Information card for entry 4313395

Structure parameters

• Formula: C81 H66 Bi2 Mg0 Nb2 O28
• Calculated formula: C81 H66 Bi2 Nb2 O28
• Title of publication: Molecular Precursors for Ferroelectric Materials: Synthesis and Characterization of Bi2M2(μ-O)(sal)4(Hsal)4(OEt)2 and BiM4(μ-O)4(sal)4(Hsal)3(OiPr)4 (sal = O2CC6H4O, Hsal = O2CC6H4OH) (M = Nb, Ta)
• Authors of publication: John H. Thurston; Kenton H. Whitmire
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 2014 - 2023
• a: 23.038 ± 0.005 Å
• b: 15.004 ± 0.003 Å
• c: 23.183 ± 0.005 Å
• α: 90°
• β: 100.18 ± 0.03°
• γ: 90°
• Cell volume: 7887 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0464
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.1111
• Weighted residual factors for all reflections included in the refinement: 0.1151
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No