Information card for entry 4328017

Structure parameters

• Formula: C78 H56 Cl4 Cu2 N8 O16
• Calculated formula: C78 H56 Cl4 Cu2 N8 O16
• Title of publication: Copper(II) Carboxylate Dimers Prepared from Ligands Designed to Form a Robust π...π Stacking Synthon: Supramolecular Structures and Molecular Properties
• Authors of publication: Daniel L. Reger; Agota Debreczeni; Mark D. Smith; Julia Jezierska; Andrew Ozarowski
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 1068 - 1083
• a: 10.5476 ± 0.0005 Å
• b: 11.9372 ± 0.0005 Å
• c: 14.8309 ± 0.0007 Å
• α: 77.983 ± 0.001°
• β: 74.524 ± 0.001°
• γ: 82.625 ± 0.001°
• Cell volume: 1754.94 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0589
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.1371
• Weighted residual factors for all reflections included in the refinement: 0.144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No