Information card for entry 7047666

Structure parameters

• Formula: C13 H17 Mo6 N2 Na2 O39 P4 Sr
• Calculated formula: C13 H18 Mo6 N2 Na2 O39 P4 Sr
• SMILES: [Mo]12345([Mo]67(O1)(O[Mo]189([Mo]%10%11(O[Mo]%12%13%14([Mo](O%12)([O]2P(=O)([O]68)[O]%11%13)(O3)(O%14)(=O)OP(=O)(O5)[O-])(OP(=O)(O%10)[O-])=O)(O1)(O9)=O)(OP(=O)(O7)[O-])=O)(O4)=O)=O.[Sr+2].[Na+].[Na+].c1cc(cc[nH+]1)CCCc1cc[nH+]cc1.O.O.O.O.O.O.O.O
• 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: 13.4222 ± 0.0006 Å
• b: 13.8149 ± 0.0005 Å
• c: 14.9831 ± 0.0006 Å
• α: 69.457 ± 0.003°
• β: 72.168 ± 0.004°
• γ: 69.964 ± 0.004°
• Cell volume: 2388.88 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0522
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1091
• Weighted residual factors for all reflections included in the refinement: 0.1167
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No