Information card for entry 7106045

Structure parameters

• Formula: C153 H133 Cu4 N17 O52
• Calculated formula: C153 H129 Cu4 N17 O52
• 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: 15.1091 ± 0.0008 Å
• b: 21.4458 ± 0.0012 Å
• c: 52.381 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 16972.8 ± 1.6 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: 0.1534
• Residual factor for significantly intense reflections: 0.0866
• Weighted residual factors for significantly intense reflections: 0.194
• Weighted residual factors for all reflections included in the refinement: 0.222
• Goodness-of-fit parameter for all reflections included in the refinement: 0.846
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No