Information card for entry 2105946

Structure parameters

• Common name: 2
• Formula: C30 H33 Br4 Cd2 N3 O6
• Calculated formula: C30 H33 Br4 Cd2 N3 O6
• 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: 7.1262 ± 0.0009 Å
• b: 15.519 ± 0.002 Å
• c: 16.597 ± 0.002 Å
• α: 91.247 ± 0.003°
• β: 97.889 ± 0.003°
• γ: 98.609 ± 0.003°
• Cell volume: 1796 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0782
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.0942
• Weighted residual factors for all reflections included in the refinement: 0.1034
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes