Information card for entry 4516142

Structure parameters

• Formula: C32 H48 Bi2 Br10 N4
• Calculated formula: C32 H48 Bi2 Br10 N4
• SMILES: [Bi]1(Br)(Br)(Br)(Br)[Br][Bi]([Br]1)(Br)(Br)(Br)Br.[NH3+][C@H](c1ccccc1)C.[NH3+][C@H](c1ccccc1)C.[NH3+][C@H](c1ccccc1)C.[NH3+][C@H](c1ccccc1)C
• Title of publication: [((<i>R</i>)-C₈H₁₂N)₄][Bi₂Br₁₀] and [((<i>S</i>)-C₈H₁₂N)₄][Bi₂Br₁₀]: Chiral Hybrid Bismuth Bromides Templated by Chiral Organic Cations.
• Authors of publication: Moon, Tae Hwan; Oh, Seung-Jin; Ok, Kang Min
• Journal of publication: ACS omega
• Year of publication: 2018
• Journal volume: 3
• Journal issue: 12
• Pages of publication: 17895 - 17903
• a: 11.997 ± 0.002 Å
• b: 14.728 ± 0.003 Å
• c: 13.94 ± 0.003 Å
• α: 90°
• β: 93.44 ± 0.03°
• γ: 90°
• Cell volume: 2458.6 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0483
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.084
• Weighted residual factors for all reflections included in the refinement: 0.0884
• Goodness-of-fit parameter for all reflections included in the refinement: 0.955
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.63 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No