Information card for entry 4309160

Structure parameters

• Chemical name: bis(F6-acac)bis[3-(2-amino-4-methylpyrimidin-6-yl)pyridine]copper(II) 1,2-dichloroethane
• Formula: C32 H26 Cl2 Cu F12 N8 O4
• Calculated formula: C32 H26 Cl2 Cu F12 N8 O4
• Title of publication: Directed Supramolecular Assembly of Infinite 1-D M(II)-Containing Chains (M = Cu, Co, Ni) Using Structurally Bifunctional Ligands
• Authors of publication: Christer B. Aakeröy; Nate Schultheiss; John Desper
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 4983 - 4991
• a: 8.2843 ± 0.0004 Å
• b: 10.875 ± 0.0005 Å
• c: 11.7573 ± 0.0006 Å
• α: 113.081 ± 0.001°
• β: 94.412 ± 0.001°
• γ: 103.833 ± 0.001°
• Cell volume: 928.76 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0405
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.1055
• Weighted residual factors for all reflections included in the refinement: 0.1077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No