Information card for entry 4318336

Structure parameters

• Formula: C80 H52 Bi2 O35 Ti4
• Calculated formula: C80 H52 Bi2 O35 Ti4
• SMILES: [Bi]123([O]=C4c5c(O[Ti]678(Oc9c(cccc9)C9=[O][Bi]%10%11%12([O]79)[O]=C7c9c(O[Ti]%13([O]%127)([O]=C7c%12c(O[Ti]%14%15(O7)([O]=C(O%10)c7c(O%15)cccc7)Oc7ccccc7C(=[O]%14)O3)cccc%12)(Oc3c(cccc3)C(=[O]%13)O[Ti]37([O]=C(O8)c8c(cccc8)O6)(OC(=[O]%11)c8c(O3)cccc8)[O]=C(O1)c1c(O7)cccc1)OC(C)C)cccc9)O4)cccc5)[O]=C(c1c(O)cccc1)O2.O
• 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: 15.143 ± 0.003 Å
• b: 33.02 ± 0.007 Å
• c: 19.147 ± 0.004 Å
• α: 90°
• β: 108.75 ± 0.03°
• γ: 90°
• Cell volume: 9066 ± 4 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1376
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for significantly intense reflections: 0.137
• Weighted residual factors for all reflections included in the refinement: 0.1517
• Goodness-of-fit parameter for all reflections included in the refinement: 0.853
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No