Information card for entry 7035894

Structure parameters

• Chemical name: alpha-[BiBr3(bp2mo)2]
• Formula: C20 H16 Bi Br3 N4 O2
• Calculated formula: C20 H16 Bi Br3 N4 O2
• SMILES: [Bi]12([O]=n3c(c4[n]1cccc4)cccc3)(Br)(Br)(Br)[n]1c(c3n(=[O]2)cccc3)cccc1
• Title of publication: Aggregation induced phosphorescent N-oxyde-2,2'-bipyridine bismuth complexes and polymorphism-dependent emission.
• Authors of publication: Toma, Oksana; Mercier, Nicolas; Allain, Magali; Forni, Alessandra; Meinardi, Francesco; Botta, Chiara
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 33
• Pages of publication: 14589 - 14593
• a: 9.6004 ± 0.0004 Å
• b: 15.6899 ± 0.0004 Å
• c: 22.9678 ± 0.0005 Å
• α: 97.535 ± 0.002°
• β: 93.734 ± 0.003°
• γ: 96.04 ± 0.003°
• Cell volume: 3399.76 ± 0.18 ų
• Cell temperature: 293 ± 0.1 K
• Ambient diffraction temperature: 293 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0384
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for significantly intense reflections: 0.07
• Weighted residual factors for all reflections included in the refinement: 0.0995
• Goodness-of-fit parameter for all reflections included in the refinement: 1.171
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No