Information card for entry 7001445

Structure parameters

• Formula: C32 H32 Cl4 Cu2 N6
• Calculated formula: C32 H32 Cl4 Cu2 N6
• SMILES: c1cccc2[n]1[Cu]1(Cl)([N](Cc3ccc(C[N]45Cc6cccc[n]6[Cu]5(Cl)(Cl)[n]5ccccc5C4)cc3)(Cc3cccc[n]13)C2)Cl
• Title of publication: Interaction of an extended series of N-substituted di(2-picolyl)amine derivatives with copper(II). Synthetic, structural, magnetic and solution studies
• Authors of publication: Antonioli, Bianca; Büchner, Bernd; Clegg, Jack K.; Gloe, Kerstin; Gloe, Karsten; Götzke, Linda; Heine, Axel; Jäger, Anne; Jolliffe, Katrina A.; Kataeva, Olga; Kataev, Vladislav; Klingeler, Rüdiger; Krause, Tilo; Lindoy, Leonard F.; Popa, Andreia; Seichter, Wilhelm; Wenzel, Marco
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 24
• Pages of publication: 4795 - 4805
• a: 8.702 ± 0.001 Å
• b: 12.422 ± 0.001 Å
• c: 14.911 ± 0.002 Å
• α: 90°
• β: 90.17 ± 0.01°
• γ: 90°
• Cell volume: 1611.8 ± 0.3 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 2 K
• Number of distinct elements: 5
• 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: 0.0575
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0818
• Weighted residual factors for all reflections included in the refinement: 0.0891
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No