Information card for entry 7050357

Structure parameters

• Formula: C24 H28 Cu N14
• Calculated formula: C24 H28 Cu N14
• SMILES: [Cu]12([n]3ccn(c3N=[N]1c1ccc(cc1)C)CC)([n]1ccn(c1N=[N]2c1ccc(cc1)C)CC)(N=N#N)N=N#N
• 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: 11.8632 ± 0.0008 Å
• b: 17.6782 ± 0.0013 Å
• c: 26.703 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5600.2 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1149
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1076
• Weighted residual factors for all reflections included in the refinement: 0.1249
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoK\α
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No