Information card for entry 7050356

Structure parameters

• Formula: C25 H27 Cu N11 O S2
• Calculated formula: C25 H27 Cu N11 O S2
• SMILES: [Cu]12(N=C=S)(N=C=S)([n]3ccn(C)c3N=[N]1c1ccccc1)[n]1ccn(C)c1N=[N]2c1ccccc1.C(=O)N(C)C
• Title of publication: Copper coordination compounds of chelating imidazole-azo-aryl ligand. The molecular structures of bis[1-ethyl-2-(p-tolylazo)imidazole]-bis-(azido)copper(ii) and bis[1-methyl-2-(phenylazo)imidazole]-bis(thiocyanato)copper(ii)
• Authors of publication: Ray, Umasankar; Banerjee, Debasis; Mostafa, Golam; Lu, Tian-Huey; Sinha, Chittaranjan
• Journal of publication: New Journal of Chemistry
• Year of publication: 2004
• Journal volume: 28
• Journal issue: 12
• Pages of publication: 1437
• a: 8.7294 ± 0.0007 Å
• b: 12.1861 ± 0.001 Å
• c: 15.3426 ± 0.0012 Å
• α: 72.435 ± 0.001°
• β: 79.668 ± 0.001°
• γ: 89.855 ± 0.002°
• Cell volume: 1528.5 ± 0.2 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0839
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1369
• Weighted residual factors for all reflections included in the refinement: 0.1529
• Goodness-of-fit parameter for all reflections included in the refinement: 0.892
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoK\α
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No