Information card for entry 4336459

Structure parameters

• Formula: C12 H6 Fe3 O18
• Calculated formula: C12 H6 Fe3 O18
• Title of publication: A 3D Iron(II)-Based MOF with Squashed Cuboctahedral Nanoscopic Cages Showing Spin-Canted Long-Range Antiferromagnetic Ordering
• Authors of publication: Soumyabrata Goswami; Amit Adhikary; Himanshu Sekhar Jena; Soumava Biswas; Sanjit Konar
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 12064 - 12069
• a: 11.5656 ± 0.0011 Å
• b: 11.5662 ± 0.0011 Å
• c: 16.346 ± 0.002 Å
• α: 90°
• β: 90.444 ± 0.003°
• γ: 90°
• Cell volume: 2186.5 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0945
• Residual factor for significantly intense reflections: 0.0902
• Weighted residual factors for significantly intense reflections: 0.2458
• Weighted residual factors for all reflections included in the refinement: 0.2488
• Goodness-of-fit parameter for all reflections included in the refinement: 1.151
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No