Information card for entry 7220481

Structure parameters

• Formula: C20 H28 Mo8 N8 O26
• Calculated formula: C20 H28 Mo8 N8 O26
• SMILES: c1cc(cc[nH+]1)N.c1[nH+]ccc(c1)N.[O]12[Mo]34([O]5[Mo]61(O[Mo]17(O[Mo]892([O]2%103[Mo]3%11([O]%12[Mo]([O]83)([O]619[Mo]52%12(O[Mo]%10(O4)(O%11)(=O)=O)=O)(=O)(=O)O7)(=O)=O)=O)(=O)=O)(=O)=O)(=O)=O.c1cc(cc[nH+]1)N.c1cc(cc[nH+]1)N
• Title of publication: Ultra-high uptake and selective adsorption of organic dyes with a novel polyoxomolybdate-based organic-inorganic hybrid compound
• Authors of publication: Zhang, Yan-Qiu; Wang, Chongchen; Zhu, Tian; Wang, Peng; Gao, Shi-Jie
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 9.906 ± 0.004 Å
• b: 10.108 ± 0.004 Å
• c: 10.995 ± 0.004 Å
• α: 66.978 ± 0.004°
• β: 84.193 ± 0.005°
• γ: 74.144 ± 0.004°
• Cell volume: 974.7 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.064
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.1172
• Weighted residual factors for all reflections included in the refinement: 0.1392
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No