Information card for entry 4348504

Structure parameters

• Formula: C54 H96 Cr4 Mn3 N6 O54
• Calculated formula: C48 H72 Cr4 Mn3 N6 O48
• Title of publication: Solvent-Dependent Self-Assembly of an Oxalato-Based Three-Dimensional Magnet Exhibiting a Novel Architecture.
• Authors of publication: Mon, Marta; Grancha, Thais; Verdaguer, Michel; Train, Cyrille; Armentano, Donatella; Pardo, Emilio
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 14
• Pages of publication: 6845 - 6847
• a: 26.3296 ± 0.0016 Å
• b: 26.3296 ± 0.0016 Å
• c: 23.314 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 13997 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 161
• Hermann-Mauguin space group symbol: R 3 c :H
• Hall space group symbol: R 3 -2"c
• Residual factor for all reflections: 0.0367
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0977
• Weighted residual factors for all reflections included in the refinement: 0.0994
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No