Information card for entry 7033842

Structure parameters

• Formula: C28 H20 Cl4 Hg2 N8 O2
• Calculated formula: C28 H20 Cl4 Hg2 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: 14.5287 ± 0.0005 Å
• b: 14.0469 ± 0.0003 Å
• c: 15.7245 ± 0.0005 Å
• α: 90°
• β: 111.798 ± 0.003°
• γ: 90°
• Cell volume: 2979.65 ± 0.17 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0727
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1165
• Weighted residual factors for all reflections included in the refinement: 0.1225
• Goodness-of-fit parameter for all reflections included in the refinement: 1.231
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No