Information card for entry 2214177

Structure parameters

• Chemical name: Diamminebis[5-(pyrimidin-2-yl-κ<i>N</i>^1^)tetrazolato-κ<i>N</i>^1^]copper(II) dihydrate
• Formula: C10 H16 Cu N14 O2
• Calculated formula: C10 H16 Cu N14 O2
• SMILES: [Cu]12(n3nnnc3c3[n]1cccn3)(n1nnnc1c1[n]2cccn1)([NH3])[NH3].O.O
• Title of publication: Diamminebis[5-(pyrimidin-2-yl-κ<i>N</i>^1^)tetrazolato-κ<i>N</i>^1^]copper(II) dihydrate
• Authors of publication: Liu, Ju-Tao; Fan, Sheng-Di
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: m1942 - m1942
• a: 7.1533 ± 0.0012 Å
• b: 9.5708 ± 0.0016 Å
• c: 13.155 ± 0.002 Å
• α: 97.048 ± 0.003°
• β: 90.214 ± 0.002°
• γ: 97.777 ± 0.003°
• Cell volume: 885.4 ± 0.2 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 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: 0.0429
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0908
• Weighted residual factors for all reflections included in the refinement: 0.0967
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes