Information card for entry 7236137

Structure parameters

• Formula: C84 H52 Hf6 N18 O32
• Calculated formula: C84 H52 Hf6 N18 O32
• Title of publication: Amino acids as highly efficient modulators for single crystals of zirconium and hafnium metal‒organic frameworks
• Authors of publication: Marshall, Ross J.; Hobday, Claire L.; Murphie, Colin F.; Griffin, Sarah L.; Morrison, Carole A.; Moggach, Stephen A.; Forgan, Ross S.
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2016
• Journal volume: 4
• Journal issue: 18
• Pages of publication: 6955
• a: 29.2116 ± 0.0009 Å
• b: 29.2116 ± 0.0009 Å
• c: 29.2116 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 24926.8 ± 1.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 150 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: 0.0901
• Residual factor for significantly intense reflections: 0.0739
• Weighted residual factors for all reflections: 0.1729
• Weighted residual factors for significantly intense reflections: 0.1634
• Weighted residual factors for all reflections included in the refinement: 0.1729
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9884
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No