Information card for entry 7713064

Structure parameters

• Formula: C93 H163 Cr8 F11 N2 O34 Zn
• Calculated formula: C91 H163 Cr8 F11 N4 O34 Zn
• 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: 36.4236 ± 0.0005 Å
• b: 36.4236 ± 0.0005 Å
• c: 19.1203 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 21968 ± 0.5 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 165
• Hermann-Mauguin space group symbol: P -3 c 1
• Hall space group symbol: -P 3 2"c
• Residual factor for all reflections: 0.211
• Residual factor for significantly intense reflections: 0.1326
• Weighted residual factors for significantly intense reflections: 0.2866
• Weighted residual factors for all reflections included in the refinement: 0.3416
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No