Information card for entry 4514944

Structure parameters

• Formula: C37 H21 Cl3 Cu N4 O10
• Calculated formula: C37 H21 Cl3 Cu N4 O10
• Title of publication: Selective Adsorption of Water, Methanol, and Ethanol by Naphthalene Diimide-Based Coordination Polymers with Constructed Open Cu²⁺ Metal Sites and Separation of Ethanol/Acetonitrile.
• Authors of publication: Li, Guo-Bi; Song, Bai-Qiao; Wang, Shi-Qiang; Pei, Ling-Min; Liu, Sheng-Gui; Song, Jiang-Li; Yang, Qing-Yuan
• Journal of publication: ACS omega
• Year of publication: 2019
• Journal volume: 4
• Journal issue: 1
• Pages of publication: 1995 - 2000
• a: 17.1736 ± 0.0006 Å
• b: 28.5197 ± 0.0011 Å
• c: 15.4911 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7587.3 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 68
• Hermann-Mauguin space group symbol: C c c a :2
• Hall space group symbol: -C 2a 2ac
• Residual factor for all reflections: 0.0936
• Residual factor for significantly intense reflections: 0.0832
• Weighted residual factors for significantly intense reflections: 0.2568
• Weighted residual factors for all reflections included in the refinement: 0.2659
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No