Information card for entry 4135394

Structure parameters

• Common name: Fe-THQ
• Chemical name: Fe-THQ
• Formula: C18 Fe4 O24
• Calculated formula: C18 Fe4 O24
• Title of publication: Valence-Dependent Electrical Conductivity in a 3D Tetrahydroxyquinone-Based Metal-Organic Framework.
• Authors of publication: Chen, Gan; Gee, Leland B.; Xu, Wenqian; Zhu, Yanbing; Lezama-Pacheco, Juan S; Huang, Zhehao; Li, Zongqi; Babicz, Jr, Jeffrey T; Choudhury, Snehashis; Chang, Ting-Hsiang; Reed, Evan; Solomon, Edward I.; Bao, Zhenan
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• Journal volume: 142
• Journal issue: 51
• Pages of publication: 21243 - 21248
• a: 10.5457 ± 0.0002 Å
• b: 10.5457 ± 0.0002 Å
• c: 10.5457 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1172.81 ± 0.04 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Ambient diffracton pressure: 101 kPa
• Number of distinct elements: 3
• Space group number: 200
• Hermann-Mauguin space group symbol: P m -3
• Hall space group symbol: -P 2 2 3
• RFsqd: 0.0695
• Goodness-of-fit parameter for all reflections: 4.485
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.44811 Å
• Diffraction radiation type: Synchrotronmono-beam
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No