Information card for entry 8107150

Structure parameters

• Formula: C38 H42 Cu F2 N8 O12
• Calculated formula: C38 H42 Cu F2 N8 O12
• Title of publication: Crystal structure of bis(1-ethyl-6-fluoro-4-oxido-7-(piperazin-1-ium-1-yl)-1,8-naphthyridin-1-ium-3-carboxylate-κ2 O,O′)copper(II) benzene-1, 4-dicarboxylate dihydrate, C38H42F2CuN8O12
• Authors of publication: Cui, Kuo; Wang, Liang-Liang; Zhang, Wen-Wei; Liu, Fu-Xin; Zhang, Wen-Jun; Fan, Zhuo-Wen
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2016
• Journal volume: 231
• Journal issue: 4
• Pages of publication: 1219 - 1220
• a: 5.4709 ± 0.0002 Å
• b: 10.41 ± 0.0004 Å
• c: 17.3373 ± 0.0006 Å
• α: 95.014 ± 0.002°
• β: 92.041 ± 0.002°
• γ: 103.223 ± 0.002°
• Cell volume: 955.96 ± 0.06 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0413
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0971
• Weighted residual factors for all reflections included in the refinement: 0.1125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.135
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No