Information card for entry 4510901

Structure parameters

• Formula: C50 H50 Bi4 Br18 N10 O12
• Calculated formula: C50 H40 Bi4 Br18 N10 O12
• Title of publication: ProtonatedN,N′-Dioxide-4,4′-bipyridine, an Interesting Synthon for the Building of Polar H-Bonded Networks?
• Authors of publication: Leblanc, Nicolas; Allain, Magali; Mercier, Nicolas; Cariati, Elena
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 12
• Pages of publication: 5200
• a: 9.522 ± 0.001 Å
• b: 15.132 ± 0.0005 Å
• c: 15.646 ± 0.002 Å
• α: 116.111 ± 0.006°
• β: 99.342 ± 0.008°
• γ: 91.892 ± 0.006°
• Cell volume: 1983.5 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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 significantly intense reflections: 0.0631
• Weighted residual factors for all reflections included in the refinement: 0.1816
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No