Information card for entry 7134706

Structure parameters

• Formula: C206 H176 Cr7 F8 N Ni O40
• Calculated formula: C188 H140 Cr7 F8 N Ni O34
• Title of publication: Energetics of carboxylate-metal bonds in polymetallic rings.
• Authors of publication: Geue, Niklas; Renningholtz, Tim; Whitehead, George F. S.; Timco, Grigore A.; Trujillo, Cristina; Barran, Perdita E.; Winpenny, Richard E. P.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 59
• Pages of publication: 11049 - 11052
• a: 31.9625 ± 0.0007 Å
• b: 17.1553 ± 0.0005 Å
• c: 16.9723 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9306.4 ± 0.4 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0924
• Residual factor for significantly intense reflections: 0.0679
• Weighted residual factors for significantly intense reflections: 0.1793
• Weighted residual factors for all reflections included in the refinement: 0.2
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No