refinement: 0.1307
• Goodness-of-fit parameter for all reflections included in the refinement: 0.88
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No