Information card for entry 7106444

Structure parameters

• Formula: C284 H452 Fe4 O84
• Calculated formula: C171.88 H199.64 Fe4 O28
• Title of publication: An Expanded Neutral M4L6 Cage that Encapsulates Four Tetrahydrofuran Molecules
• Authors of publication: Lindoy, Leonard
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 6042
• a: 34.877 ± 0.003 Å
• b: 34.877 ± 0.003 Å
• c: 23.646 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 28763 ± 5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.1249
• Residual factor for significantly intense reflections: 0.0821
• Weighted residual factors for significantly intense reflections: 0.2143
• Weighted residual factors for all reflections included in the refinement: 0.2407
• Goodness-of-fit parameter for all reflections included in the refinement: 0.917
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No