Information card for entry 2235507

Structure parameters

• Chemical name: Bis(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')bis(methanol-κ<i>O</i>)copper(II) benzene-1,4-dicarboxylate methanol disolvate
• Formula: C16 H36 Cu N4 O8
• Calculated formula: C16 H36 Cu N4 O8
• SMILES: C1[NH2][Cu]2([NH2]CC[NH2]2)([NH2]C1)([OH]C)[OH]C.C(=O)(c1ccc(C(=O)[O-])cc1)[O-].CO.CO
• Title of publication: Bis(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')bis(methanol-κ<i>O</i>)copper(II) benzene-1,4-dicarboxylate methanol disolvate
• Authors of publication: Abbaszadeh, Abolfazl; Safari, Nasser; Amani, Vahid; Notash, Behrouz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: m1012
• a: 7.3075 ± 0.0015 Å
• b: 12.416 ± 0.003 Å
• c: 12.551 ± 0.003 Å
• α: 90°
• β: 92.43 ± 0.03°
• γ: 90°
• Cell volume: 1137.7 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0642
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.0786
• Weighted residual factors for all reflections included in the refinement: 0.0845
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes