Information card for entry 7250583

Structure parameters

• Formula: C111 H109 Mn6 N15 O35
• Calculated formula: C111 H109 Mn6 N15 O35
• Title of publication: Construction of novel Mn-based metal–organic frameworks for regioselective cross-dehydrogenative coupling of coumarins and dimethylanilines
• Authors of publication: Sun, Qing; Yang, Chen; Han, Shaoyang; Liu, Xin; Li, Meichao; Shen, Zhenlu
• Journal of publication: CrystEngComm
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 29
• Pages of publication: 4985 - 4991
• a: 14.2545 ± 0.0007 Å
• b: 18.04 ± 0.0008 Å
• c: 30.3498 ± 0.0014 Å
• α: 91.749 ± 0.003°
• β: 96.795 ± 0.003°
• γ: 100.827 ± 0.003°
• Cell volume: 7600.6 ± 0.6 ų
• Cell temperature: 193 K
• Ambient diffraction temperature: 193 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: 0.1151
• Residual factor for significantly intense reflections: 0.0986
• Weighted residual factors for significantly intense reflections: 0.2722
• Weighted residual factors for all reflections included in the refinement: 0.2907
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No