Information card for entry 4312253

Structure parameters

• Formula: C63 H73 Bi O25 Ti4
• Calculated formula: C63 H73 Bi O25 Ti4
• SMILES: [Bi]1234567[O](C(C)C)[Ti]89%10(Oc%11ccccc%11C(=[O]8)O[Ti]8%11([O](C(C)C)[Ti]%12(Oc%13ccccc%13C(=[O]2)[O]1%12)([O]=C1O[Ti]2(Oc%12ccccc%12C([O]32)=[O]4)([O]=C([O]79)c2c(O%10)cccc2)(Oc2ccccc12)OC(C)C)([O]%11C(C)C)OC(C)C)(Oc1ccccc1C([O]58)=[O]6)OC(C)C)OC(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: 12.13 ± 0.002 Å
• b: 15.073 ± 0.003 Å
• c: 23.789 ± 0.005 Å
• α: 98.62 ± 0.03°
• β: 101.38 ± 0.03°
• γ: 113.55 ± 0.03°
• Cell volume: 3780.1 ± 1.9 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: 0.1326
• Residual factor for significantly intense reflections: 0.0723
• Weighted residual factors for significantly intense reflections: 0.1876
• Weighted residual factors for all reflections included in the refinement: 0.2166
• Goodness-of-fit parameter for all reflections included in the refinement: 0.902
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No