Information card for entry 7134704

Structure parameters

• Formula: C134 H128 Cr7 F8 N Ni O32
• Calculated formula: C134 H128 Cr7 F8 N Ni O32
• 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: 24.0332 ± 0.0004 Å
• b: 24.0911 ± 0.0005 Å
• c: 23.763 ± 0.0006 Å
• α: 90°
• β: 94.616 ± 0.002°
• γ: 90°
• Cell volume: 13713.8 ± 0.5 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0844
• Residual factor for significantly intense reflections: 0.0694
• Weighted residual factors for significantly intense reflections: 0.2195
• Weighted residual factors for all reflections included in the refinement: 0.234
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No