Information card for entry 8107108

Structure parameters

• Formula: C19 H13 Cu N3 O6
• Calculated formula: C19 H13 Cu N3 O6
• Title of publication: Crystal structure of aqua-(5-nitrosalicylato-κ2 O,O′)-(1,10-phenanthroline-κ2 N,N′)copper(II), C19H13CuN3O6
• Authors of publication: Tang, Zhiwei; Xie, Guixiang; Dong, Yan; Wen, Decai
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2016
• Journal volume: 231
• Journal issue: 4
• Pages of publication: 1087 - 1088
• a: 7.208 ± 0.003 Å
• b: 21.72 ± 0.008 Å
• c: 11.098 ± 0.005 Å
• α: 90°
• β: 99.085 ± 0.017°
• γ: 90°
• Cell volume: 1715.7 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0812
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.0934
• Weighted residual factors for all reflections included in the refinement: 0.1044
• Goodness-of-fit parameter for all reflections included in the refinement: 0.915
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No