Information card for entry 7709839

Structure parameters

• Formula: C40 H40 N4 O12 S Zn
• Calculated formula: C40 H40 N4 O12 S Zn
• Title of publication: Photomechanical behavior triggered by [2 + 2] cycloaddition and photochromism of pyridinium-functionalized coordination complex
• Authors of publication: Chen, Yun-Rui; Jia, Meng-Ze; Pan, Jia-Qi; Tan, Bin; Zhang, Jie
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 14.7108 ± 0.0017 Å
• b: 27.961 ± 0.002 Å
• c: 13.5892 ± 0.0013 Å
• α: 90°
• β: 116.576 ± 0.013°
• γ: 90°
• Cell volume: 4999 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0588
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.124
• Weighted residual factors for all reflections included in the refinement: 0.1374
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No