Information card for entry 7117696

Structure parameters

• Formula: C84 H76 Bi Cl3 F2 N2 Sn
• Calculated formula: C84 H76 Bi Cl3 F2 N2 Sn
• Title of publication: A neutral low-coordinate heterocyclic bismuth-in species
• Authors of publication: C. Hering-Junghans; A. Schulz; A. Villinger
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 13834
• a: 21.3654 ± 0.0009 Å
• b: 31.1166 ± 0.0011 Å
• c: 10.7124 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7121.8 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1493
• Residual factor for significantly intense reflections: 0.0663
• Weighted residual factors for significantly intense reflections: 0.099
• Weighted residual factors for all reflections included in the refinement: 0.1232
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No