Information card for entry 4331620

Structure parameters

• Formula: C22 H29 As Cu2 Mo3 N12 O12
• Calculated formula: C22 H29 As Cu2 Mo3 N12 O12
• Title of publication: Four New Three-Dimensional Polyoxometalate-Based Metal-Organic Frameworks Constructed From [Mo6O18(O3AsPh)2]4- Polyoxoanions and Copper(I)-Organic Fragments: Syntheses, Structures, Electrochemistry, and Photocatalysis Properties
• Authors of publication: Bo Liu; Jin Yang; Guo-Cheng Yang; Jian-Fang Ma
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 84 - 94
• a: 11.3976 ± 0.0003 Å
• b: 13.3822 ± 0.0004 Å
• c: 13.3964 ± 0.0005 Å
• α: 109.716 ± 0.003°
• β: 96.413 ± 0.002°
• γ: 107.931 ± 0.002°
• Cell volume: 1776.28 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0513
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.1064
• Weighted residual factors for all reflections included in the refinement: 0.1092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No