Information card for entry 7243819

Structure parameters

• Formula: C52 H102 K4 Mo12 N2 O64 Si
• Calculated formula: C52 H102 K4 Mo12 N2 O64 Si
• Title of publication: Inorganic–organic hybrid supramolecular architectures based on Keggin polyoxometalates and crown ether: synthesis, crystal structure and electrochemical properties
• Authors of publication: Shi, Jianhang; Zhang, Hongxu; Wang, Peisen; Wang, Pai; Zha, Junjie; Liu, Yi; Gautam, Jagadis; Zhang, Lu-Nan; Wang, Yue; Xie, Ju; Ni, Lubin; Diao, Guowang; Wei, Yongge
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 48
• Pages of publication: 8482 - 8489
• a: 13.9162 ± 0.0005 Å
• b: 25.5541 ± 0.001 Å
• c: 14.1871 ± 0.0005 Å
• α: 90°
• β: 106.461 ± 0.001°
• γ: 90°
• Cell volume: 4838.4 ± 0.3 ų
• Cell temperature: 273.15 K
• Ambient diffraction temperature: 273.15 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: 0.0754
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.1054
• Weighted residual factors for all reflections included in the refinement: 0.1138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No