Information card for entry 7158066

Structure parameters

• Chemical name: (oxybis(2,1-phenylene))bis(dichlorodiphenyl-λ^5^-bismuthane)
• Formula: C36 H28 Bi2 Cl4 O
• Calculated formula: C36 H28 Bi2 Cl4 O
• SMILES: [Bi](Cl)(Cl)(c1ccccc1)(c1c(Oc2c([Bi](Cl)(Cl)(c3ccccc3)c3ccccc3)cccc2)cccc1)c1ccccc1
• Title of publication: Dibismuthanes in catalysis: from synthesis and characterization to redox behavior towards oxidative cleavage of 1,2-diols.
• Authors of publication: Magre, Marc; Kuziola, Jennifer; Nöthling, Nils; Cornella, Josep
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2021
• Journal volume: 19
• Journal issue: 22
• Pages of publication: 4922 - 4929
• a: 8.4334 ± 0.0005 Å
• b: 25.9105 ± 0.0015 Å
• c: 15.5944 ± 0.0009 Å
• α: 90°
• β: 91.06 ± 0.002°
• γ: 90°
• Cell volume: 3407 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0327
• Residual factor for significantly intense reflections: 0.0253
• Weighted residual factors for significantly intense reflections: 0.0521
• Weighted residual factors for all reflections included in the refinement: 0.0542
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No