Information card for entry 7209174

Structure parameters

• Formula: C90 H70 Mn3 N16 O20
• Calculated formula: C90 H70 Mn3 N16 O20
• Title of publication: Mn(ii) metal‒organic frameworks based on Mn3 clusters: from 2D layer to 3D framework by the “pillaring” approach
• Authors of publication: Chen, Yong-Qiang; Liu, Sui-Jun; Li, Yun-Wu; Li, Guo-Rong; He, Kun-Huan; Chang, Ze; Bu, Xian-He
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 8
• Pages of publication: 1613
• a: 12.271 ± 0.003 Å
• b: 13.775 ± 0.003 Å
• c: 14.061 ± 0.003 Å
• α: 89.21 ± 0.02°
• β: 65.01 ± 0.03°
• γ: 71.28 ± 0.03°
• Cell volume: 2019.7 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1581
• Residual factor for significantly intense reflections: 0.0847
• Weighted residual factors for significantly intense reflections: 0.1569
• Weighted residual factors for all reflections included in the refinement: 0.1797
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No