Information card for entry 4123345

Structure parameters

• Formula: C6 H18 Cl4 Cu N2 O2
• Calculated formula: C6 H18 Cl4 Cu N2 O2
• SMILES: C(OCC[NH3+])COCC[NH3+].Cl[Cu](Cl)([Cl-])[Cl-]
• Title of publication: Pressure-Induced Conductivity and Yellow-to-Black Piezochromism in a Layered Cu-Cl Hybrid Perovskite.
• Authors of publication: Jaffe, Adam; Lin, Yu; Mao, Wendy L.; Karunadasa, Hemamala I.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 4
• Pages of publication: 1673 - 1678
• a: 23.65 ± 0.007 Å
• b: 7.604 ± 0.002 Å
• c: 7.623 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1370.9 ± 0.7 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 6
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0405
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0723
• Weighted residual factors for all reflections included in the refinement: 0.0793
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.7749 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No