Information card for entry 7242526

Structure parameters

• Chemical name: Bismuth 2-phenylisobutyrate
• Formula: C38 H49 Bi O8
• Calculated formula: C38 H49 Bi O8
• SMILES: [Bi]123([O]=C(O1)C(c1ccccc1)(C)C)(OC(=[O]2)C(c1ccccc1)(C)C)(OC(=[O]3)C(c1ccccc1)(C)C)[O]1CCCC1.O1CCCC1
• Title of publication: Heterobimetallic complexes composed of bismuth and lithium carboxylates as polyurethane catalysts ‒ alternatives to organotin compounds
• Authors of publication: Levent, Emre; Sala, Oliver; Wilm, Lukas F. B.; Löwe, Pawel; Dielmann, Fabian
• Journal of publication: Green Chemistry
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 7
• Pages of publication: 2747 - 2755
• a: 12.5878 ± 0.0006 Å
• b: 12.6544 ± 0.0006 Å
• c: 13.1098 ± 0.0006 Å
• α: 106.319 ± 0.003°
• β: 105.558 ± 0.002°
• γ: 107.521 ± 0.003°
• Cell volume: 1763.44 ± 0.16 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0501
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.0944
• Weighted residual factors for all reflections included in the refinement: 0.0986
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No