Information card for entry 2311795

Structure parameters

• Common name: 2a
• Formula: C10 H11 Br2 Hg N O2
• Calculated formula: C10 H11 Br2 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: 6.8597 ± 0.0005 Å
• b: 13.9425 ± 0.001 Å
• c: 26.7054 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2554.1 ± 0.3 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: 0.0419
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.0471
• Weighted residual factors for all reflections included in the refinement: 0.0511
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No