Information card for entry 7214870

Structure parameters

• Formula: C18 H100 Cu3 N12 O96 Pr2 Si2 W22
• Calculated formula: C18 H60 Cu3 N12 O96 Pr2 Si2 W22
• Title of publication: Novel 1-D double-chain organic‒inorganic hybrid polyoxotungstates constructed from dimeric copper‒lanthanide heterometallic silicotungstate units
• Authors of publication: Zhao, Junwei; Luo, Jie; Chen, Lijuan; Yuan, Jing; Li, Huiying; Ma, Pengtao; Wang, Jingping; Niu, Jingyang
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 23
• Pages of publication: 7981
• a: 11.4614 ± 0.0019 Å
• b: 12.537 ± 0.002 Å
• c: 21.337 ± 0.003 Å
• α: 86.035 ± 0.003°
• β: 76.034 ± 0.003°
• γ: 74.011 ± 0.003°
• Cell volume: 2860.2 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0882
• Residual factor for significantly intense reflections: 0.0603
• Weighted residual factors for significantly intense reflections: 0.143
• Weighted residual factors for all reflections included in the refinement: 0.1516
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No