Information card for entry 7239774

Structure parameters

• Formula: C26 H22 Cu N2 O5 S
• Calculated formula: C26 H22 Cu N2 O5 S
• Title of publication: Syntheses, structures, and magnetic properties of three supramolecular isomeric Cu(II) square grid networks: solvents effect on the ligand linkages
• Authors of publication: Liu, Gui-Lei; Song, Jianbiao; Qiu, Qi-Ming; Li, Hui
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 13.224 ± 0.003 Å
• b: 14.236 ± 0.003 Å
• c: 12.886 ± 0.003 Å
• α: 90°
• β: 103.52 ± 0.03°
• γ: 90°
• Cell volume: 2358.7 ± 1 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0804
• Residual factor for significantly intense reflections: 0.0642
• Weighted residual factors for significantly intense reflections: 0.1673
• Weighted residual factors for all reflections included in the refinement: 0.1776
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No