Information card for entry 1565811

Structure parameters

• Formula: C80 H128 Mo24 N20 O87 P2 Zn8
• Calculated formula: C80 H128 Mo24 N20 O87 P2 Zn8
• Title of publication: Two isolated Zn-ε-Keggin decorated by pyridine-imidazole with excellent electrocatalytic and third-order NLO properties
• Authors of publication: Han, Ye-Min; Cheng, Wei-Wei; Cao, Jia-Peng; Yang, Mu-Xiu; Hong, Ya-Lin; Kang, Run-Kun; Xu, Yan
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2019
• Journal volume: 498
• Pages of publication: 119169
• a: 19.079 ± 0.003 Å
• b: 23.138 ± 0.003 Å
• c: 17.725 ± 0.003 Å
• α: 90°
• β: 104.692 ± 0.003°
• γ: 90°
• Cell volume: 7569 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0626
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.1231
• Weighted residual factors for all reflections included in the refinement: 0.1321
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No