Information card for entry 1561062

Structure parameters

• Formula: C2 H4 Cl2 Hg N4
• Calculated formula: C2 H4 Cl2 Hg N4
• SMILES: [Hg](Cl)(Cl)[n]1nn[nH]c1C
• Title of publication: Synthesis, structures and properties of three mercury coordination polymers based on 5-methyltetrazolate ligand
• Authors of publication: Liu, Dong-Sheng; Sui, Yan; Ye, Guang-Ming; Wang, Hui-ying; Liu, Jian-Qi; Chen, Wen-Tong
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2018
• Journal volume: 263
• Pages of publication: 182 - 189
• a: 3.9745 ± 0.0003 Å
• b: 20.3557 ± 0.0012 Å
• c: 9.2007 ± 0.0004 Å
• α: 90°
• β: 94.492 ± 0.005°
• γ: 90°
• Cell volume: 742.08 ± 0.08 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: 0.0582
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1185
• Weighted residual factors for all reflections included in the refinement: 0.1228
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No