Information card for entry 8105473

Structure parameters

• Formula: C21 H22 Hg N12 O7
• Calculated formula: C21 H22 Hg N12 O7
• Title of publication: Crystal structure of catena-poly[(μ2-1-((benzotriazol-1-yl)methyl)-1H-1,3-imdazole-κ2 N:N′)-(1-((benzotriazol-1-yl)methyl)-1H-1,3-imdazole-κ1N)-(methanol-κ1 O)mercury(II)] dinitrate, C21H22N12O7Hg
• Authors of publication: Sun, Shu-Xiang; Lu, Zhi-Min; Zhang, Ke-Qing; Yao, Pei
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2020
• Journal volume: 235
• Journal issue: 6
• Pages of publication: 1385 - 1387
• a: 13.655 ± 0.003 Å
• b: 8.7038 ± 0.0017 Å
• c: 23.26 ± 0.005 Å
• α: 90°
• β: 102.51 ± 0.03°
• γ: 90°
• Cell volume: 2698.8 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.058
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.081
• Weighted residual factors for all reflections included in the refinement: 0.0875
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No