Information card for entry 7703728

Structure parameters

• Chemical name: Compound 1
• Formula: C62 H114 Cl4 In10 N16 Se16
• Calculated formula: Cl4 In10 Se16
• Title of publication: [Bmmim]₆[In₁₀Se₁₆Cl₄]·(MIm)₂: an organic-ligand free discrete T3 cluster for efficient hydrogen evolution under visible light irradiation.
• Authors of publication: Wang, Yanqi; Hu, Qianqian; Jin, Jiance; Li, Jilong; Li, Jianrong; Huang, Xiaoying
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 16
• Pages of publication: 5020 - 5023
• a: 19.7255 ± 0.0004 Å
• b: 19.7255 ± 0.0004 Å
• c: 31.1693 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 10503 ± 0.4 ų
• Cell temperature: 101.5 ± 0.6 K
• Ambient diffraction temperature: 101.5 ± 0.6 K
• Number of distinct elements: 6
• Space group number: 194
• Hermann-Mauguin space group symbol: P 63/m m c
• Hall space group symbol: -P 6c 2c
• Residual factor for all reflections: 0.0759
• Residual factor for significantly intense reflections: 0.0731
• Weighted residual factors for significantly intense reflections: 0.151
• Weighted residual factors for all reflections included in the refinement: 0.1522
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 1.3405 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No