Information card for entry 2219605

Structure parameters

• Chemical name: Diaqua(2,2'-bipyridine-5,5'-dicarboxylato-k^2^<i>N</i>,<i>N</i>')(ethylenediamine-k^2^<i>N</i>,<i>N</i>')copper(II) 2.5-hydrate
• Formula: C14 H23 Cu N4 O8.5
• Calculated formula: C14 H23 Cu N4 O8.5
• SMILES: [Cu]12([n]3c(c4[n]1cc(C(=O)[O-])cc4)ccc(C(=O)[O-])c3)([OH2])([OH2])[NH2]CC[NH2]2.O.O.O
• Title of publication: Diaqua(2,2'-bipyridine-5,5'-dicarboxylato-κ^2^<i>N</i>,<i>N</i>')(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')copper(II) 2.5-hydrate
• Authors of publication: Yousefi, Mohammad; Khalighi, Aida; Tadayon Pour, Nasim; Amani, Vahid; Khavasi, Hamid Reza
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 10
• Pages of publication: m1284 - m1285
• a: 31.73 ± 0.006 Å
• b: 7.2481 ± 0.0014 Å
• c: 18.421 ± 0.004 Å
• α: 90°
• β: 120.05 ± 0.03°
• γ: 90°
• Cell volume: 3667.1 ± 1.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0546
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1148
• Weighted residual factors for all reflections included in the refinement: 0.1201
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes