Information card for entry 7108452

Structure parameters

• Formula: C162 H144 Fe4 N36 O22 S4
• Calculated formula: C162 H144 Fe4 N36 O22 S4
• Title of publication: Sulfate-templated self-assembly of new M4L6 tetrahedral metal organic cages
• Authors of publication: Song Yi; Valentina Brega; Burjor Captain; Angel E. Kaifer
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 10295
• a: 22.1233 ± 0.0008 Å
• b: 22.1233 ± 0.0008 Å
• c: 22.1233 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10828 ± 0.7 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 197
• Hermann-Mauguin space group symbol: I 2 3
• Hall space group symbol: I 2 2 3
• Residual factor for all reflections: 0.0802
• Residual factor for significantly intense reflections: 0.0778
• Weighted residual factors for significantly intense reflections: 0.2187
• Weighted residual factors for all reflections included in the refinement: 0.2216
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No