Information card for entry 7245095

Structure parameters

• Formula: C62 H50 N2 O12 Zn2
• Calculated formula: C62 H50 N2 O12 Zn2
• Title of publication: Reversible luminescence tuning behavior in a thermal-stimuli-responsive anthracene-based coordination polymer
• Authors of publication: Li, Yanli; Li, Huijun; Liu, Yicheng; Xu, Zhouqing
• Journal of publication: CrystEngComm
• Year of publication: 2022
• a: 13.8555 ± 0.0003 Å
• b: 11.553 ± 0.0003 Å
• c: 32.4314 ± 0.0008 Å
• α: 90°
• β: 93.67 ± 0.001°
• γ: 90°
• Cell volume: 5180.7 ± 0.2 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 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: 0.0681
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.0929
• Weighted residual factors for all reflections included in the refinement: 0.1035
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No