Information card for entry 7038633

Structure parameters

• Formula: C199.5 H305.5 N34.5 O66.5 Zr6
• Calculated formula: C96 H64 O32 Zr6
• Title of publication: Postsynthetic bromination of UiO-66 analogues: altering linker flexibility and mechanical compliance.
• Authors of publication: Marshall, Ross J.; Richards, Tom; Hobday, Claire L.; Murphie, Colin F.; Wilson, Claire; Moggach, Stephen A.; Bennett, Thomas D.; Forgan, Ross S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 10
• Pages of publication: 4132 - 4135
• a: 29.8884 ± 0.0003 Å
• b: 29.8884 ± 0.0003 Å
• c: 29.8884 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 26699.8 ± 0.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 225
• Hermann-Mauguin space group symbol: F m -3 m
• Hall space group symbol: -F 4 2 3
• Residual factor for all reflections: 0.0902
• Residual factor for significantly intense reflections: 0.0761
• Weighted residual factors for all reflections: 0.0963
• Weighted residual factors for significantly intense reflections: 0.0871
• Weighted residual factors for all reflections included in the refinement: 0.0871
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0719
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No