Information card for entry 2226307

Structure parameters

• Chemical name: Diaquabis(1,2-ethylenediamine-κ^2^<i>N</i>,<i>N</i>')copper(II) bis(4-phenylbenzoate) 2.66-hydrate
• Formula: C30 H43.33 Cu N4 O8.66
• Calculated formula: C30 H43.32 Cu N4 O8.66
• Title of publication: Diaquabis(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')copper(II) bis(4-phenylbenzoate) 2.66-hydrate
• Authors of publication: Fernandes, José A.; Ramos, Ana I.; Silva, Patrícia; Braga, Susana S.; Ribeiro-Claro, Paulo; Rocha, João; Almeida Paz, Filipe A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 6
• Pages of publication: m626 - m627
• a: 6.1466 ± 0.0006 Å
• b: 34.984 ± 0.003 Å
• c: 7.3101 ± 0.0007 Å
• α: 90°
• β: 95.819 ± 0.004°
• γ: 90°
• Cell volume: 1563.8 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0537
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.1193
• Weighted residual factors for all reflections included in the refinement: 0.1366
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes