Information card for entry 7001448

Structure parameters

• Formula: C54 H52 Cl4 Cu2 N6 O19
• Calculated formula: C54 H52 Cl4 Cu2 N6 O19
• SMILES: c12cccc[n]2[Cu]2([N](C1)(Cc1cccc[n]21)Cc1c2ccccc2cc2ccccc12)(OCl(=O)(=O)=O)(OCl(=O)(=O)=O)[OH2].O
• 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: 14.1257 ± 0.0003 Å
• b: 10.5924 ± 0.0002 Å
• c: 36.7101 ± 0.0006 Å
• α: 90°
• β: 99.343 ± 0.001°
• γ: 90°
• Cell volume: 5419.89 ± 0.18 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1027
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.0896
• Weighted residual factors for all reflections included in the refinement: 0.0964
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No