Information card for entry 7244531

Structure parameters

• Chemical name: [Ni2(btbu)4(H2O)2(SiW12O40)]
• Formula: C32 H54 N24 Ni2 O42 Si W12
• Calculated formula: C32 H54 N24 Ni2 O42 Si W12
• Title of publication: N-donor flexible ligands constructed polyoxometalate-based metal-organic frameworks as multifunctional electrocatalyts
• Authors of publication: Zhou, Qian; Yao, Jinzhen; Sun, Jing; Li, Xiao; Bao, Siqi; Su, Zhong-Min
• Journal of publication: CrystEngComm
• Year of publication: 2022
• a: 12.438 ± 0.002 Å
• b: 16.716 ± 0.003 Å
• c: 17.383 ± 0.003 Å
• α: 90°
• β: 102.122 ± 0.003°
• γ: 90°
• Cell volume: 3533.6 ± 1 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 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: 0.0675
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.1039
• Weighted residual factors for all reflections included in the refinement: 0.1072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.276
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No