Information card for entry 7706150

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: 8.306 ± 0.0005 Å
• b: 7.4959 ± 0.0005 Å
• c: 21.5814 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1343.68 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 63
• Hermann-Mauguin space group symbol: C m c m
• Hall space group symbol: -C 2c 2
• Residual factor for all reflections: 0.0288
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.0616
• Weighted residual factors for all reflections included in the refinement: 0.0623
• Goodness-of-fit parameter for all reflections included in the refinement: 1.235
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No