Information card for entry 7228750

Structure parameters

• Formula: C36 H48 Cu4 N28 O52 Si W12
• Calculated formula: C36 H24 Cu4 N28 O52 Si W12
• Title of publication: Construction of 3D metal‒organic frameworks bearing heteropolyoxometalate units and multi-azole molecules and exploration of their photocatalytic activities
• Authors of publication: Gong, Chunhua; Zeng, Xianghua; Xin, Li; Zhang, Junyong; Xie, Jingli
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 59
• Pages of publication: 36860
• a: 10.8478 ± 0.0003 Å
• b: 13.1152 ± 0.0003 Å
• c: 27.6434 ± 0.0006 Å
• α: 90°
• β: 98.886 ± 0.002°
• γ: 90°
• Cell volume: 3885.65 ± 0.16 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0903
• Residual factor for significantly intense reflections: 0.0868
• Weighted residual factors for significantly intense reflections: 0.1857
• Weighted residual factors for all reflections included in the refinement: 0.187
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No