Information card for entry 1564704

Structure parameters

• Chemical name: InOC-4
• Formula: C56 H68 Br6 In12 N12 O34
• Calculated formula: C56 H72 Br6 In12 N12 O34
• Title of publication: Molecular Bixbyite-Like In12-Oxo Clusters with Tunable Functionalization Sites for Lithography Patterning Applications
• Authors of publication: Yi, Xiaofeng; Wang, Di; Li, Fan; Zhang, Jian; Zhang, Lei
• Journal of publication: Chemical Science
• Year of publication: 2021
• a: 16.1018 ± 0.0004 Å
• b: 16.1018 ± 0.0004 Å
• c: 20.4257 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5295.7 ± 0.3 ų
• Cell temperature: 100.01 ± 0.12 K
• Ambient diffraction temperature: 100.01 ± 0.12 K
• Number of distinct elements: 6
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.0793
• Residual factor for significantly intense reflections: 0.0759
• Weighted residual factors for significantly intense reflections: 0.1999
• Weighted residual factors for all reflections included in the refinement: 0.2069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No