Information card for entry 7247807

Structure parameters

• Formula: C4 H16 Bi Br1.18 Cl3.82 N2
• Calculated formula: C4 H15 Bi Br1.187 Cl3.813 N2
• Title of publication: (C2H5NH3)2BiCl5−xBrx perovskites containing 1D chains: effect of Br substitution on their structural and optical properties
• Authors of publication: Pradhan, Abinash; Sahoo, Sanand; Samal, Saroj L.
• Journal of publication: CrystEngComm
• Year of publication: 2024
• Journal volume: 26
• Journal issue: 3
• Pages of publication: 312 - 323
• a: 7.6366 ± 0.0002 Å
• b: 22.1176 ± 0.0008 Å
• c: 17.8909 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3021.83 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 64
• Hermann-Mauguin space group symbol: C m c e
• Hall space group symbol: -C 2ac 2
• Residual factor for all reflections: 0.0627
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0668
• Weighted residual factors for all reflections included in the refinement: 0.0719
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No