Information card for entry 7719612

Structure parameters

• Formula: C21 H48 Bi I6 N3
• Calculated formula: C21 H48 Bi I6 N3
• Title of publication: Understanding the effect of hydrogen bonding on the structural transition and emission properties in zero-dimensional hybrid metal halides: (3,5-DMP)3BiX6 (X = Cl, Br, I).
• Authors of publication: Sahoo, Subhasish; Rana, Rajanikanta; Srinivas, Chakali; Iyer, Parameswar Krishnan; Dash, Laxmipriya; Biswal, Himansu S.; Samal, Saroj L.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 42
• Pages of publication: 15726 - 15744
• a: 22.1606 ± 0.0007 Å
• b: 20.0231 ± 0.0007 Å
• c: 8.5783 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3806.4 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0911
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0473
• Weighted residual factors for all reflections included in the refinement: 0.0538
• Goodness-of-fit parameter for all reflections included in the refinement: 0.93
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No