Information card for entry 2219411

Structure parameters

• Chemical name: Bis(μ-biphenyl-2,2'-dicarboxylato)bis[(2,2'-bipyridine)copper(II)]
• Formula: C48 H32 Cu2 N4 O8
• Calculated formula: C48 H32 Cu2 N4 O8
• SMILES: c1[n]2c(ccc1)c1cccc[n]1[Cu]132OC(=[O]1)c1c(cccc1)c1c(cccc1)C(=O)O[Cu]12([n]5ccccc5c5cccc[n]15)OC(=[O]2)c1c(cccc1)c1c(cccc1)C(=O)O3
• Title of publication: Bis(μ-biphenyl-2,2'-dicarboxylato)bis[(2,2'-bipyridine)copper(II)]
• Authors of publication: Guo, Hong-Xu; Liang, Min; Lin, Bin; Wang, Qing-Hua; Li, Xi-Zhong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 9
• Pages of publication: m1171 - m1172
• a: 11.234 ± 0.002 Å
• b: 13.336 ± 0.003 Å
• c: 15.431 ± 0.006 Å
• α: 90°
• β: 122.16 ± 0.02°
• γ: 90°
• Cell volume: 1957.1 ± 1 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: 0.0484
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.1094
• Weighted residual factors for all reflections included in the refinement: 0.1178
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes