Information card for entry 7130552

Structure parameters

• Formula: C12 H36 Ag Bi Br11.03 Cl0.97 N4
• Calculated formula: C12 H36 Ag Bi Br11.04 Cl0.96 N4
• Title of publication: Effect of halogenated spacer cation on structural symmetry breaking in 2D halide double perovskites
• Authors of publication: Siwach, Puneet; Sikarwar, Poonam; Rajput, Shubham Ajaykumar; Antharjanam, P. K. Sudhadevi; Chandiran, Aravind Kumar
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 8.7776 ± 0.0012 Å
• b: 7.9372 ± 0.001 Å
• c: 25.632 ± 0.004 Å
• α: 90°
• β: 90.543 ± 0.005°
• γ: 90°
• Cell volume: 1785.7 ± 0.4 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 2 K
• Number of distinct elements: 7
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0885
• Residual factor for significantly intense reflections: 0.0787
• Weighted residual factors for significantly intense reflections: 0.2067
• Weighted residual factors for all reflections included in the refinement: 0.2195
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No