Information card for entry 4312254

Structure parameters

• Formula: C94 H96 Bi4 O38 Ti4
• Calculated formula: C94 H96 Bi4 O38 Ti4
• SMILES: [Bi]123[O]=C4c5c(cccc5)O[Ti]56(O4)(OC(C)C)[O]([Bi]4([O]=C7c8c(cccc8)O[Ti]89(O7)(Oc7ccccc7C(=O)[O]8[Bi]7([O]=C8c%10c(cccc%10)O[Ti]%10%11(Oc%12ccccc%12C(=O)[O]%10[Bi]%10([O]=C%12c%13c(cccc%13)O[Ti]%13(Oc%14c(cccc%14)C(=O)[O]2%13)(OC(C)C)([O]3C(C)C)O%12)(Oc2ccccc2C(O%10)=[O]7)[O]%11C(C)C)(O8)OC(C)C)[O]9C(C)C)OC(C)C)(Oc2ccccc2C(=[O]4)O1)[O]6C(=O)c1c(cccc1)O5)C(C)C
• Title of publication: Heterobimetallic Bi(III)-Ti(IV) Coordination Complexes: Synthesis and Solid-State Structures of BiTi4(sal)6(μ-OiPr)3(OiPr)4, and the Cyclic Isomers Bi4Ti4(sal)10(μ-OiPr)4(OiPr)4 and Bi8Ti8(sal)20(μ-OiPr)8(OiPr)8
• Authors of publication: John H. Thurston; Arvind Kumar; Cristina Hofmann; Kenton H. Whitmire
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 8427 - 8436
• a: 13.551 ± 0.003 Å
• b: 14.397 ± 0.003 Å
• c: 16.376 ± 0.003 Å
• α: 66.7 ± 0.03°
• β: 76.71 ± 0.03°
• γ: 79.71 ± 0.03°
• Cell volume: 2841.9 ± 1.2 ų
• Cell temperature: 293 ± 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: 0.063
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.1265
• Weighted residual factors for all reflections included in the refinement: 0.1374
• Goodness-of-fit parameter for all reflections included in the refinement: 0.71
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No