Information card for entry 4065371

Structure parameters

• Formula: C98 H114 Ba O38 Sb14
• Calculated formula: C98 H77 Ba O37.28 Sb14
• Title of publication: New Sb12and Sb14Polyoxometalate Frameworks Derived from Arylstibonic Acids: [LiH3(p-MeC6H4Sb)12O28]4‒and [BaH10(p-MeC6H4Sb)14O34]
• Authors of publication: Nicholson, Brian K.; Clark, Christopher J.; Wright, Cody E.; Telfer, Shane G.; Groutso, Tania
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 24
• Pages of publication: 6612
• a: 15.7738 ± 0.0007 Å
• b: 16.622 ± 0.0008 Å
• c: 23.858 ± 0.0017 Å
• α: 103.274 ± 0.007°
• β: 104.929 ± 0.007°
• γ: 97.805 ± 0.007°
• Cell volume: 5755 ± 0.7 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.108
• Residual factor for significantly intense reflections: 0.0852
• Weighted residual factors for significantly intense reflections: 0.2122
• Weighted residual factors for all reflections included in the refinement: 0.2429
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No