Information card for entry 7106046

Structure parameters

• Formula: C138 H103 Cu4 N17 O43
• Calculated formula: C138 H102 Cu4 N17 O43
• Title of publication: Copper(II) carboxylate tetramers formed from an enantiopure ligand containing a p-stacking supramolecular synthon: single-crystal to single-crystal enantioselective ligand exchange
• Authors of publication: Daniel L. Reger; Jacob Horger; Mark D. Smith
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 2805
• a: 15.1728 ± 0.0015 Å
• b: 21.67 ± 0.002 Å
• c: 52.697 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 17326 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1232
• Residual factor for significantly intense reflections: 0.0782
• Weighted residual factors for significantly intense reflections: 0.166
• Weighted residual factors for all reflections included in the refinement: 0.1814
• Goodness-of-fit parameter for all reflections included in the refinement: 0.879
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No