Information card for entry 7105779

Structure parameters

• Formula: C71 H49 B Cl4 Cu F4 Fe N5
• Calculated formula: C71 H47 B Cl4 Cu F4 Fe N5
• Title of publication: Tuning-up and Driving a Redox-active Rotor
• Authors of publication: Shoko Kume; Hiroshi Nishihara
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 415
• a: 11.964 ± 0.005 Å
• b: 22.314 ± 0.005 Å
• c: 24.781 ± 0.005 Å
• α: 90 ± 0.005°
• β: 117.169 ± 0.012°
• γ: 90 ± 0.005°
• Cell volume: 5886 ± 3 ų
• Cell temperature: 113 K
• Ambient diffraction temperature: 113 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for all reflections included in the refinement: 0.1515
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No