Information card for entry 7201730

Structure parameters

• Formula: C5 H3 Br Hg N6
• Calculated formula: C5 H3 Br Hg N6
• Title of publication: Coordination architectures of 2-(1H-tetrazol-5-yl)pyrazine with group IIB metal ions: luminescence and structural dependence on the metal ions and preparing conditions
• Authors of publication: Tao, Ying; Li, Jian-Rong; Yu, Qun; Song, Wei-Chao; Tong, Xiao-Lan; Bu, Xian-He
• Journal of publication: CrystEngComm
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 6
• Pages of publication: 699
• a: 6.7077 ± 0.0013 Å
• b: 11.695 ± 0.002 Å
• c: 23.855 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1871.3 ± 0.7 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0833
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.1342
• Weighted residual factors for all reflections included in the refinement: 0.1514
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No