Information card for entry 4506648

Structure parameters

• Formula: C16 H18 Br2 Hg N3 O2
• Calculated formula: C16 H18 Br2 Hg N3 O2
• 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: 9.9706 ± 0.0011 Å
• b: 10.2954 ± 0.0012 Å
• c: 11.2168 ± 0.0013 Å
• α: 71.308 ± 0.009°
• β: 87.893 ± 0.009°
• γ: 63.152 ± 0.008°
• Cell volume: 965.1 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0439
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0958
• Weighted residual factors for all reflections included in the refinement: 0.0987
• Goodness-of-fit parameter for all reflections included in the refinement: 1.196
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No