Information card for entry 4348772

Structure parameters

• Formula: C19 H24 Br4 Cd2 Cl2 N2 O2 S2
• Calculated formula: C19 H24 Br4 Cd2 Cl2 N2 O2 S2
• SMILES: [Cd]12345([Br][Cd](Br)(Br)Br)[n]6c7cccc6C[O]2CC[S]4Cc2[n]1c(ccc2)C[S]5CC[O]3C7.C(Cl)Cl
• Title of publication: Group 12 Metal Complexes of an 18-Membered N₂O₂S₂ Macrocycle Incorporating Two Pyridines: First Examples of an Infinite Mercury(I) Complex and a Dumbbell-Shaped Heteronuclear Complex with a Macrocyclic Ligand.
• Authors of publication: Seo, Sujin; Ju, Huiyeong; Kim, Seulgi; Park, In-Hyeok; Lee, Eunji; Lee, Shim Sung
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 21
• Pages of publication: 11028 - 11039
• a: 8.5122 ± 0.0005 Å
• b: 15.0729 ± 0.001 Å
• c: 22.8902 ± 0.0014 Å
• α: 90°
• β: 100.588 ± 0.004°
• γ: 90°
• Cell volume: 2886.9 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1282
• Residual factor for significantly intense reflections: 0.0828
• Weighted residual factors for significantly intense reflections: 0.2067
• Weighted residual factors for all reflections included in the refinement: 0.2409
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No