Information card for entry 7706151

Structure parameters

• Formula: C4 H8 Cl4 N6 Pb
• Calculated formula: C4 H8 Cl4 N6 Pb
• Title of publication: Structural variations in (001)-oriented layered lead halide perovskites, templated by 1,2,4-triazolium.
• Authors of publication: Guo, Yuan-Yuan; Yang, Lin-Jie; McNulty, Jason A.; Slawin, Alexandra M. Z.; Lightfoot, Philip
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 47
• Pages of publication: 17274 - 17280
• a: 8.321 ± 0.005 Å
• b: 21.465 ± 0.012 Å
• c: 22.084 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3944 ± 4 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0454
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0692
• Weighted residual factors for all reflections included in the refinement: 0.0717
• Goodness-of-fit parameter for all reflections included in the refinement: 0.868
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No