Information card for entry 7047667

Structure parameters

• Formula: C52 H64 Ca2 Mo24 N8 Na4 O132 P16
• Calculated formula: C52 H64 Ca2 Mo24 N8 Na4 O136 P16
• 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: 31.777 ± 0.0004 Å
• b: 31.777 ± 0.0004 Å
• c: 36.0323 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 36384.6 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 142
• Hermann-Mauguin space group symbol: I 41/a c d
• Hall space group symbol: -I 4bd 2c
• Residual factor for all reflections: 0.0855
• Residual factor for significantly intense reflections: 0.0686
• Weighted residual factors for significantly intense reflections: 0.1484
• Weighted residual factors for all reflections included in the refinement: 0.1622
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No