Information card for entry 8102303

Structure parameters

• Formula: C19 H19 Cu N3 O5
• Calculated formula: C19 H19 Cu N3 O5
• SMILES: [Cu]12(OC(=O)C)(OC(=O)C)[n]3ccccc3c3[n]1c(ccc3)c1[n]2cccc1.O
• Title of publication: Crystal structure of (2,2':6',2''-terpyridine)copper(II)diacetate monohydrate, [Cu(C15H11N3)](O2CCH3)2 · H2O
• Authors of publication: Cui-Qiao Zhang; Feng Fu; Yi-Xia Ren; Xiao-Ming Gao; Ji-Wu Wang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2008
• Journal volume: 223
• Journal issue: 3
• Pages of publication: 283
• a: 15.644 ± 0.01 Å
• b: 44.19 ± 0.03 Å
• c: 11.027 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7623 ± 9 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0347
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0726
• Weighted residual factors for all reflections included in the refinement: 0.0756
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No