Information card for entry 7120237

Structure parameters

• Common name: tppe-Cd
• Chemical name: 2
• Formula: C46 H52 Cd Cl2 N4 O10
• 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: 19.1291 ± 0.001 Å
• b: 12.4363 ± 0.0006 Å
• c: 22.797 ± 0.0015 Å
• α: 90°
• β: 98.859 ± 0.006°
• γ: 90°
• Cell volume: 5358.6 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.2077
• Residual factor for significantly intense reflections: 0.0766
• Weighted residual factors for significantly intense reflections: 0.1054
• Weighted residual factors for all reflections included in the refinement: 0.1242
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No