Information card for entry 2238604

Structure parameters

• Chemical name: μ-(2,6-Bis{[3-(dimethylamino)propyl]iminomethyl}-4-methylphenolato)-μ-hydroxido-bis[(thiocyanato-κ<i>N</i>)copper(II)]
• Formula: C21 H32 Cu2 N6 O2 S2
• Calculated formula: C21 H32 Cu2 N6 O2 S2
• SMILES: c12c3cc(cc1C=[N]1CCC[N](C)(C)[Cu]41(N=C=S)[O]2[Cu]1([N](=C3)CCC[N]1(C)C)(N=C=S)[OH]4)C
• Title of publication: μ-(2,6-Bis{[3-(dimethylamino)propyl]iminomethyl}-4-methylphenolato)-μ-hydroxido-bis[(thiocyanato-κ<i>N</i>)copper(II)]
• Authors of publication: Meera, M. G.; Selvaraj, P. Kamatchi; Viswanathan, B.; Ramkumar, V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 10
• Pages of publication: m542 - m543
• a: 11.9706 ± 0.0005 Å
• b: 13.7518 ± 0.0007 Å
• c: 16.9887 ± 0.0008 Å
• α: 90°
• β: 109.396 ± 0.002°
• γ: 90°
• Cell volume: 2637.9 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0478
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0905
• Weighted residual factors for all reflections included in the refinement: 0.1006
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No