Information card for entry 8104795

Structure parameters

• Formula: C22 H22 Cl2 Hg N10
• Calculated formula: C22 H22 Cl2 Hg N10
• SMILES: [Hg](Cl)(Cl)([n]1ccn(c1C)Cn1nnc2c1cccc2)[n]1ccn(c1C)Cn1nnc2c1cccc2
• Title of publication: Crystal structure of bis{1-[(benzotriazol-1-yl)methyl]-1H-1,3-(2-methyl-imidazol)}di-chloridomercury(II), [Hg(C11H11N5)2Cl2], C22H22N10Cl2Hg
• Authors of publication: Yang, Hai-Yan; Zhao, Yao-Min; Li, Hui; Wang, Hong-Fang; Li, Ying-Hua; He, Fang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2021
• Journal volume: 236
• Journal issue: 3
• Pages of publication: 663 - 665
• a: 8.2034 ± 0.0004 Å
• b: 12.7859 ± 0.0007 Å
• c: 13.5026 ± 0.0007 Å
• α: 66.069 ± 0.005°
• β: 79.964 ± 0.004°
• γ: 84.465 ± 0.004°
• Cell volume: 1274.18 ± 0.13 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291.15 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: 0.05
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0621
• Weighted residual factors for all reflections included in the refinement: 0.067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No