Information card for entry 7211241

Structure parameters

• Formula: C22 H25 Bi Cl6 N4 O3 S
• Calculated formula: C22 H25 Bi Cl6 N4 O3 S
• 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: 19.2567 ± 0.0008 Å
• b: 13.3429 ± 0.0005 Å
• c: 12.3084 ± 0.0007 Å
• α: 90°
• β: 107.434 ± 0.003°
• γ: 90°
• Cell volume: 3017.2 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1143
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.05
• Weighted residual factors for all reflections included in the refinement: 0.0607
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No