Information card for entry 4508936

Structure parameters

• Formula: C8 H6 Cl2 Hg N4
• Calculated formula: C8 H6 Cl2 Hg N4
• Title of publication: Formation of Infinite Linear Mercury Metal Chains Assisted by Face-to-Face π−π (Aryl−Aryl) Stacking Interactions
• Authors of publication: Wu, Jing-Yun; Hsu, Hung-Yu; Chan, Chun-Chieh; Wen, Yuh-Sheng; Tsai, Chiitang; Lu, Kuang-Lieh
• Journal of publication: Crystal Growth & Design
• Year of publication: 2009
• Journal volume: 9
• Journal issue: 1
• Pages of publication: 258
• a: 3.7705 ± 0.0001 Å
• b: 10.4396 ± 0.0003 Å
• c: 12.9752 ± 0.0004 Å
• α: 90.8017 ± 0.0009°
• β: 91.5785 ± 0.0009°
• γ: 93.7126 ± 0.001°
• Cell volume: 509.41 ± 0.03 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0402
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0709
• Weighted residual factors for all reflections included in the refinement: 0.093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.181
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No