Information card for entry 4506649

Structure parameters

• Formula: C30 H34 N4 O4 S2
• Calculated formula: C30 H34 N4 O4 S2
• Title of publication: Isostructural Mercury Coordination Polymers with Amide Junction: Interplay of Coordination and π‒π Stacking
• Authors of publication: Khavasi, Hamid Reza; Mir Mohammad Sadegh, Bahareh
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 10
• Pages of publication: 4798
• a: 10.1703 ± 0.001 Å
• b: 14.5624 ± 0.0019 Å
• c: 10.7222 ± 0.001 Å
• α: 90°
• β: 105.41 ± 0.007°
• γ: 90°
• Cell volume: 1530.9 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.0901
• Residual factor for significantly intense reflections: 0.0624
• Weighted residual factors for significantly intense reflections: 0.1298
• Weighted residual factors for all reflections included in the refinement: 0.14
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No