Information card for entry 2311799

Structure parameters

• Formula: C69 H86 Al2 Cl2 Hg3 I6 N6 O23.18
• Calculated formula: C69 H86 Al2 Cl2 Hg3 I6 N6 O23.178
• 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: 32.1651 ± 0.0019 Å
• b: 13.8294 ± 0.0012 Å
• c: 27.6145 ± 0.0016 Å
• α: 90°
• β: 124.917 ± 0.003°
• γ: 90°
• Cell volume: 10072.3 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.082
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.1574
• Weighted residual factors for all reflections included in the refinement: 0.1724
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No