Information card for entry 2010676

Structure parameters

• Chemical name: {2-[(3-aminopropyl)aminopropyliminomethyl]imidazolato-N, N', N'', N'''}- (methanol-O)copper(II) perchlorate.
• Formula: C11 H22 Cl Cu N5 O5
• Calculated formula: C11 H22 Cl Cu N5 O5
• SMILES: [Cu]123([OH]C)N4C=CN=C4C=[N]1CCC[NH]2CCC[NH2]3.Cl(=O)(=O)(=O)[O-]
• Title of publication: {2-[(3-Aminopropyl)aminopropyliminomethyl]imidazolato-<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>'''}(methanol-<i>O</i>)copper(II) perchlorate
• Authors of publication: Pajunen, Aarne; Cámara, Fernando; Dominques-Vera, Jose M.; Colacio, Enrique
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 2
• Pages of publication: e49 - e50
• a: 7.488 ± 0.003 Å
• b: 12.475 ± 0.005 Å
• c: 18.176 ± 0.006 Å
• α: 90°
• β: 97.15 ± 0.03°
• γ: 90°
• Cell volume: 1684.7 ± 1.1 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.047
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for all reflections included in the refinement: 0.111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes