Information card for entry 2219958

Structure parameters

• Chemical name: Bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(phenylacetato-κO)copper(II) phenylacetate hexahydrate
• Formula: C40 H42 Cu N4 O10
• Calculated formula: C40 H42 Cu N4 O10
• SMILES: [Cu]12([n]3cccc4ccc5ccc[n]1c5c34)([n]1cccc3ccc4ccc[n]2c4c13)OC(=O)Cc1ccccc1.O=C([O-])Cc1ccccc1.O.O.O.O.O.O
• Title of publication: Bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(phenylacetato-κ<i>O</i>)copper(II) phenylacetate hexahydrate
• Authors of publication: Tu, Bing-Tian; Xie, Hong-Zhen; Ren, Ying-Tao; Chen, Jing-Zhong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 11
• Pages of publication: m1475
• a: 11.499 ± 0.002 Å
• b: 11.903 ± 0.002 Å
• c: 16.066 ± 0.003 Å
• α: 71 ± 0.03°
• β: 72.97 ± 0.03°
• γ: 68.93 ± 0.03°
• Cell volume: 1901.3 ± 0.8 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: 0.0463
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0803
• Weighted residual factors for all reflections included in the refinement: 0.0945
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes