Information card for entry 4309158

Structure parameters

• Chemical name: (F6-acac)2[3-(2-amino-4-methoxypyrimidin-6-yl)pyridine]2Cu(II) (CHCl3)2
• Formula: C32 H24 Cl6 Cu F12 N8 O6
• Calculated formula: C32 H24 Cl6 Cu F12 N8 O6
• 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: 10.4149 ± 0.0006 Å
• b: 12.1682 ± 0.0007 Å
• c: 18.2488 ± 0.001 Å
• α: 105.698 ± 0.001°
• β: 105.897 ± 0.001°
• γ: 93.116 ± 0.001°
• Cell volume: 2120.6 ± 0.2 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: 0.0572
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1182
• Weighted residual factors for all reflections included in the refinement: 0.1263
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No