Information card for entry 1557480

Structure parameters

• Common name: trans-Di(benzoato-O)bis(1,3-diamino-2-hydroxypropane-N,N')copper(II)
• Formula: C20 H30 Cu N4 O6
• Calculated formula: C20 Cu N4 O6
• SMILES: C1C(C[NH2][Cu]2([NH2]1)(OC(c1ccccc1)=O)([NH2]CC(C[NH2]2)O)OC(=O)c1ccccc1)O
• Title of publication: Crystal and Molecular Structure of trans-Di(benzoato-O)bis(1,3-diamino-2-hydroxypropane-N,N')copper(II) at 193 and 296 K
• Authors of publication: Sundberg, Markku R.; Klinga, Martti; Uggla, Rolf; Bockelmann, Wolfgang; Valo, Jaana
• Journal of publication: Acta Chemica Scandinavica
• Year of publication: 1996
• Journal volume: 50
• Pages of publication: 405 - 410
• a: 6.519 ± 0.002 Å
• b: 7.205 ± 0.002 Å
• c: 24.445 ± 0.005 Å
• α: 90°
• β: 95.12 ± 0.02°
• γ: 90°
• Cell volume: 1143.6 ± 0.5 ų
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No