Information card for entry 4106883

Structure parameters

• Formula: C24 Cr4 Mn2 N8 O53
• Calculated formula: C24 Cr4 Mn2 N8 O53
• Title of publication: High Proton Conduction in a Chiral Ferromagnetic Metal-Organic Quartz-like Framework
• Authors of publication: Emilio Pardo; Cyrille Train; Geoffrey Gontard; Kamal Boubekeur; Oscar Fabelo; Hongbo Liu; Brahim Dkhil; Francesc Lloret; Kosuke Nakagawa; Hiroko Tokoro; Shin-ichi Ohkoshi; Michel Verdaguer
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 15328 - 15331
• a: 19.411 ± 0.002 Å
• b: 19.411 ± 0.002 Å
• c: 16.0339 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5232 ± 0.9 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 179
• Hermann-Mauguin space group symbol: P 65 2 2
• Hall space group symbol: P 65 2 (0 0 1)
• Residual factor for all reflections: 0.0828
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.1484
• Weighted residual factors for all reflections included in the refinement: 0.1621
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No