Information card for entry 7047665

Structure parameters

• Formula: C6 H29.5 K0.1 Mo6 N6 Na0.9 O33.25 P4
• Calculated formula: C6 H31.7 K0.1 Mo6 N6 Na0.9 O33.25 P4
• SMILES: [Mo]12345([Mo]67(O2)(O[Mo]289([Mo]%10%11(O2)(O8)(O[Mo]28%12([Mo](O2)([O]1P(=O)([O]%108)[O]69)(OP(=O)(O4)[O-])(O%12)(O5)=O)(OP(=O)(O%11)[O-])=O)=O)(=O)OP(=O)(O7)[O-])(O3)=O)=O.[Na+].C(C[NH3+])[NH3+].C(C[NH3+])[NH3+].O.O.O.[NH3+]CC[NH3+]
• Title of publication: Novel fully reduced phosphomolybdates for highly efficient removal of inorganic hexavalent chromium and organic dye methylene blue
• Authors of publication: Tian, Xuerui; Hou, Lin; Wang, Jiaojiao; Xin, Xing; Zhang, Heng; Ma, Yuan-Yuan; Wang, Yali; Zhang, Lina; Han, Zhangang
• Journal of publication: Dalton Transactions
• Year of publication: 2018
• a: 12.138 ± 0.003 Å
• b: 14.763 ± 0.004 Å
• c: 21.449 ± 0.006 Å
• α: 80.601 ± 0.004°
• β: 82.922 ± 0.003°
• γ: 76.161 ± 0.003°
• Cell volume: 3667.6 ± 1.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0653
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.1428
• Weighted residual factors for all reflections included in the refinement: 0.1719
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No