Information card for entry 8105896

Structure parameters

• Chemical name: 2,3-dinitro-1H-pyrazole-Magnesium
• Formula: C6 H14 Mg N8 O14
• Calculated formula: C6 H14 Mg N8 O14
• Title of publication: The crystal structure of hexaquamagnesium(II) bis(3,4-dinitropyrazol-1-ide), C6H14MgN8O14
• Authors of publication: TianLi, Liu; Jianlong, Wang; Lizhen, Chen; DuanLin, Cao; ZhiYan, Lu; NaNa, Wu
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2019
• Journal volume: 234
• Journal issue: 5
• Pages of publication: 933 - 934
• a: 6.1154 ± 0.0003 Å
• b: 7.9529 ± 0.0004 Å
• c: 9.0459 ± 0.0005 Å
• α: 77.744 ± 0.002°
• β: 82.589 ± 0.002°
• γ: 81.134 ± 0.003°
• Cell volume: 422.67 ± 0.04 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0583
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1021
• Weighted residual factors for all reflections included in the refinement: 0.1112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No