Information card for entry 4122085

Structure parameters

• Formula: C60 H60 B F4 N8 O8 Ru2
• Calculated formula: C60 H60 B F4 N8 O8 Ru2
• Title of publication: Manipulating magnetism: ru2(5+) paddlewheels devoid of axial interactions.
• Authors of publication: Chiarella, Gina M.; Cotton, F. Albert; Murillo, Carlos A.; Ventura, Karen; Villagrán, Dino; Wang, Xiaoping
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 27
• Pages of publication: 9580 - 9589
• a: 13.6662 ± 0.0011 Å
• b: 13.6662 ± 0.0011 Å
• c: 15.052 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2811.2 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 126
• Hermann-Mauguin space group symbol: P 4/n n c :2
• Hall space group symbol: -P 4a 2bc
• Residual factor for all reflections: 0.11
• Residual factor for significantly intense reflections: 0.0983
• Weighted residual factors for significantly intense reflections: 0.2062
• Weighted residual factors for all reflections included in the refinement: 0.2123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.778
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No