Information card for entry 7118867

Structure parameters

• Formula: C28 H36 Bi Br13 N4
• Calculated formula: C28 H36 Bi Br13 N4
• SMILES: [n+]1(ccccc1)CCCC[n+]1ccccc1.[n+]1(ccccc1)CCCC[n+]1ccccc1.[Bi](Br)(Br)(Br)([Br][Br]Br)(Br)[Br-].BrBr.Br[Br-]Br
• Title of publication: Bi(iii) polybromides: a new chapter in coordination chemistry of bismuth.
• Authors of publication: Adonin, Sergey A.; Gorokh, Igor D.; Samsonenko, Denis G.; Sokolov, Maxim N.; Fedin, Vladimir P.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 28
• Pages of publication: 5061 - 5063
• a: 16.0606 ± 0.0004 Å
• b: 13.9864 ± 0.0003 Å
• c: 19.4745 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4374.56 ± 0.17 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0346
• Residual factor for significantly intense reflections: 0.0227
• Weighted residual factors for significantly intense reflections: 0.0339
• Weighted residual factors for all reflections included in the refinement: 0.0362
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No