Information card for entry 4507517

Structure parameters

• Formula: C24 H8 O32 S4 Zr6.13
• Calculated formula: C24 H8 O32 S4 Zr6.45
• Title of publication: Zr- and Hf-Based Metal‒Organic Frameworks: Tracking Down the Polymorphism
• Authors of publication: Bon, Volodymyr; Senkovska, Irena; Baburin, Igor A.; Kaskel, Stefan
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 3
• Pages of publication: 1231
• a: 39.12 ± 0.005 Å
• b: 39.12 ± 0.005 Å
• c: 39.12 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 59868 ± 13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0709
• Residual factor for significantly intense reflections: 0.0705
• Weighted residual factors for significantly intense reflections: 0.2061
• Weighted residual factors for all reflections included in the refinement: 0.2064
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.88561 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No