Information card for entry 7134707

Structure parameters

• Formula: C251 H343.5 Cr7 F8 N19.5 Ni O80
• Calculated formula: C214 H288 Cr7 F8 N Ni O80
• 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: 26.7607 ± 0.0009 Å
• b: 26.7607 ± 0.0009 Å
• c: 40.561 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 29047 ± 3 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 130
• Hermann-Mauguin space group symbol: P 4/n c c :2
• Hall space group symbol: -P 4a 2ac
• Residual factor for all reflections: 0.1347
• Residual factor for significantly intense reflections: 0.0884
• Weighted residual factors for significantly intense reflections: 0.2616
• Weighted residual factors for all reflections included in the refinement: 0.2997
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No