Information card for entry 4506973

Structure parameters

• Formula: C68 H76 Mn3 N4 O23
• Calculated formula: C68 H64 Mn3 N4 O23
• Title of publication: Solvent-Controlled Syntheses, Structure, and Magnetic Properties of Trinuclear Mn(II)-Based Metal‒Organic Frameworks
• Authors of publication: Yi, Fei-Yan; Sun, Zhong-Ming
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 11
• Pages of publication: 5693
• a: 24 ± 0.003 Å
• b: 11.0768 ± 0.0014 Å
• c: 34.991 ± 0.005 Å
• α: 90°
• β: 99.66 ± 0.002°
• γ: 90°
• Cell volume: 9170 ± 2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• 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: 0.0793
• Residual factor for significantly intense reflections: 0.0631
• Weighted residual factors for significantly intense reflections: 0.1942
• Weighted residual factors for all reflections included in the refinement: 0.207
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No