Information card for entry 2233793

Structure parameters

• Chemical name: Bis{μ-2-[bis(pyridin-2- yl)methylidene]hydrazinecarbothioamidato}bis[bromidocopper(II)] methanol disolvate
• Formula: C26 H28 Br2 Cu2 N10 O2 S2
• Calculated formula: C26 H28 Br2 Cu2 N10 O2 S2
• SMILES: NC1=N[N]2=C3c4cccc[n]4[Cu]45([N](=C(c6[n]([Cu]2(S1)(Br)[n]1c3cccc1)cccc6)c1[n]5cccc1)N=C(S4)N)Br.OC.OC
• Title of publication: Bis{μ-2-[bis(pyridin-2-yl)methylidene]hydrazinecarbothioamidato}bis[bromidocopper(II)] methanol disolvate
• Authors of publication: Kunnath, Roji J.; Sithambaresan, M.; Kurup, M. R. Prathapachandra; Natarajan, Aiswarya; Aravindakshan, A. Ambili
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: m346 - m347
• a: 8.3052 ± 0.0007 Å
• b: 9.212 ± 0.0007 Å
• c: 11.05 ± 0.0009 Å
• α: 68.341 ± 0.002°
• β: 79.127 ± 0.003°
• γ: 84.913 ± 0.002°
• Cell volume: 771.45 ± 0.11 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0393
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0891
• Weighted residual factors for all reflections included in the refinement: 0.0939
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes