Information card for entry 7225010

Structure parameters

• Formula: C50 H40 N10 O54 Pb2 Si W12
• Calculated formula: C50 H40 N10 O54 Pb2 Si W12
• Title of publication: Assembly of two novel 3D organic‒inorganic hybrids based on Keggin-type polyoxometalates: syntheses, crystal structures and properties
• Authors of publication: Zhou, En-Long; Qin, Chao; Wang, Xin-Long; Shao, Kui-Zhan; Su, Zhong-Min
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 34
• Pages of publication: 6370
• a: 18.517 ± 0.0008 Å
• b: 15.842 ± 0.0011 Å
• c: 26.966 ± 0.005 Å
• α: 90 ± 0.001°
• β: 92.78 ± 0.001°
• γ: 90 ± 0.001°
• Cell volume: 7901.1 ± 1.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0508
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0549
• Weighted residual factors for all reflections included in the refinement: 0.0599
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No