Information card for entry 7012212

Structure parameters

• Formula: C42 H57 Cl6 Cu2 N8 O24.5
• Calculated formula: C42 H46 Cl6 Cu2 N8 O24.5
• 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: 24.686 ± 0.002 Å
• b: 10.4701 ± 0.0008 Å
• c: 24.507 ± 0.002 Å
• α: 90°
• β: 114.146 ± 0.002°
• γ: 90°
• Cell volume: 5780 ± 0.8 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0526
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.1304
• Weighted residual factors for all reflections included in the refinement: 0.1328
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No