Information card for entry 7214877

Structure parameters

• Formula: C18 H98 Cu3 Er2 N12 O95 Si2 W22
• Calculated formula: C18 H60 Cu3 Er2 N12 O95 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: 11.33 ± 0.002 Å
• b: 12.531 ± 0.002 Å
• c: 21.364 ± 0.004 Å
• α: 85.211 ± 0.003°
• β: 75.145 ± 0.003°
• γ: 74.548 ± 0.003°
• Cell volume: 2825.5 ± 0.9 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: 0.1197
• Residual factor for significantly intense reflections: 0.0876
• Weighted residual factors for significantly intense reflections: 0.1728
• Weighted residual factors for all reflections included in the refinement: 0.181
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No