Information card for entry 2227013

Structure parameters

• Chemical name: Tetraaquabis(tetrazolido-κ<i>N</i>^1^)magnesium
• Formula: C2 H10 Mg N8 O4
• Calculated formula: C2 H10 Mg N8 O4
• SMILES: [OH2][Mg]([OH2])([OH2])([OH2])(n1nnnc1)n1nnnc1
• Title of publication: Tetraaquabis(tetrazolido-κ<i>N</i>^1^)magnesium
• Authors of publication: Liu, Ti-Lou; Deng, Ji-Hua; Sun, Shuang-Jiao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: m979
• a: 5.757 ± 0.0019 Å
• b: 11.638 ± 0.004 Å
• c: 6.963 ± 0.002 Å
• α: 90°
• β: 99.785 ± 0.005°
• γ: 90°
• Cell volume: 459.7 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0375
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0923
• Weighted residual factors for all reflections included in the refinement: 0.0972
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes