Information card for entry 4002676

Structure parameters

• Formula: C12 H32 Cl4 Cu N2
• Calculated formula: C12 H32 Cl4 Cu N2
• Title of publication: Reversible Medium-Dependent Solid‒Solid Phase Transformations in Two-Dimensional Hybrid Perovskites
• Authors of publication: Ferreira, Cauê F.; Pérez-Cordero, Eduardo E.; Abboud, Khalil A.; Talham, Daniel R.
• Journal of publication: Chemistry of Materials
• Year of publication: 2016
• Journal volume: 28
• Journal issue: 15
• Pages of publication: 5522
• a: 10.4935 ± 0.0004 Å
• b: 10.5081 ± 0.0004 Å
• c: 18.6574 ± 0.0007 Å
• α: 81.916 ± 0.001°
• β: 79.455 ± 0.001°
• γ: 88.315 ± 0.001°
• Cell volume: 2002.43 ± 0.13 ų
• Cell temperature: 233 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0733
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.1639
• Weighted residual factors for all reflections included in the refinement: 0.1847
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No