Information card for entry 2240787

Structure parameters

• Chemical name: Bis{<i>S</i>-hexyl 3-[4-(dimethylamino)benzylidene]dithiocarbazato-κ^2^<i>N</i>^3^,<i>S</i>}copper(II)
• Formula: C32 H48 Cu N6 S4
• Calculated formula: C32 H48 Cu N6 S4
• SMILES: N1=C(S[Cu]2([N]1=Cc1ccc(cc1)N(C)C)[N](=Cc1ccc(cc1)N(C)C)N=C(S2)SCCCCCC)SCCCCCC
• Title of publication: Crystal structure of bis{<i>S</i>-hexyl 3-[4-(dimethylamino)benzylidene]dithiocarbazato-κ^2^<i>N</i>^3^,<i>S</i>}copper(II)
• Authors of publication: Zangrando, E.; Begum, M. S.; Miyatake, R.; Sheikh, M. C.; Hossain, Md. M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 6
• Pages of publication: 706 - 708
• a: 15.0457 ± 0.0004 Å
• b: 5.23947 ± 0.0001 Å
• c: 22.1944 ± 0.0005 Å
• α: 90°
• β: 95.7007 ± 0.0007°
• γ: 90°
• Cell volume: 1740.96 ± 0.07 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for all reflections included in the refinement: 0.1017
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes