Information card for entry 4117429

Structure parameters

• Formula: C19 H22 Fe0.5 I2 N2.5 O0.75
• Calculated formula: C19 H22 Fe0.5 I2 N2.5 O0.75
• Title of publication: Redox Control of Rotary Motions in Ferrocene-Based Elemental Ball Bearings
• Authors of publication: Adriana Iordache; Mircea Oltean; Anne Milet; Fabrice Thomas; Benoît Baptiste; Eric Saint-Aman; Christophe Bucher
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 2653 - 2671
• a: 10.448 ± 0.002 Å
• b: 13.901 ± 0.003 Å
• c: 15.153 ± 0.003 Å
• α: 101.2 ± 0.03°
• β: 92.25 ± 0.03°
• γ: 95.77 ± 0.03°
• Cell volume: 2144 ± 0.8 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1102
• Residual factor for significantly intense reflections: 0.0893
• Weighted residual factors for significantly intense reflections: 0.2206
• Weighted residual factors for all reflections included in the refinement: 0.2304
• Goodness-of-fit parameter for all reflections included in the refinement: 1.16
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No