Information card for entry 7705025

Structure parameters

• Chemical name: SCIF-2
• Formula: C47 H87 In10 N13 S17
• Calculated formula: C47 H87 In10 N13 S17
• Title of publication: Controllable incorporation of 1,2,4-triazolate into cluster-based metal-chalcogenide frameworks.
• Authors of publication: Liu, Xiaoshuang; Xue, Chaozhuang; Wang, Xiang; Zhang, Jiaxu; Wu, Tao
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 33
• Pages of publication: 11489 - 11492
• a: 20.887 ± 0.004 Å
• b: 22.592 ± 0.005 Å
• c: 33.244 ± 0.007 Å
• α: 90 ± 0.03°
• β: 90 ± 0.03°
• γ: 90 ± 0.03°
• Cell volume: 15687 ± 6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0323
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.0504
• Weighted residual factors for all reflections included in the refinement: 0.0517
• Goodness-of-fit parameter for all reflections included in the refinement: 1.15
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No