Information card for entry 4128234

Structure parameters

• Formula: C87 H75 Mo9 N3 O31 P4
• Calculated formula: C87 H75 Mo9 N3 O31 P4
• SMILES: c1cccc[n]1[Mo]123([O]4=P56[O]78[Mo]9%10(O2)(=O)O[Mo]2%118(O[Mo]8(O[Mo]%12([n]%13ccccc%13)([O]6[Mo](O9)(O3)(=O)(=O)O%12)(=O)O2)(=O)(=O)[O]5[Mo]2(O[Mo]4(O[Mo]7(O2)(=O)(O%10)O%11)(=O)(=O)O1)([n]1ccccc1)(O8)=O)=O)=O.c1(ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.c1(ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.c1(ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Self-Assembly of Anionic Polyoxometalate-Organic Architectures Based on Lacunary Phosphomolybdates and Pyridyl Ligands.
• Authors of publication: Li, Chifeng; Mizuno, Noritaka; Yamaguchi, Kazuya; Suzuki, Kosuke
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 19
• Pages of publication: 7687 - 7692
• a: 25.075 ± 0.0002 Å
• b: 25.075 ± 0.0002 Å
• c: 57.2801 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 31190.1 ± 0.5 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.0801
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1641
• Weighted residual factors for all reflections included in the refinement: 0.1865
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No