Information card for entry 7134709

Structure parameters

• Formula: C102 H188 Cr7 F8 N Ni O32
• Calculated formula: C102 H188 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: 19.0912 ± 0.0004 Å
• b: 22.0288 ± 0.0004 Å
• c: 30.5452 ± 0.0005 Å
• α: 90.1198 ± 0.0015°
• β: 90.1205 ± 0.0015°
• γ: 106.277 ± 0.0017°
• Cell volume: 12331 ± 0.4 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 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: 0.1679
• Residual factor for significantly intense reflections: 0.1397
• Weighted residual factors for significantly intense reflections: 0.3853
• Weighted residual factors for all reflections included in the refinement: 0.4002
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No