Information card for entry 2105948

Structure parameters

• Common name: 3b
• Formula: C20 H22 Cd I2 N2 O4
• Calculated formula: C20 H22 Cd I2 N2 O4
• SMILES: [Cd](I)(I)([n]1ccc(C(=C(\O)C)\C(=O)C)cc1)[n]1ccc(/C(=C(O)\C)C(=O)C)cc1
• 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: 13.5307 ± 0.0003 Å
• b: 7.0913 ± 0.0007 Å
• c: 49.11 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4712.1 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0491
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0708
• Weighted residual factors for all reflections included in the refinement: 0.0756
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes