Information card for entry 4513966

Structure parameters

• Formula: C26 H20 Cu4 In N5 O8 S4
• Calculated formula: C24 H12 Cu4 In N4 O8 S4
• Title of publication: In-Situ Ligand Formation-Driven Preparation of a Heterometallic Metal-Organic Framework for Highly Selective Separation of Light Hydrocarbons and Efficient Mercury Adsorption.
• Authors of publication: Han, Yi; Zheng, Hao; Liu, Kang; Wang, Hongli; Huang, Hongliang; Xie, Lin-Hua; Wang, Lei; Li, Jian-Rong
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2016
• Journal volume: 8
• Journal issue: 35
• Pages of publication: 23331 - 23337
• a: 22.0484 ± 0.0002 Å
• b: 22.0484 ± 0.0002 Å
• c: 22.0484 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10718.4 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 224
• Hermann-Mauguin space group symbol: P n -3 m :2
• Hall space group symbol: -P 4bc 2bc 3
• Residual factor for all reflections: 0.0639
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.1463
• Weighted residual factors for all reflections included in the refinement: 0.1576
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No