Information card for entry 1575648

Structure parameters

• Chemical name: BR-HTP
• Formula: C7 H15 Br4 N Pb
• Calculated formula: C7 H15 Br4 N Pb
• Title of publication: Thermally responsive multistate fluorescence coupled with uniaxial negative thermal expansion in 1D lead halide hybrids.
• Authors of publication: Yang, Gang; Ye, Wei; Shen, Yueqi; Shao, Dong-Sheng; Liu, Jian-Lan; Tian, Zheng-Fang; Ning, Weihua; Ren, Xiao-Ming
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 40
• Pages of publication: 18766 - 18774
• a: 8.2813 ± 0.0006 Å
• b: 9.5881 ± 0.0007 Å
• c: 18.1544 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1441.5 ± 0.2 ų
• Cell temperature: 321 ± 2 K
• Ambient diffraction temperature: 321.15 K
• Number of distinct elements: 5
• 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: 0.0554
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.1128
• Weighted residual factors for all reflections included in the refinement: 0.119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No