Information card for entry 7012210

Structure parameters

• Formula: C16 H20 Cl2 Cu N4 O5
• Calculated formula: C16 H20 Cl2 Cu N4 O5
• SMILES: [Cu]12(Cl)[N](Cc3[n]1cccc3)(Cc1[n]2cccc1)CCNC(=O)C.Cl(=O)(=O)(=O)[O-]
• Title of publication: Syntheses and characterization of copper complexes of the ligand (2-aminoethyl)bis(2-pyridylmethyl)amine (uns-penp) and derivatives
• Authors of publication: Schatz, Markus; Leibold, Michael; Foxon, Simon P.; Weitzer, Markus; Heinemann, Frank W.; Hampel, Frank; Walter, Olaf; Schindler, Siegfried
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 8
• Pages of publication: 1480
• a: 12.4114 ± 0.0011 Å
• b: 11.7813 ± 0.001 Å
• c: 13.791 ± 0.0012 Å
• α: 90°
• β: 105.572 ± 0.001°
• γ: 90°
• Cell volume: 1942.5 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• 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: 0.1078
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0714
• Weighted residual factors for all reflections included in the refinement: 0.0829
• Goodness-of-fit parameter for all reflections included in the refinement: 0.82
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No