Information card for entry 4002678

Structure parameters

• Formula: C4 H14 Cl4 F2 N2 Pb
• Calculated formula: C4 H14 Cl4 F2 N2 Pb
• SMILES: C(CF)[NH3+].Cl[Pb](Cl)([Cl-])[Cl-].C(CF)[NH3+]
• Title of publication: Toward Fluorinated Spacers for MAPI-Derived Hybrid Perovskites: Synthesis, Characterization, and Phase Transitions of (FC2H4NH3)2PbCl4
• Authors of publication: Lermer, Claudia; Birkhold, Susanne T.; Moudrakovski, Igor L.; Mayer, Peter; Schoop, Leslie M.; Schmidt-Mende, Lukas; Lotsch, Bettina V.
• Journal of publication: Chemistry of Materials
• Year of publication: 2016
• Journal volume: 28
• Journal issue: 18
• Pages of publication: 6560
• a: 7.7059 ± 0.0003 Å
• b: 18.4574 ± 0.0007 Å
• c: 8.7525 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1244.88 ± 0.08 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0184
• Residual factor for significantly intense reflections: 0.0115
• Weighted residual factors for significantly intense reflections: 0.0232
• Weighted residual factors for all reflections included in the refinement: 0.025
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No