Information card for entry 4303414

Structure parameters

• Formula: C85 H160 Co Cr7 F8 N O33.5
• Calculated formula: C85 H154 Co1.04 Cr7.04 F8 N O33.5
• Title of publication: Proton NMR Study of Cr-Co Heterometallic Wheel Complexes
• Authors of publication: E. Carolina Sañudo; Thomas B. Faust; Christopher A. Muryn; Robin G. Pritchard; Grigore A. Timco; Richard E. P. Winpenny
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 9811 - 9818
• a: 25.1073 ± 0.0008 Å
• b: 16.6242 ± 0.0007 Å
• c: 30.8644 ± 0.001 Å
• α: 90°
• β: 110.275 ± 0.003°
• γ: 90°
• Cell volume: 12084.3 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1185
• Residual factor for significantly intense reflections: 0.0846
• Weighted residual factors for significantly intense reflections: 0.207
• Weighted residual factors for all reflections included in the refinement: 0.2202
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No