Information card for entry 2311798

Structure parameters

• Formula: C84 H80 Al2 Br8 Cl4 Hg4 N6 O17
• Calculated formula: C84 H80 Al2 Br8 Cl4 Hg4 N6 O17
• 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: 16.7982 ± 0.0018 Å
• b: 24.3995 ± 0.0019 Å
• c: 13.9346 ± 0.0015 Å
• α: 90°
• β: 107.435 ± 0.004°
• γ: 90°
• Cell volume: 5448.9 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.1302
• Residual factor for significantly intense reflections: 0.072
• Weighted residual factors for significantly intense reflections: 0.1863
• Weighted residual factors for all reflections included in the refinement: 0.2034
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No