Information card for entry 7250707

Structure parameters

• Formula: C8 H14 Cl4 N4 Zn
• Calculated formula: C8 H14 Cl4 N4 Zn
• Title of publication: Understanding the relationship between the crystal structure elastic–plastic properties of discrete-molecule organic–inorganic halide perovskites
• Authors of publication: Hempel, Jacob L.; Wells, Michael D.; Parkin, Sean; Cheng, Yang-Tse; Huckaba, Aron J.
• Journal of publication: CrystEngComm
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 34
• Pages of publication: 5743 - 5751
• a: 12.9534 ± 0.0004 Å
• b: 8.1094 ± 0.0002 Å
• c: 14.0848 ± 0.0005 Å
• α: 90°
• β: 91.692 ± 0.001°
• γ: 90°
• Cell volume: 1478.88 ± 0.08 ų
• Cell temperature: 90 ± 0.2 K
• Ambient diffraction temperature: 90 ± 0.2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0299
• Residual factor for significantly intense reflections: 0.0222
• Weighted residual factors for significantly intense reflections: 0.049
• Weighted residual factors for all reflections included in the refinement: 0.0516
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No