Information card for entry 2206630

Structure parameters

• Chemical name: μ-Oxalato-κ^4^O^1^,O^2^:O^1'^,O^2'^-bis[aqua(2,2'-bipyridyl- κ^2^N,N')copper(II)] bis(hydrogen squarate)
• Formula: C30 H22 Cu2 N4 O14
• Calculated formula: C30 H22 Cu2 N4 O14
• SMILES: c1cc2c3cccc[n]3[Cu]3([n]2cc1)([O]=C1C(O3)=[O][Cu]2(O1)([n]1ccccc1c1cccc[n]21)[OH2])[OH2].C1([O-])=C(C(=O)C1=O)O.C1(=O)C(=O)C(=C1[O-])O
• Title of publication: μ-Oxalato-κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^-bis[aqua(2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')copper(II)] bis(hydrogen squarate)
• Authors of publication: Reinoso, Santiago; Vitoria, Pablo; San Felices, Leire; Lezama, Luis; Gutiérrez-Zorrilla, Juan M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 9
• Pages of publication: m1677 - m1679
• a: 8.0147 ± 0.0012 Å
• b: 9.2276 ± 0.0012 Å
• c: 21.728 ± 0.002 Å
• α: 92.049 ± 0.01°
• β: 94.86 ± 0.011°
• γ: 109.283 ± 0.012°
• Cell volume: 1507.8 ± 0.4 ų
• Cell temperature: 295 ± 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: 0.1044
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.074
• Weighted residual factors for all reflections included in the refinement: 0.0808
• Goodness-of-fit parameter for all reflections included in the refinement: 0.764
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes