Information card for entry 7701150

Structure parameters

• Formula: C8 H22 Br3 N2 O Pb S
• Calculated formula: C8 H22 Br3 N2 O Pb S
• 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: 18.9362 ± 0.0004 Å
• b: 8.7005 ± 0.0002 Å
• c: 19.8672 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3273.21 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0631
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.1797
• Weighted residual factors for all reflections included in the refinement: 0.1826
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No