Information card for entry 7713677

Structure parameters

• Formula: C36 H42 Br12 Cl6 N6 Pb3
• Calculated formula: C36 H42 Br12 Cl6 N6 Pb3
• Title of publication: Broadband emission originating from the stereochemical expression of 6s² lone pairs in two-dimensional lead bromide perovskites.
• Authors of publication: Jiang, Xiaofan; Tao, Yu; Gu, Jiazhen; Jin, Leyang; Li, Chen; Zhang, Wenkai; Fu, Yongping
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2023
• a: 16.6366 ± 0.0007 Å
• b: 8.0081 ± 0.0004 Å
• c: 23.0142 ± 0.001 Å
• α: 90°
• β: 105.41 ± 0.004°
• γ: 90°
• Cell volume: 2955.9 ± 0.2 ų
• Cell temperature: 102 ± 2 K
• Ambient diffraction temperature: 102 ± 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: 0.0738
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1366
• Weighted residual factors for all reflections included in the refinement: 0.151
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No