Information card for entry 4003221

Structure parameters

• Common name: MnAQDC
• Chemical name: 'Mn7(2,7-AQDC)7(2,6-AQDC)(DMA)6'
• Formula: C130 H78 Mn7 N4 O48
• Calculated formula: C130 H78 Mn7 N4 O48
• Title of publication: Discovery of a “Bipolar Charging” Mechanism in the Solid-State Electrochemical Process of a Flexible Metal‒Organic Framework
• Authors of publication: Zhang, Zhongyue; Yoshikawa, Hirofumi; Awaga, Kunio
• Journal of publication: Chemistry of Materials
• Year of publication: 2016
• Journal volume: 28
• Journal issue: 5
• Pages of publication: 1298
• a: 14.615 ± 0.003 Å
• b: 16.585 ± 0.003 Å
• c: 20.559 ± 0.004 Å
• α: 99.33 ± 0.03°
• β: 107.46 ± 0.03°
• γ: 100.74 ± 0.03°
• Cell volume: 4542 ± 2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.1727
• Residual factor for significantly intense reflections: 0.1006
• Weighted residual factors for significantly intense reflections: 0.2658
• Weighted residual factors for all reflections included in the refinement: 0.321
• Goodness-of-fit parameter for all reflections included in the refinement: 0.941
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No