Information card for entry 2232119

Structure parameters

• Chemical name: Bis(μ-2-phenylacetato-κ^2^<i>O</i>:<i>O</i>)bis[(2,2'- bipyridyl-κ^2^<i>N</i>,<i>N</i>')(2-phenylacetato-κ<i>O</i>)copper(II)] dihydrate
• Formula: C52 H48 Cu2 N4 O10
• Calculated formula: C52 H48 Cu2 N4 O10
• SMILES: [Cu]12([n]3ccccc3c3[n]1cccc3)(OC(=O)Cc1ccccc1)[O](C(=O)Cc1ccccc1)[Cu]1([n]3c(c4[n]1cccc4)cccc3)([O]2C(=O)Cc1ccccc1)OC(=O)Cc1ccccc1.O.O
• Title of publication: Bis(μ-2-phenylacetato-κ^2^<i>O</i>:<i>O</i>)bis[(2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')(2-phenylacetato-κ<i>O</i>)copper(II)] dihydrate
• Authors of publication: Xu, Wei; Jin, Ling; Liu, Bin-Bin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 10
• Pages of publication: m1334
• a: 10.213 ± 0.002 Å
• b: 16.058 ± 0.003 Å
• c: 14.633 ± 0.003 Å
• α: 90°
• β: 100.75 ± 0.03°
• γ: 90°
• Cell volume: 2357.7 ± 0.8 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.046
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.073
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes