Information card for entry 7213867

Structure parameters

• Formula: C88 H100 Cd3 Cl2 N8 O34
• Calculated formula: C88 H64 Cd3 Cl2 N8 O34
• Title of publication: Anion-induced structural transformation involving interpenetration control and luminescence switching
• Authors of publication: Ren, Cai-Xia; Zheng, Ai-Li; Cai, Li-Xuan; Chen, Cheng; Tan, Bin; Zhang, Jie
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 6
• Pages of publication: 1038
• a: 18.433 ± 0.003 Å
• b: 17.712 ± 0.003 Å
• c: 30.096 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9826 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0752
• Residual factor for significantly intense reflections: 0.0648
• Weighted residual factors for significantly intense reflections: 0.2061
• Weighted residual factors for all reflections included in the refinement: 0.2198
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No