Information card for entry 4507520

Structure parameters

• Formula: C26.4 H8.8 Hf6.09 O32.8 S4.4
• Calculated formula: C26.4 H8.8 Hf6.092 O32.8 S4.4
• 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: 53.51 ± 0.006 Å
• b: 53.51 ± 0.006 Å
• c: 53.51 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 153216 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 229
• Hermann-Mauguin space group symbol: I m -3 m
• Hall space group symbol: -I 4 2 3
• Residual factor for all reflections: 0.0644
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for significantly intense reflections: 0.1853
• Weighted residual factors for all reflections included in the refinement: 0.1891
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.88561 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No