Information card for entry 7225592

Structure parameters

• Formula: C40 H32 Cd Cl2 N4 O4
• Calculated formula: C40 H32 Cd Cl2 N4 O4
• Title of publication: Photodimerization of an olefin-containing pyridinium-based metal‒organic complex and isomerization of its cyclobutane product upon recrystallization
• Authors of publication: Cai, Li-Xuan; Chen, Cheng; Zhang, Ya-Jun; Yang, Xiao-Dong; Zhang, Jie
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 38
• Pages of publication: 7347
• a: 11.756 ± 0.003 Å
• b: 18.059 ± 0.005 Å
• c: 23.342 ± 0.006 Å
• α: 90°
• β: 104.947 ± 0.012°
• γ: 90°
• Cell volume: 4788 ± 2 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• 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: 0.0663
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1588
• Weighted residual factors for all reflections included in the refinement: 0.1692
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No