Information card for entry 4326513

Structure parameters

• Formula: C96 H80 Cu2 N4 O20
• Calculated formula: C96 H80 Cu2 N4 O20
• 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: 15.0013 ± 0.0008 Å
• b: 23.3563 ± 0.0012 Å
• c: 23.8248 ± 0.0012 Å
• α: 90°
• β: 90.658 ± 0.001°
• γ: 90°
• Cell volume: 8347.1 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0873
• Residual factor for significantly intense reflections: 0.0678
• Weighted residual factors for significantly intense reflections: 0.1838
• Weighted residual factors for all reflections included in the refinement: 0.2014
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No