Information card for entry 8104654

Structure parameters

• Formula: C22 H14 Cu N2 O4 S2
• Calculated formula: C22 H14 Cu N2 O4 S2
• Title of publication: Crystal structure of (1,10-phenanthroline-κ2 N,N′)-bis(3-thiophenecarboxylato-κ2 O,O′)copper(II), C22H14N2O4S2Cu
• Authors of publication: Zhang, Zhongyu; Men, Xiaoxia; Han, Bing; Sun, Chunyan
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2021
• Journal volume: 236
• Journal issue: 5
• Pages of publication: 1019 - 1020
• a: 20.171 ± 0.007 Å
• b: 9.684 ± 0.003 Å
• c: 10.372 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2026 ± 1.2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0388
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0875
• Weighted residual factors for all reflections included in the refinement: 0.0908
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No