Information card for entry 2217329

Structure parameters

• Chemical name: Di-μ-thiocyanato-bis({2,4-dichloro-6-[2- (diethylamino)ethyliminomethyl]phenolato}copper(II))
• Formula: C14 H17 Cl2 Cu N3 O S
• Calculated formula: C14 H17 Cl2 Cu N3 O S
• SMILES: C1c2c(O[Cu]3([N]=1CC[N]3(CC)CC)N=C=S)c(cc(c2)Cl)Cl
• Title of publication: Di-μ-thiocyanato-bis({2,4-dichloro-6-[2-(diethylamino)ethyliminomethyl]phenolato}copper(II))
• Authors of publication: Xian-Wen Li; Yang Qiu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: m218 - m218
• a: 8.632 ± 0.002 Å
• b: 14.115 ± 0.003 Å
• c: 14.002 ± 0.003 Å
• α: 90°
• β: 90.491 ± 0.004°
• γ: 90°
• Cell volume: 1706 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0507
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.1122
• Weighted residual factors for all reflections included in the refinement: 0.118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes