Information card for entry 4326518

Structure parameters

• Formula: C143 H113 Cu4 N17 O46
• Calculated formula: C143 H111 Cu4 N17 O46
• Title of publication: Syntheses and Characterization of Copper(II) Carboxylate Dimers Formed from Enantiopure Ligands Containing a Strong π...π Stacking Synthon: Enantioselective Single-Crystal to Single-Crystal Gas/Solid-Mediated Transformations
• Authors of publication: Daniel L. Reger; Jacob J. Horger; Agota Debreczeni; Mark D. Smith
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 10225 - 10240
• a: 15.2568 ± 0.0011 Å
• b: 21.8967 ± 0.0016 Å
• c: 52.72 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 17612 ± 2 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: 0.0884
• Residual factor for significantly intense reflections: 0.0796
• Weighted residual factors for significantly intense reflections: 0.2061
• Weighted residual factors for all reflections included in the refinement: 0.2128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No