Information card for entry 2224677

Structure parameters

• Chemical name: Aqua(2-oxido-2,2-diphenylacetato-κ^2^<i>O</i>^1^,<i>O</i>^2^)(1,10- phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)
• Formula: C26 H20 Cu N2 O4
• Calculated formula: C26 H20 Cu N2 O4
• SMILES: [Cu]12(OC(=O)C(O1)(c1ccccc1)c1ccccc1)([n]1cccc3ccc4ccc[n]2c4c13)[OH2]
• Title of publication: Aqua(2-oxido-2,2-diphenylacetato-κ^2^<i>O</i>^1^,<i>O</i>^2^)(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)
• Authors of publication: Yang, Xiao-Xia; Zhang, Fu-Yong; Xu, Shi-Hai
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 1
• Pages of publication: m69
• a: 7.4473 ± 0.0015 Å
• b: 9.757 ± 0.002 Å
• c: 15.319 ± 0.003 Å
• α: 102.99 ± 0.03°
• β: 98.39 ± 0.03°
• γ: 96.7 ± 0.03°
• Cell volume: 1060.1 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0974
• Residual factor for significantly intense reflections: 0.0726
• Weighted residual factors for significantly intense reflections: 0.1939
• Weighted residual factors for all reflections included in the refinement: 0.2287
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes