Information card for entry 2215445

Structure parameters

• Chemical name: Di-μ-thiocyanato-κ^4^N:N-bis({2-[2- (methylamino)ethyliminomethyl]phenolato}copper(II))
• Formula: C22 H26 Cu2 N6 O2 S2
• Calculated formula: C22 H26 Cu2 N6 O2 S2
• SMILES: [Cu]12([N](=Cc3c(O1)cccc3)CC[NH]2C)N=C=S
• Title of publication: Di-μ-thiocyanato-κ^4^<i>N</i>:<i>N</i>-bis({2-[2-(methylamino)ethyliminomethyl]phenolato}copper(II))
• Authors of publication: Wei, Yi-Jun; Wang, Feng-Wu; Zhu, Qi-Yong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 10
• Pages of publication: m2629 - m2629
• a: 8.3305 ± 0.0019 Å
• b: 16.982 ± 0.004 Å
• c: 9.137 ± 0.002 Å
• α: 90°
• β: 106.562 ± 0.003°
• γ: 90°
• Cell volume: 1239 ± 0.5 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: 0.1125
• Residual factor for significantly intense reflections: 0.0642
• Weighted residual factors for significantly intense reflections: 0.1396
• Weighted residual factors for all reflections included in the refinement: 0.1598
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes