Information card for entry 7236175

Structure parameters

• Formula: C42 H26 Mn3 N6 O20
• Calculated formula: C42 H26 Mn3 N6 O20
• Title of publication: Metal nuclearity affects network connectivity: a series of highly connected metal‒organic frameworks based on polynuclear metal clusters as secondary building units
• Authors of publication: Xu, Yu-Ci; Chen, Yu; Qiu, Hai-Jiang; Zeng, Xiao-Shan; Xu, Hui-Ling; Li, Jie; Zeng, Yong-Fei; Xiao, Dong-Rong
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 42
• Pages of publication: 8182
• a: 9.7826 ± 0.0002 Å
• b: 10.3101 ± 0.0002 Å
• c: 12.1333 ± 0.0003 Å
• α: 112.088 ± 0.002°
• β: 101.488 ± 0.002°
• γ: 94.1132 ± 0.0018°
• Cell volume: 1096.65 ± 0.05 ų
• Cell temperature: 289.03 ± 0.1 K
• Ambient diffraction temperature: 289.03 ± 0.1 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: 0.044
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.1281
• Weighted residual factors for all reflections included in the refinement: 0.1298
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No