Information card for entry 2239422

Structure parameters

• Chemical name: Bis[5-(pyridin-2-yl-κ<i>N</i>)tetrazolido-κ<i>N</i>^1^]copper(II)
• Formula: C12 H8 Cu N10
• Calculated formula: C12 H8 Cu N10
• SMILES: c1cc2c3n(nnn3)[Cu]3([n]2cc1)[n]1ccccc1c1n3nnn1
• Title of publication: Bis[5-(pyridin-2-yl-κ<i>N</i>)tetrazolido-κ<i>N</i>^1^]copper(II)
• Authors of publication: Li, Jian-Quan; Mu, Dan; Fan, Meng-Bao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 3
• Pages of publication: m79
• a: 5.5391 ± 0.0009 Å
• b: 13.128 ± 0.002 Å
• c: 8.795 ± 0.0015 Å
• α: 90°
• β: 97.65 ± 0.003°
• γ: 90°
• Cell volume: 633.86 ± 0.18 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 4
• 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: 0.0393
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0842
• Weighted residual factors for all reflections included in the refinement: 0.0872
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes