Information card for entry 2311793

Structure parameters

• Common name: 1a
• Formula: C10 H11 Cl2 Hg N O2
• Calculated formula: C10 H11 Cl2 Hg N O2
• Title of publication: 3-(Pyridin-4-yl)acetylacetone: a donor ligand towards mercury(II) halides and a versatile linker for complex materials.
• Authors of publication: Truong, Khai Nghi; Merkens, Carina; Englert, Ulli
• Journal of publication: Acta crystallographica Section B, Structural science, crystal engineering and materials
• Year of publication: 2017
• Journal volume: 73
• Journal issue: Pt 5
• Pages of publication: 981 - 991
• a: 7.0762 ± 0.0009 Å
• b: 25.964 ± 0.0017 Å
• c: 7.445 ± 0.0007 Å
• α: 90°
• β: 118.506 ± 0.009°
• γ: 90°
• Cell volume: 1202 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0354
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0596
• Weighted residual factors for all reflections included in the refinement: 0.0619
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No