Information card for entry 2105947

Structure parameters

• Common name: 3a
• Formula: C10 H11 Cd I2 N O2
• Calculated formula: C10 H11 Cd I2 N O2
• SMILES: [Cd](I)(I)([n]1ccc(C(=C(\O)C)\C(=O)C)cc1)[I][Cd](I)[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: 7.1002 ± 0.0009 Å
• b: 14.349 ± 0.0018 Å
• c: 27.54 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2805.8 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.031
• Residual factor for significantly intense reflections: 0.0244
• Weighted residual factors for significantly intense reflections: 0.0492
• Weighted residual factors for all reflections included in the refinement: 0.0513
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes