Information card for entry 4063897

Structure parameters

• Chemical name: [sulfanediylbis(methanediylbenzene-2,1-diyl)]bis(diphenylbismuthane)
• Formula: C38 H32 Bi2 S
• Calculated formula: C38 H32 Bi2 S
• SMILES: [Bi]1(S2([Bi](c3c(C2)cccc3)(c2ccccc2)c2ccccc2)Cc2c1cccc2)(c1ccccc1)c1ccccc1
• Title of publication: Hybrid Dibismuthines and Distibines: Preparation and Properties of Antimony and Bismuth Oxygen, Sulfur, and Nitrogen Donor Ligands
• Authors of publication: Benjamin, Sophie L.; Karagiannidis, Louise; Levason, William; Reid, Gillian; Rogers, Michael C.
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 4
• Pages of publication: 895
• a: 11.2692 ± 0.001 Å
• b: 12.8951 ± 0.001 Å
• c: 22.4136 ± 0.0015 Å
• α: 90°
• β: 101.793 ± 0.004°
• γ: 90°
• Cell volume: 3188.3 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• 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: 0.0373
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0577
• Weighted residual factors for all reflections included in the refinement: 0.0608
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No