Information card for entry 7158068

Structure parameters

• Chemical name: (9,9-dimethyl-9H-xanthene-4,5-diyl)bis(dichlorodiphenyl-λ^5^-bismuthane)
• Formula: C39.5 H33 Bi2 Cl5 O
• Calculated formula: C39.5 H33 Bi2 Cl5 O
• 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: 12.3959 ± 0.0006 Å
• b: 13.9993 ± 0.0006 Å
• c: 21.7582 ± 0.001 Å
• α: 90°
• β: 100.772 ± 0.002°
• γ: 90°
• Cell volume: 3709.3 ± 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0196
• Residual factor for significantly intense reflections: 0.016
• Weighted residual factors for significantly intense reflections: 0.0323
• Weighted residual factors for all reflections included in the refinement: 0.0339
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No