Information card for entry 7236139

Structure parameters

• Chemical name: VNU-15
• Formula: C18 H21 Fe2 N2 O14 S2
• Calculated formula: C18 H21 Fe2 N2 O14 S2
• Title of publication: High proton conductivity at low relative humidity in an anionic Fe-based metal‒organic framework
• Authors of publication: Tu, Thach N.; Phan, Nghi Q.; Vu, Thanh T.; Nguyen, Ha L.; Cordova, Kyle E.; Furukawa, Hiroyasu
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2016
• Journal volume: 4
• Journal issue: 10
• Pages of publication: 3638
• a: 16.7581 ± 0.0007 Å
• b: 18.8268 ± 0.0009 Å
• c: 38.9998 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12304.5 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 70
• Hermann-Mauguin space group symbol: F d d d :2
• Hall space group symbol: -F 2uv 2vw
• Residual factor for all reflections: 0.0768
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.1226
• Weighted residual factors for all reflections included in the refinement: 0.1324
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No