Information card for entry 7719216

Structure parameters

• Formula: C12 H20 Bi I5 N2
• Calculated formula: C12 H20 Bi I5 N2
• Title of publication: Chiral organic hybrids for nonlinear optical applications and solvent-induced reversible red-yellow color change.
• Authors of publication: Yu, Hongli; Hao, Ruibin; Zhao, Dong; Chi, Lingyu; Zhao, Xianlong; Cui, Yibo; Liu, Kunjie; Zhao, Jing; Liu, Quanlin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 30
• Pages of publication: 11638 - 11643
• a: 8.3592 ± 0.0002 Å
• b: 27.2586 ± 0.0008 Å
• c: 9.7291 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2216.87 ± 0.11 ų
• Cell temperature: 99.98 ± 0.1 K
• Ambient diffraction temperature: 99.98 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0293
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.0594
• Weighted residual factors for all reflections included in the refinement: 0.0606
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No