Information card for entry 2236534

Structure parameters

• Chemical name: Tetrakis(dimethylammonium) <i>trans</i>-dichloridobis[5,5'-(pyrazine-2,3-diyl)bis(1<i>H</i>-tetrazol- 1-ido-κ<i>N</i>^1^)]copper(II)
• Formula: C20 H36 Cl2 Cu N24
• Calculated formula: C20 H36 Cl2 Cu N24
• SMILES: c12c3nccnc3c3n([Cu]4(n1nnn2)n1c(c2c(c5n4nnn5)nccn2)nnn1)nnn3.C[NH2+]C.[Cl-].C[NH2+]C.C[NH2+]C.C[NH2+]C.[Cl-]
• Title of publication: Tetrakis(dimethylammonium) <i>trans</i>-dichloridobis[5,5'-(pyrazine-2,3-diyl)bis(1<i>H</i>-tetrazol-1-ido-κ<i>N</i>^1^)]copper(II)
• Authors of publication: Liao, Ju-Hsiou; Shi, Pei-Shan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 10
• Pages of publication: m1234
• a: 20.613 ± 0.002 Å
• b: 10.5671 ± 0.0009 Å
• c: 15.0687 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3282.3 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 64
• Hermann-Mauguin space group symbol: C m c a
• Hall space group symbol: -C 2ac 2
• Residual factor for all reflections: 0.0339
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0828
• Weighted residual factors for all reflections included in the refinement: 0.0851
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes