Information card for entry 2020852

Structure parameters

• Common name: 1
• Chemical name: <i>catena</i>-Poly[[bromidomercury(II)]-μ-bromido-[aquabis[4-hydroxy-3-(pyridin-4-yl)pent-3-en-2-one]cadmium(II)]-di-μ-bromido]
• Formula: C20 H24 Br4 Cd Hg N2 O5
• Calculated formula: C20 H24 Br4 Cd Hg N2 O5
• SMILES: [Cd]1([Br][Hg]([Br]1)(Br)Br)([OH2])([n]1ccc(C(=C(O)C)C(=O)C)cc1)([n]1ccc(C(C(=O)C)=C(O)C)cc1)[Br][Hg]1(Br)[Br][Cd]([OH2])([Br]1)([n]1ccc(C(=C(O)C)C(=O)C)cc1)[n]1ccc(C(C(=O)C)=C(O)C)cc1
• Title of publication: 3-(Pyridin-4-yl)acetylacetone: Cd^II^ and Hg^II^ compete for nitrogen coordination
• Authors of publication: Truong, Khai-Nghi; Merkens, Carina; Englert, Ulli
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 9
• a: 7.3985 ± 0.0004 Å
• b: 16.498 ± 0.0009 Å
• c: 22.9089 ± 0.0013 Å
• α: 90°
• β: 98.3739 ± 0.001°
• γ: 90°
• Cell volume: 2766.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0457
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0789
• Weighted residual factors for all reflections included in the refinement: 0.0825
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes