Information card for entry 2211125

Structure parameters

• Chemical name: Poly-catena-[(2,2'-bipyridine-N,N')(formato)(μ-formato-O,O')copper(II) formic acid solvate]
• Formula: C13 H12 Cu N2 O6
• Calculated formula: C13 H12 Cu N2 O6
• SMILES: [Cu]1([n]2ccccc2c2[n]1cccc2)(OC=O)(OC=O)[O]=CO[Cu]1([n]2c(c3[n]1cccc3)cccc2)OC=O.O=CO.O=CO
• Title of publication: <i>catena</i>-Poly[[[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(formato-κ<i>O</i>)copper(II)]-μ-formato-κ^2^<i>O</i>:<i>O</i>'] formic acid solvate]
• Authors of publication: Lin, Jian-Li; Hu, Lin-Jing; Wu, Ling; Wang, Yuan-Yuan; Zheng, Yue-Qing
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: m2866 - m2868
• a: 9.6639 ± 0.0019 Å
• b: 15.692 ± 0.003 Å
• c: 10.083 ± 0.002 Å
• α: 90°
• β: 111.69 ± 0.03°
• γ: 90°
• Cell volume: 1420.8 ± 0.6 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0388
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0674
• Weighted residual factors for all reflections included in the refinement: 0.0711
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes