Information card for entry 7049948

Structure parameters

• Formula: C60 H40 Mn N10 O4
• Calculated formula: C60 H40 Mn N10 O4
• Title of publication: Two novel metal-organic frameworks based on pyridyl-imidazole-carboxyl multifunctional ligand: selective CO₂ capture and multiresponsive luminescence sensor.
• Authors of publication: Feng, Dou-Dou; Zhao, Yu-Di; Wang, Xiao-Qing; Fang, Dong-Dong; Tang, Jing; Fan, Li-Ming; Yang, Jie
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 29
• Pages of publication: 10892 - 10900
• a: 4.841 ± 0.0006 Å
• b: 23.11 ± 0.002 Å
• c: 24.261 ± 0.002 Å
• α: 90°
• β: 93.418 ± 0.002°
• γ: 90°
• Cell volume: 2709.4 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2412
• Residual factor for significantly intense reflections: 0.1069
• Weighted residual factors for significantly intense reflections: 0.2523
• Weighted residual factors for all reflections included in the refinement: 0.3287
• Goodness-of-fit parameter for all reflections included in the refinement: 0.941
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No