Information card for entry 1559077

Structure parameters

• Common name: trans-Di(3-iodobenzoato)bis(1,3-diaminopropane)copper(II), C20H28CuI2N4O4
• Formula: C20 H28 Cu I2 N4 O4
• Calculated formula: C20 Cu I2 N4 O4
• SMILES: Ic1cc(ccc1)C(=O)O[Cu]12([NH2]CCC[NH2]1)([NH2]CCC[NH2]2)OC(c1cc(I)ccc1)=O
• Title of publication: Structure of trans-Di(3-iodobenzoato)bis(1,3-diaminopropane)copper(II), C20H28CuI2N4O4
• Authors of publication: Sundberg, Markku R.; Sillanpaa, Reijo
• Journal of publication: Acta Chemica Scandinavica
• Year of publication: 1992
• Journal volume: 46
• Pages of publication: 34 - 37
• a: 11.717 ± 0.002 Å
• b: 8.283 ± 0.002 Å
• c: 13 ± 0.001 Å
• α: 90°
• β: 103.79 ± 0.01°
• γ: 90°
• Cell volume: 1225.3 ± 0.4 ų
• Ambient diffraction temperature: 291 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No