Information card for entry 7211704

Structure parameters

• Formula: C9 H7 Br2 Hg N3
• Calculated formula: C9 H7 Br2 Hg N3
• Title of publication: Metal‒organic coordination architectures of bis(1,2,4-triazole) ligands bearing different spacers: syntheses, structures and luminescent properties
• Authors of publication: Wang, Duo-Zhi; Hu, Tong-Liang; Zhao, Jiong-Peng; Bu, Xian-He
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 11
• Pages of publication: 3587
• a: 13.424 ± 0.002 Å
• b: 4.2191 ± 0.0007 Å
• c: 20.596 ± 0.004 Å
• α: 90°
• β: 95.748 ± 0.002°
• γ: 90°
• Cell volume: 1160.6 ± 0.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0803
• Residual factor for significantly intense reflections: 0.0654
• Weighted residual factors for significantly intense reflections: 0.1771
• Weighted residual factors for all reflections included in the refinement: 0.1918
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No