Information card for entry 2233081

Structure parameters

• Chemical name: Tetrakis(μ-4-azidobenzoato-κ^2^<i>O</i>:<i>O</i>')bis[(<i>N</i>,<i>N</i>- dimethylformamide-κ<i>O</i>)copper(II)]
• Formula: C34 H30 Cu2 N14 O10
• Calculated formula: C34 H30 Cu2 N14 O10
• SMILES: c1(ccc(cc1)N=N#N)C1=[O][Cu]234(OC(c5ccc(N=N#N)cc5)=[O][Cu]4(O1)([O]=C(c1ccc(cc1)N=N#N)O2)(OC(c1ccc(N=N#N)cc1)=[O]3)[O]=CN(C)C)[O]=CN(C)C
• Title of publication: Tetrakis(μ-4-azidobenzoato-κ^2^<i>O</i>:<i>O</i>')bis[(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)copper(II)]
• Authors of publication: Wang, Aidong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 1
• Pages of publication: m43
• a: 11.9209 ± 0.0008 Å
• b: 17.9387 ± 0.001 Å
• c: 9.368 ± 0.0005 Å
• α: 90°
• β: 91.277 ± 0.005°
• γ: 90°
• Cell volume: 2002.8 ± 0.2 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.038
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0872
• Weighted residual factors for all reflections included in the refinement: 0.0911
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes