Information card for entry 2220441

Structure parameters

• Chemical name: Bis(μ-3-carboxy-2-oxidobenzoato)- κ^3^O^1^,<i>O</i>^2^:<i>O</i>^3^;κ^3^<i>O</i>^3^:O^1^,<i>O</i>^2^- bis[aqua(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')copper(II)]
• Formula: C18 H14 Cu N2 O6
• Calculated formula: C18 H14 Cu N2 O6
• SMILES: c1[n]2[Cu]3([n]4c(c2ccc1)cccc4)(OC(=O)c1cccc(c1O3)C(=O)O)[OH2]
• Title of publication: Bis(μ-3-carboxy-2-oxidobenzoato)-κ^3^O^1^,<i>O</i>^2^:<i>O</i>^3^;κ^3^<i>O</i>^3^:O^1^,<i>O</i>^2^-bis[aqua(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')copper(II)]
• Authors of publication: Gao, Jing; Zhu, Bao-Yong; Cui, De-Liang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 1
• Pages of publication: m4 - m5
• a: 8.354 ± 0.005 Å
• b: 10.635 ± 0.005 Å
• c: 11.038 ± 0.005 Å
• α: 66.812 ± 0.005°
• β: 68.07 ± 0.005°
• γ: 89.269 ± 0.005°
• Cell volume: 825.8 ± 0.7 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: 0.0485
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0792
• Weighted residual factors for all reflections included in the refinement: 0.0838
• Goodness-of-fit parameter for all reflections included in the refinement: 1.17
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes