Information card for entry 2236726

Structure parameters

• Chemical name: Di-μ-azido-κ^4^<i>N</i>^1^:<i>N</i>^1'^-bis({1-[(<i>E</i>)-phenyl(pyridin- 2-yl-κ<i>N</i>)methylidene]thiosemicarbazidato- κ^2^<i>N</i>^1^,<i>S</i>}copper(II))
• Formula: C26 H22 Cu2 N14 S2
• Calculated formula: C26 H22 Cu2 N14 S2
• SMILES: c1(ccccc1)C1c2[n]([Cu]34([N]=1N=C(N)S3)[N](=N#N)[Cu]13([n]5c(C(c6ccccc6)=[N]1N=C(N)S3)cccc5)[N]4=N#N)cccc2
• Title of publication: Di-μ-azido-κ^4^<i>N</i>^1^:<i>N</i>^1'^-bis({1-[(<i>E</i>)-phenyl(pyridin-2-yl-κ<i>N</i>)methylidene]thiosemicarbazidato-κ^2^<i>N</i>^1^,<i>S</i>}copper(II))
• Authors of publication: Kunnath, Roji J.; Prathapachandra Kurup, M. R.; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 9
• Pages of publication: m1195
• a: 11.2462 ± 0.0012 Å
• b: 7.2344 ± 0.001 Å
• c: 18.519 ± 0.002 Å
• α: 90°
• β: 96.653 ± 0.005°
• γ: 90°
• Cell volume: 1496.6 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0587
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1218
• Weighted residual factors for all reflections included in the refinement: 0.1337
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes