Information card for entry 2213787

Structure parameters

• Chemical name: Diaquabis[5-(pyrazin-2-yl)tetrazolate]cobalt(II)
• Formula: C10 H10 Co N12 O2
• Calculated formula: C10 H10 Co N12 O2
• SMILES: c12cncc[n]2[Co]2(n3c1nnn3)([OH2])([n]1c(cncc1)c1nnnn21)[OH2]
• Title of publication: Diaquabis[5-(pyrazin-2-yl)tetrazolato]cobalt(II)
• Authors of publication: Rong-Hua Zeng; Yong-Cai Qiu; Zhi-Hui Liu; Ying-Hua Li; Hong Deng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: m1591 - m1591
• a: 6.0676 ± 0.0001 Å
• b: 11.4221 ± 0.0002 Å
• c: 10.7096 ± 0.0002 Å
• α: 90°
• β: 105.652 ± 0.001°
• γ: 90°
• Cell volume: 714.7 ± 0.02 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0478
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0773
• Weighted residual factors for all reflections included in the refinement: 0.0826
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes