Information card for entry 2014195

Structure parameters

• Chemical name: Hexa-μ~2~-chloro-μ~4~-oxo-tetrakis[(2-ethyltetrazole-kN^4^)copper(II)]
• Formula: C12 H24 Cl6 Cu4 N16 O
• Calculated formula: C12 H24 Cl6 Cu4 N16 O
• SMILES: c1nn(n[n]1[Cu]123[Cl][Cu]45([O]61[Cu]([n]1cnn(CC)n1)([Cl]3)([Cl][Cu]6([n]1cnn(CC)n1)([Cl]4)[Cl]2)[Cl]5)[n]1cnn(CC)n1)CC
• Title of publication: Hexa-μ~2~-chloro-μ~4~-oxo-tetrakis[(2-ethyltetrazole-κ<i>N</i>^4^)copper(II)]
• Authors of publication: Lyakhov, Alexander S.; Gaponik, Pavel N.; Degtyarik, Michail M.; Ivashkevich, Ludmila S.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 8
• Pages of publication: m399 - m401
• a: 16.069 ± 0.002 Å
• b: 16.069 ± 0.002 Å
• c: 11.836 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3056.2 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0403
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0879
• Weighted residual factors for all reflections included in the refinement: 0.0925
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes