Information card for entry 2208961

Structure parameters

• Chemical name: Ethylenediammonium tetraaquabis(pyridine-3,5-dicarboxylato-κN)copper(II) dihydrate
• Formula: C16 H28 Cu N4 O14
• Calculated formula: C16 H28 Cu N4 O14
• SMILES: c1c(cc(c[n]1[Cu]([OH2])([n]1cc(cc(c1)C(=O)[O-])C(=O)[O-])[OH2])C(=O)[O-])C(=O)[O-].C(C[NH3+])[NH3+].O.O.O.O
• Title of publication: Ethylenediammonium tetraaquabis(pyridine-3,5-dicarboxylato-κ<i>N</i>)cuprate(II) dihydrate
• Authors of publication: Dorazco-Gonzalez, Alejandro; Toscano, Ruben A.; Gómez-Vidales, Virginia; Valdés-Martínez, Jesús
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 5
• Pages of publication: m1027 - m1029
• a: 6.87 ± 0.001 Å
• b: 8.476 ± 0.001 Å
• c: 10.987 ± 0.001 Å
• α: 77.574 ± 0.002°
• β: 74.588 ± 0.002°
• γ: 67.865 ± 0.001°
• Cell volume: 566.55 ± 0.12 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0325
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.068
• Weighted residual factors for all reflections included in the refinement: 0.0695
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes