Information card for entry 7225653

Structure parameters

• Formula: C15 H18 Bi2 Br11 N3
• Calculated formula: C15 H18 Bi2 Br11 N3
• Title of publication: Heterogeneous bromination of alkenes using Bi(III) polybromide complexes as {Br2} source
• Authors of publication: Adonin, Sergey A.; Perekalin, Dmitry S.; Gorokh, Igor D.; Samsonenko, Denis G.; Sokolov, Maksim Nailyevich; Fedin, Vladimir P.
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 7.8459 ± 0.0002 Å
• b: 23.3803 ± 0.0004 Å
• c: 9.4868 ± 0.0002 Å
• α: 90°
• β: 110.37 ± 0.003°
• γ: 90°
• Cell volume: 1631.43 ± 0.07 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 5
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0319
• Residual factor for significantly intense reflections: 0.0252
• Weighted residual factors for significantly intense reflections: 0.0532
• Weighted residual factors for all reflections included in the refinement: 0.0556
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No