Information card for entry 2214701

Structure parameters

• Chemical name: Diaquabis[5-(pyrazin-2-yl)-5H-tetrazolato-κ<i>N</i>^1^]nickel(II)
• Formula: C10 H10 N12 Ni O2
• Calculated formula: C10 H10 N12 Ni O2
• SMILES: c1cncc2c3nnnn3[Ni]3([n]12)([n]1ccncc1c1nnnn31)([OH2])[OH2]
• Title of publication: Diaquabis[5-(pyrazin-2-yl)-5<i>H</i>-tetrazolato-κ<i>N</i>^1^]nickel(II)
• Authors of publication: Fan, Sheng-Di; Liu, Ju-Tao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: m2034 - m2034
• a: 6.1539 ± 0.0011 Å
• b: 11.3456 ± 0.0019 Å
• c: 10.6126 ± 0.0018 Å
• α: 90°
• β: 105.845 ± 0.002°
• γ: 90°
• Cell volume: 712.8 ± 0.2 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0313
• Residual factor for significantly intense reflections: 0.0241
• Weighted residual factors for significantly intense reflections: 0.0613
• Weighted residual factors for all reflections included in the refinement: 0.0645
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes