Information card for entry 7231303

Structure parameters

• Formula: C18 H6 Hf6 O33.08 Se1.56
• Calculated formula: C18 H6 Hf6 O33.08 Se1.56
• Title of publication: Efficient extraction of inorganic selenium from water by a Zr metal‒organic framework: investigation of volumetric uptake capacity and binding motifs
• Authors of publication: Drout, Riki J.; Howarth, Ashlee J.; Otake, Ken-ichi; Islamoglu, Timur; Farha, Omar K.
• Journal of publication: CrystEngComm
• Year of publication: 2018
• a: 35.286 ± 0.009 Å
• b: 35.286 ± 0.009 Å
• c: 35.286 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 43935 ± 19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 227
• Hermann-Mauguin space group symbol: F d -3 m
• Hall space group symbol: -F 4vw 2vw 3
• Residual factor for all reflections: 0.0994
• Residual factor for significantly intense reflections: 0.0636
• Weighted residual factors for significantly intense reflections: 0.152
• Weighted residual factors for all reflections included in the refinement: 0.1722
• Goodness-of-fit parameter for all reflections included in the refinement: 0.944
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No