Information card for entry 4326511

Structure parameters

• Formula: C80.02 H51 Cl10.03 Cu2 N5 O20.73
• Calculated formula: C80.016 H51 Cl10.032 Cu2 N5 O20.73
• 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: 15.631 ± 0.001 Å
• b: 16.2439 ± 0.0011 Å
• c: 32.635 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8286.3 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.1205
• Residual factor for significantly intense reflections: 0.0719
• Weighted residual factors for significantly intense reflections: 0.1714
• Weighted residual factors for all reflections included in the refinement: 0.1912
• Goodness-of-fit parameter for all reflections included in the refinement: 0.954
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No