Information card for entry 7011194

Structure parameters

• Common name: [Cu(hbdpo)(ClO4)2]
• Chemical name: N,N'-bis(2-pyridylmethyl)-1,3-diaminopropan-2-ol copper(II) diperchlorate
• Formula: C15 H20 Cl2 Cu N4 O9
• Calculated formula: C15 H20 Cl2 Cu N4 O9
• SMILES: [Cu]123([n]4ccccc4C[NH]1CC(O)C[NH]2Cc1[n]3cccc1)(OCl(=O)(=O)=O)OCl(=O)(=O)=O
• Title of publication: Crystal structure, solution properties and hydrolytic activity of an alkoxo-bridged dinuclear copper(ii) complex, as a ribonuclease model
• Authors of publication: Gajda, Tamás; Jancsó, Attila; Mikkola, Satu; Lönnberg, Harri; Sirges, Holger
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 8
• Pages of publication: 1757
• a: 11.714 ± 0.002 Å
• b: 12.817 ± 0.003 Å
• c: 27.364 ± 0.006 Å
• α: 90°
• β: 90.77 ± 0.03°
• γ: 90°
• Cell volume: 4108 ± 1.5 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1496
• Residual factor for significantly intense reflections: 0.0666
• Weighted residual factors for significantly intense reflections: 0.1534
• Weighted residual factors for all reflections included in the refinement: 0.1819
• Goodness-of-fit parameter for all reflections included in the refinement: 0.872
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No