Information card for entry 7240356

Structure parameters

• Formula: C24 H18 Bi Br
• Calculated formula: C24 H18 Bi Br
• Title of publication: Evaluation of bismuth-based dispersion energy donors - synthesis, structure and theoretical study of 2-biphenylbismuth(iii) derivatives.
• Authors of publication: Fritzsche, Ana-Maria; Scholz, Sebastian; Krasowska, Małgorzata; Bhattacharyya, Kalishankar; Toma, Ana Maria; Silvestru, Cristian; Korb, Marcus; Rüffer, Tobias; Lang, Heinrich; Auer, Alexander A.; Mehring, Michael
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2020
• Journal volume: 22
• Journal issue: 18
• Pages of publication: 10189 - 10211
• a: 9.9115 ± 0.0007 Å
• b: 15.7922 ± 0.0009 Å
• c: 13.3369 ± 0.0008 Å
• α: 90°
• β: 107.717 ± 0.007°
• γ: 90°
• Cell volume: 1988.5 ± 0.2 ų
• Cell temperature: 115.7 ± 1 K
• Ambient diffraction temperature: 115.7 ± 1 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: 0.0447
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0624
• Weighted residual factors for all reflections included in the refinement: 0.0675
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No