Information card for entry 7158062

Structure parameters

• Chemical name: 4,6-bis(dichlorodiphenyl-l5-bismuthanyl)dibenzo[b,d]furan
• Formula: C36 H26 Bi2 Cl4 O
• Calculated formula: C36 H26 Bi2 Cl4 O
• SMILES: [Bi](Cl)(Cl)(c1c2oc3c(c2ccc1)cccc3[Bi](Cl)(Cl)(c1ccccc1)c1ccccc1)(c1ccccc1)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: 9.0281 ± 0.0004 Å
• b: 12.188 ± 0.0005 Å
• c: 15.1195 ± 0.0006 Å
• α: 101.289 ± 0.002°
• β: 90.246 ± 0.002°
• γ: 95.156 ± 0.002°
• Cell volume: 1624.47 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0408
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0527
• Weighted residual factors for all reflections included in the refinement: 0.0566
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No