Information card for entry 4501968

Structure parameters

• Formula: C39 H102 N6 Ni3 O92 P2 W18
• Calculated formula: C39 H42 N6 Ni3 O68 P2 W18
• Title of publication: Polyoxometalate-Based Porous Framework with Perovskite Topology
• Authors of publication: Wang, Xiao-Lan; Li, Yang-Guang; Lu, Ying; Fu, Hai; Su, Zhong-Min; Wang, En-Bo
• Journal of publication: Crystal Growth & Design
• Year of publication: 2010
• Journal volume: 10
• Journal issue: 10
• Pages of publication: 4227
• a: 29.557 ± 0.003 Å
• b: 29.557 ± 0.003 Å
• c: 29.557 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 25821 ± 5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 223
• Hermann-Mauguin space group symbol: P m -3 n
• Hall space group symbol: -P 4n 2 3
• Residual factor for all reflections: 0.1028
• Residual factor for significantly intense reflections: 0.0848
• Weighted residual factors for significantly intense reflections: 0.2146
• Weighted residual factors for all reflections included in the refinement: 0.2258
• Goodness-of-fit parameter for all reflections included in the refinement: 1.136
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No