Information card for entry 7214871

Structure parameters

• Formula: C18 H100 Cu3 N12 Nd2 O96 Si2 W22
• Calculated formula: C18 H60 Cu3 N12 Nd2 O96 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: 11.44 ± 0.006 Å
• b: 12.59 ± 0.007 Å
• c: 21.23 ± 0.012 Å
• α: 85.652 ± 0.011°
• β: 76.025 ± 0.01°
• γ: 73.8 ± 0.011°
• Cell volume: 2849 ± 3 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: 0.177
• Residual factor for significantly intense reflections: 0.1103
• Weighted residual factors for significantly intense reflections: 0.2068
• Weighted residual factors for all reflections included in the refinement: 0.2197
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No