Information card for entry 7245202

Structure parameters

• Formula: C6 H18 Cl4 Cu N2
• Calculated formula: C6 H18 Cl4 Cu N2
• Title of publication: Phase transition, thermal stability, and molecular dynamics of organic–inorganic hybrid perovskite [NH3(CH2)6NH3]CuCl4 crystals
• Authors of publication: Choi, Moon Young; Lee, Seon Ju; Ju, Huiyeong; Lim, Ae Ran
• Journal of publication: RSC Advances
• Year of publication: 2022
• Journal volume: 12
• Journal issue: 32
• Pages of publication: 20679 - 20685
• a: 7.2224 ± 0.0006 Å
• b: 7.6112 ± 0.0006 Å
• c: 23.3315 ± 0.0018 Å
• α: 90°
• β: 91.93 ± 0.002°
• γ: 90°
• Cell volume: 1281.83 ± 0.18 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 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: 0.0793
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1214
• Weighted residual factors for all reflections included in the refinement: 0.1407
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No