Information card for entry 7120236

Structure parameters

• Common name: tppe-Cd
• Chemical name: 1
• Formula: C46 H60 Cd Cl2 N4 O14
• Calculated formula: C46 H32 Cd Cl2 N4
• Title of publication: Two tetraphenylethene-containing coordination polymers for reversible mechanochromism
• Authors of publication: Zhao, Si-Si; Chen, Li; Wang, Lei; Xie, Zhigang
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 12.0617 ± 0.0012 Å
• b: 14.2056 ± 0.0011 Å
• c: 17.7773 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3046 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 23
• Hermann-Mauguin space group symbol: I 2 2 2
• Hall space group symbol: I 2 2
• Residual factor for all reflections: 0.044
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0807
• Weighted residual factors for all reflections included in the refinement: 0.0845
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No