Information card for entry 1572473

Structure parameters

• Chemical name: R-1
• Formula: C18 H31 Cl6 In0.95 N3 Sb0.05
• Calculated formula: C18 H31 Cl6 In0.95 N3 Sb0.05
• Title of publication: Boosting circularly polarized luminescence by optimizing off-centering octahedral distortion in zero-dimensional hybrid indium-antimony halides.
• Authors of publication: Liu, Yulian; Wei, Yi; Luo, Zhishan; Xu, Bin; He, Meiying; Hong, Peibin; Li, Chen; Quan, Zewei
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 37
• Pages of publication: 15480 - 15488
• a: 17.626 ± 0.002 Å
• b: 7.583 ± 0.0009 Å
• c: 9.5983 ± 0.0011 Å
• α: 90°
• β: 93.496 ± 0.005°
• γ: 90°
• Cell volume: 1280.5 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0326
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0592
• Weighted residual factors for all reflections included in the refinement: 0.0611
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No