Information card for entry 7211239

Structure parameters

• Formula: C20 H18 Bi2 Br8 N4 O2
• Calculated formula: C20 H18 Bi2 Br8 N4 O2
• SMILES: c1cc(ccn1=[O][Bi]1(Br)(Br)(Br)[Br][Bi]([O]=n2ccc(cc2)c2cc[nH+]cc2)(Br)(Br)(Br)[Br]1)c1cc[nH+]cc1
• Title of publication: Protonated N-oxide-4,4′-bipyridine: from luminescent BiIII complexes to hybrids based on H-bonded dimers or H-bonded open 2D square supramolecular networks
• Authors of publication: Toma, Oksana; Mercier, Nicolas; Allain, Magali; Botta, Chiara
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 42
• Pages of publication: 8565
• a: 10.1031 ± 0.0006 Å
• b: 12.8928 ± 0.0005 Å
• c: 12.5741 ± 0.001 Å
• α: 90°
• β: 104.077 ± 0.006°
• γ: 90°
• Cell volume: 1588.68 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0764
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0509
• Weighted residual factors for all reflections included in the refinement: 0.0583
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No