Information card for entry 1513720

Structure parameters

• Formula: C359 H630 Cr28 Cu4 F32 N4 Ni4 O141
• Calculated formula: C359 H626 Cr28 Cu4 F32 N4 Ni4 O141
• Title of publication: The acid test: the chemistry of carboxylic acid functionalised {Cr7Ni} rings
• Authors of publication: Whitehead, George F. S.; Ferrando-Soria, Jesùs; Christie, Lorna G.; Chilton, Nicholas F.; Timco, Grigore A.; Moro, Fabrizio; Winpenny, Richard E. P.
• Journal of publication: Chemical Science
• Year of publication: 2014
• Journal volume: 5
• Journal issue: 1
• Pages of publication: 235
• a: 42.289 ± 0.0006 Å
• b: 42.289 ± 0.0006 Å
• c: 31.7707 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 56817.4 ± 1.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• 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: 0.1175
• Residual factor for significantly intense reflections: 0.0873
• Weighted residual factors for significantly intense reflections: 0.2448
• Weighted residual factors for all reflections included in the refinement: 0.2821
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No