Information card for entry 7701504

Structure parameters

• Formula: C816.48 H1866.24 In112 N116.64 Se226.32
• Calculated formula: In112 Se226.256
• Title of publication: Highly open chalcogenide frameworks built from unusual defective supertetrahedral clusters.
• Authors of publication: Xue, Chaozhuang; Zhang, Li; Wang, Xiaoli; Wang, Xiang; Zhang, Jiaxu; Wu, Tao
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 29
• Pages of publication: 10799 - 10803
• a: 31.01 ± 0.0017 Å
• b: 31.01 ± 0.0017 Å
• c: 36.8077 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 35395 ± 3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 130
• Hermann-Mauguin space group symbol: P 4/n c c :2
• Hall space group symbol: -P 4a 2ac
• Residual factor for all reflections: 0.1083
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for significantly intense reflections: 0.1835
• Weighted residual factors for all reflections included in the refinement: 0.2165
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No