Information card for entry 2021272

Structure parameters

• Formula: C20 H42 Mo6 N4 Ni O28
• Calculated formula: C20 H42 Mo6 N4 Ni O28
• SMILES: [Mo]123(=O)(=O)O[Mo]45([O]61[Ni]1789[OH]5[Mo]5%10([O]4CC(C6)(C[O]15[Mo]1(=O)(=O)(O[Mo]45([O]71CC1(C[O]4[Mo]([OH]85)(=O)(=O)(O2)[O]39C1)C)(=O)=O)O%10)C)(=O)=O)(=O)=O.O.O.O.O.Nc1[nH+]cccc1.[nH+]1c(N)cccc1
• Title of publication: Supramolecular interaction-induced assemblies of polyanions and 2-aminopyridinium in two polyoxometalate-based hybrids
• Authors of publication: Duan, Fengxue; Liu, Xiaoting; Xu, Wei; Tao, Yanchun; Li, Bao; Wu, Lixin
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 11
• a: 9.1173 ± 0.0011 Å
• b: 10.3631 ± 0.0014 Å
• c: 10.7022 ± 0.0015 Å
• α: 85.653 ± 0.005°
• β: 77.403 ± 0.005°
• γ: 83.439 ± 0.005°
• Cell volume: 979 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0301
• Residual factor for significantly intense reflections: 0.0213
• Weighted residual factors for significantly intense reflections: 0.0491
• Weighted residual factors for all reflections included in the refinement: 0.053
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes