Information card for entry 4317710

Structure parameters

• Common name: [Cu2PEA2](ClO4)2.2.5CH3CN
• Formula: C41 H37.5 Cl2 Cu2 N10.5 O10
• Calculated formula: C41 H36 Cl2 Cu2 N10.5 O10
• Title of publication: Chiral Monomeric and Homochiral Dimeric Copper(II) Complexes of a New Chiral Ligand, N-(1,2-Bis(2-pyridyl)ethyl)pyridine-2-carboxamide: An Example of Molecular Self-Recognition
• Authors of publication: John M. Rowland; Marilyn M. Olmstead; Pradip K. Mascharak
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 1545 - 1549
• a: 12.4124 ± 0.0007 Å
• b: 13.6347 ± 0.0008 Å
• c: 25.7106 ± 0.0015 Å
• α: 90°
• β: 90.893 ± 0.001°
• γ: 90°
• Cell volume: 4350.7 ± 0.4 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.062
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1327
• Weighted residual factors for all reflections included in the refinement: 0.1395
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No