Information card for entry 4106667

Structure parameters

• Formula: C212 H216 B8 F32 Fe4 N44 O40
• Calculated formula: C192 H155.5 Fe4 N24
• Title of publication: Controlling the Transmission of Stereochemical Information through Space in Terphenyl-Edged Fe4L6 Cages
• Authors of publication: Wenjing Meng; Jack K. Clegg; John D. Thoburn; Jonathan R. Nitschke
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 13652 - 13660
• a: 32.3941 ± 0.0019 Å
• b: 47.504 ± 0.003 Å
• c: 36.205 ± 0.002 Å
• α: 90°
• β: 104.098 ± 0.002°
• γ: 90°
• Cell volume: 54036 ± 6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1809
• Residual factor for significantly intense reflections: 0.1354
• Weighted residual factors for significantly intense reflections: 0.3483
• Weighted residual factors for all reflections included in the refinement: 0.3726
• Goodness-of-fit parameter for all reflections included in the refinement: 1.176
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No