Information card for entry 7232172

Structure parameters

• Formula: C3 H58 Mn2.5 Mo12 N5.5 Na4.5 O72.5 P8
• Calculated formula: C3 H39 Mn2.5 Mo12 N5.5 Na4.5 O72.5 P8
• Title of publication: Assembling [M(P4Mo6)2] (M = Na, Mn, Na/Cu) dimeric clusters via transition metal/sodium ions into 0D to 3D phosphomolybdates
• Authors of publication: Li, Wei; Zhu, Jian-Nan; Shen, Nan-Nan; Xiong, Wei-Wei; Huang, Xiao-Ying
• Journal of publication: CrystEngComm
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 6
• Pages of publication: 971
• a: 13.3983 ± 0.0001 Å
• b: 13.3983 ± 0.0001 Å
• c: 38.3301 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6880.81 ± 0.16 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 8
• Space group number: 95
• Hermann-Mauguin space group symbol: P 43 2 2
• Hall space group symbol: P 4cw 2c
• Residual factor for all reflections: 0.0304
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0741
• Weighted residual factors for all reflections included in the refinement: 0.0751
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No