Information card for entry 7045939

Structure parameters

• Formula: C53 H137 In16 Mn4 N15 O6 S35
• Calculated formula: C48.9983 H84.9966 In16 Mn4 N12.9996 S35
• Title of publication: Ionothermal synthesis of discrete supertetrahedral Tn (n = 4, 5) clusters with tunable components, band gaps, and fluorescence properties.
• Authors of publication: Yang, Dan-Dan; Li, Wei; Xiong, Wei-Wei; Li, Jian-Rong; Huang, Xiao-Ying
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 17
• Pages of publication: 5977 - 5984
• a: 20.851 ± 0.006 Å
• b: 20.851 ± 0.006 Å
• c: 36.27 ± 0.015 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 13656 ± 8 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• Space group number: 176
• Hermann-Mauguin space group symbol: P 63/m
• Hall space group symbol: -P 6c
• Residual factor for all reflections: 0.1113
• Residual factor for significantly intense reflections: 0.1015
• Weighted residual factors for significantly intense reflections: 0.1684
• Weighted residual factors for all reflections included in the refinement: 0.1737
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No