Information card for entry 7701148

Structure parameters

• Formula: C7 H20 Br3 N O2 Pb S2
• Calculated formula: C7 H20 Br3 N O2 Pb S2
• Title of publication: Broadband white-light emission from supramolecular piperazinium-based lead halide perovskites linked by hydrogen bonds.
• Authors of publication: Jung, Mi-Hee; Ko, Kyoung Chul; Lee, Woo Ram
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 40
• Pages of publication: 15074 - 15090
• a: 13.5079 ± 0.0004 Å
• b: 14.8779 ± 0.0004 Å
• c: 9.2938 ± 0.0003 Å
• α: 90°
• β: 108.392 ± 0.002°
• γ: 90°
• Cell volume: 1772.36 ± 0.09 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• 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: 0.0437
• Weighted residual factors for significantly intense reflections: 0.1255
• Weighted residual factors for all reflections included in the refinement: 0.1552
• Goodness-of-fit parameter for all reflections included in the refinement: 0.633
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No