Information card for entry 7718034

Structure parameters

• Formula: C70 H74 N18 O12 Pd2
• Calculated formula: C70 H74 N18 O12 Pd2
• Title of publication: A stimuli-responsive dimeric capsule built from an acridine-based metallacycle for ratiometric fluorescence sensing of TNP.
• Authors of publication: Jin, Qi-Qi; Duan, Xiao-Fang; Yan, Dan-Ni; Yin, Fan; Li, Chen-Chen; Zhou, Li-Peng; Cai, Li-Xuan; Sun, Qing-Fu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 12
• Pages of publication: 4998 - 5005
• a: 17.1274 ± 0.0002 Å
• b: 17.2676 ± 0.0003 Å
• c: 19.275 ± 0.0003 Å
• α: 115.38 ± 0.002°
• β: 95.027 ± 0.001°
• γ: 104.823 ± 0.001°
• Cell volume: 4850.3 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0742
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.2113
• Weighted residual factors for all reflections included in the refinement: 0.2256
• Goodness-of-fit parameter for all reflections included in the refinement: 0.933
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No