Information card for entry 4318334

Structure parameters

• Formula: C68 H64 Bi2 Nb2 O28
• Calculated formula: C68 H64 Bi2 Nb2 O28
• SMILES: [Bi]123([O]=C(c4c(cccc4)O)O1)(OC(=[O]2)c1c(cccc1)O)[O]=C1O[Nb]2(Oc4ccccc14)(OC(C)C)(OC(C)C)Oc1ccccc1C(O2)=[O][Bi]12([O]=C(c4c(cccc4)O)O1)(OC(=[O]2)c1c(cccc1)O)[O]=C1O[Nb]2(Oc4ccccc14)(OC(C)C)(OC(C)C)Oc1ccccc1C(O2)=[O]3
• Title of publication: Heterobimetallic Bismuth-Transition Metal Salicylate Complexes as Molecular Precursors for Ferroelectric Materials. Synthesis and Structure of Bi2M2(sal)4(Hsal)4(OR)4 (M = Nb, Ta; R = CH2CH3, CH(CH3)2), Bi2Ti3(sal)8(Hsal)2, and Bi2Ti4(OiPr)(sal)10(Hsal) (sal = O2CC6H4-2-O; Hsal = O2CC6H4-2-OH)
• Authors of publication: John H. Thurston; Kenton H. Whitmire
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 4194 - 4205
• a: 11.231 ± 0.002 Å
• b: 12.997 ± 0.003 Å
• c: 13.615 ± 0.003 Å
• α: 65.83 ± 0.03°
• β: 72.49 ± 0.03°
• γ: 85.07 ± 0.03°
• Cell volume: 1727.5 ± 0.8 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0381
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0911
• Weighted residual factors for all reflections included in the refinement: 0.0922
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No