Information card for entry 1560987

Structure parameters

• Formula: C12 H24 Cl4 N10 O4 Pb
• Calculated formula: C12 H24 Cl4 N10 O4 Pb
• Title of publication: Tetrazine molecules as an efficient electronic diversion channel in 2D organic‒inorganic perovskites
• Authors of publication: Lédée, Ferdinand; Audebert, Pierre; Trippé-Allard, Gaëlle; Galmiche, Laurent; Garrot, Damien; Marrot, Jérôme; Lauret, Jean-Sébastien; Deleporte, Emmanuelle; Katan, Claudine; Even, Jacky; Quarti, Claudio
• Journal of publication: Materials Horizons
• Year of publication: 2021
• Journal volume: 8
• Journal issue: 5
• Pages of publication: 1547 - 1560
• a: 19.052 ± 0.007 Å
• b: 7.75 ± 0.003 Å
• c: 8.289 ± 0.003 Å
• α: 90°
• β: 93.016 ± 0.018°
• γ: 90°
• Cell volume: 1222.2 ± 0.8 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0681
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.14
• Weighted residual factors for all reflections included in the refinement: 0.1468
• Goodness-of-fit parameter for all reflections included in the refinement: 1.159
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No