Information card for entry 4513639

Structure parameters

• Formula: C35 H39 Cu N6 O47 P W12
• Calculated formula: C35 H37 Cu N6 O47 P W12
• Title of publication: Anion−π Interaction-Directed Assembly of Polyoxometalate-Based Host‒Guest Compounds and Its Contribution to Photochromism
• Authors of publication: Liao, Jian-Zhen; Wu, Xiao-Yuan; Yong, Jian-Ping; Zhang, Hai-Long; Yang, Wen-Bing; Yu, Rongmin; Lu, Can-Zhong
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 10
• Pages of publication: 4952
• a: 16.1091 ± 0.0008 Å
• b: 24.0118 ± 0.0017 Å
• c: 30.5833 ± 0.0016 Å
• α: 90°
• β: 96.215 ± 0.005°
• γ: 90°
• Cell volume: 11760.4 ± 1.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1605
• Residual factor for significantly intense reflections: 0.0899
• Weighted residual factors for significantly intense reflections: 0.1921
• Weighted residual factors for all reflections included in the refinement: 0.2154
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No