Information card for entry 7108101

Structure parameters

• Formula: C24 H16 Cu2 N4 O8
• Calculated formula: C24 H16 Cu2 N4 O8
• Title of publication: Solid-state single-crystal-to-single-crystal transformation from a 2D layer to a 3D framework mediated by lattice iodine release
• Authors of publication: Yuan-Chun He; Jin Yang; Guo-Cheng Yang; Wei-Qiu Kan; Jian-Fang Ma
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 7859
• a: 4.9737 ± 0.0017 Å
• b: 25.022 ± 0.003 Å
• c: 11.0111 ± 0.0016 Å
• α: 90°
• β: 98.48 ± 0.02°
• γ: 90°
• Cell volume: 1355.4 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0947
• Residual factor for significantly intense reflections: 0.0746
• Weighted residual factors for significantly intense reflections: 0.1781
• Weighted residual factors for all reflections included in the refinement: 0.1927
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No