Information card for entry 4331624

Structure parameters

• Formula: C16 H21 As Cu2 Mo3 N6 O12
• Calculated formula: C16 H21 As Cu2 Mo3 N6 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: 11.4377 ± 0.0002 Å
• b: 19.3351 ± 0.0003 Å
• c: 14.3898 ± 0.0004 Å
• α: 90°
• β: 128.486 ± 0.001°
• γ: 90°
• Cell volume: 2490.97 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0309
• Residual factor for significantly intense reflections: 0.0224
• Weighted residual factors for significantly intense reflections: 0.0478
• Weighted residual factors for all reflections included in the refinement: 0.0487
• Goodness-of-fit parameter for all reflections included in the refinement: 0.946
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No