Information card for entry 8106857

Structure parameters

• Formula: C2 H12 Mg N8 O8
• Calculated formula: C2 H12 Mg N8 O8
• Title of publication: Crystal structure of hexaaquamagnesium(II) 5,5′-bitetrazole-1,1′-diolate, C2H12N8O8Mg
• Authors of publication: Xiaojun, Wang; Jin, Shaohua; Li, Lijie; Chen, Shusen; Shu, Qinghai
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2016
• Journal volume: 231
• Journal issue: 1
• Pages of publication: 305 - 306
• a: 9.856 ± 0.008 Å
• b: 6.582 ± 0.005 Å
• c: 18.276 ± 0.013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1185.6 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0263
• Residual factor for significantly intense reflections: 0.0245
• Weighted residual factors for significantly intense reflections: 0.0682
• Weighted residual factors for all reflections included in the refinement: 0.0693
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No