Information card for entry 7129341

Structure parameters

• Formula: C17 H31 Cl6 N6 Sb
• Calculated formula: C17 H31 Cl6 N6 Sb
• SMILES: [Sb](Cl)(Cl)(Cl)([Cl-])([Cl-])[Cl-].n1(cc[nH+]c1)C.n1(cc[nH+]c1)C.n1(cc[n+](c1)CCCCC)C
• Title of publication: A deep-red-emission antimony(iii) chloride with dual-cations: extremely large Stokes shift due to high [SbCl6] distortion
• Authors of publication: Peng, Ying-Chen; Zhang, Zhi-Zhuan; Lin, Yang-Peng; Jin, Jian-Ce; Zhuang, Ting-Hui; Gong, Liao-Kuo; Wang, Ze-Ping; Du, Ke-Zhao; Huang, Xiao-Ying
• Journal of publication: Chemical Communications
• Year of publication: 2021
• a: 9.9017 ± 0.0005 Å
• b: 16.1484 ± 0.0009 Å
• c: 17.2408 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2756.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0409
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0823
• Weighted residual factors for all reflections included in the refinement: 0.0865
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No