Information card for entry 7012209

Structure parameters

• Formula: C30 H37 Cl2 Cu2 N9 O8
• Calculated formula: C30 H37 Cl2 Cu2 N9 O8
• SMILES: [Cu]123[N](CCN[Cu]45[N](CCN1)(Cc1[n]4cccc1)Cc1[n]5cccc1)(Cc1[n]2cccc1)Cc1[n]3cccc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].CC#N
• 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: 12.6284 ± 0.0002 Å
• b: 16.888 ± 0.0002 Å
• c: 34.5479 ± 0.0005 Å
• α: 90°
• β: 92.855 ± 0.0006°
• γ: 90°
• Cell volume: 7358.83 ± 0.18 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0669
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.135
• Weighted residual factors for all reflections included in the refinement: 0.1523
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Ka
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No