Information card for entry 7033843

Structure parameters

• Formula: C28 H20 Hg3 I6 N8 O2
• Calculated formula: C28 H20 Hg3 I6 N8 O2
• Title of publication: Influence of N-heteroaromatic π-π stacking on supramolecular assembly and coordination geometry; effect of a single-atom change in the ligand.
• Authors of publication: Khavasi, Hamid Reza; Mir Mohammad Sadegh, Bahareh
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 12
• Pages of publication: 5488 - 5502
• a: 8.1811 ± 0.0004 Å
• b: 7.721 ± 0.0003 Å
• c: 29.8371 ± 0.0017 Å
• α: 90°
• β: 93.637 ± 0.004°
• γ: 90°
• Cell volume: 1880.9 ± 0.16 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• 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: 0.0745
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.1584
• Weighted residual factors for all reflections included in the refinement: 0.1672
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No