Information card for entry 7226507

Structure parameters

• Formula: C H2 Cl Hg N5
• Calculated formula: C H2 Cl Hg N5
• Title of publication: Syntheses, structures and investigation of the properties of mercury coordination polymers based on 5-amino-tetrazolate ligands
• Authors of publication: Liu, Dong-Sheng; Chen, Wen-Tong; Huang, Jian-Gen; Cheng, Xiao-Di; Wang, Jie; Sui, Yan
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 40
• Pages of publication: 7865
• a: 8.1233 ± 0.0013 Å
• b: 6.9274 ± 0.0011 Å
• c: 8.7456 ± 0.0014 Å
• α: 90°
• β: 93.122 ± 0.002°
• γ: 90°
• Cell volume: 491.41 ± 0.14 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0259
• Residual factor for significantly intense reflections: 0.0249
• Weighted residual factors for significantly intense reflections: 0.065
• Weighted residual factors for all reflections included in the refinement: 0.0658
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No