Information card for entry 7134705

Structure parameters

• Formula: C102 H88 Cr7 F8 N9 Ni O48
• Calculated formula: C90 H69.819 Cr7 F8 N3 Ni O48
• 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: 26.8743 ± 0.0008 Å
• b: 27.944 ± 0.0006 Å
• c: 16.9778 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12749.9 ± 0.6 ų
• Cell temperature: 99.95 ± 0.1 K
• Ambient diffraction temperature: 99.95 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0781
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.143
• Weighted residual factors for all reflections included in the refinement: 0.1595
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No