Information card for entry 2105950

Structure parameters

• Common name: 5
• Formula: C65.23 H92.91 Br2 Cd Fe2 N6 O23.23
• Calculated formula: C65.228 H92.912 Br2 Cd Fe2 N6 O23.228
• Title of publication: 3-(4-Pyridyl)-acetylacetone ‒ a fully featured substituted pyridine and a flexible linker for complex materials
• Authors of publication: Merkens, Carina; Truong, Khai-Nghi; Englert, Ulli
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 4
• Pages of publication: 705 - 713
• a: 12.2603 ± 0.0015 Å
• b: 13.356 ± 0.0016 Å
• c: 13.9326 ± 0.0016 Å
• α: 92.055 ± 0.002°
• β: 109.196 ± 0.002°
• γ: 105.345 ± 0.002°
• Cell volume: 2058.8 ± 0.4 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: 0.072
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.1457
• Weighted residual factors for all reflections included in the refinement: 0.1567
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes