Information card for entry 2311794

Structure parameters

• Common name: 1b
• Formula: C20 H22 Cl2 Hg N2 O4
• Calculated formula: C20 H22 Cl2 Hg N2 O4
• SMILES: Cl[Hg](Cl)([n]1ccc(C(=C(\C)O)/C(=O)C)cc1)[n]1ccc(C(=C(\C)O)/C(=O)C)cc1
• 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: 26.0002 ± 0.0019 Å
• b: 6.4821 ± 0.001 Å
• c: 16.196 ± 0.0016 Å
• α: 90°
• β: 127.176 ± 0.001°
• γ: 90°
• Cell volume: 2174.9 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0224
• Residual factor for significantly intense reflections: 0.0215
• Weighted residual factors for significantly intense reflections: 0.0499
• Weighted residual factors for all reflections included in the refinement: 0.0502
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No