Information card for entry 2015197

Structure parameters

• Chemical name: di-μ-thiocyanato-bis{[2,4-dichloro-6-(2- pyridylmethyliminomethyl)phenolato]copper(II)}
• Formula: C28 H18 Cl4 Cu2 N6 O2 S2
• Calculated formula: C28 H18 Cl4 Cu2 N6 O2 S2
• SMILES: c12c(c(cc(c2)Cl)Cl)O[Cu]2([N](=C1)Cc1[n]2cccc1)N=C=S
• Title of publication: Di-μ-acetato-bis{[2,4-dichloro-6-(2-pyridylmethyliminomethyl)phenolato]zinc(II)} and di-μ-thiocyanato-bis{[2,4-dichloro-6-(2-pyridylmethyliminomethyl)phenolato]copper(II)}
• Authors of publication: You, Zhong-Lu
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 11
• Pages of publication: m466 - m468
• a: 8.718 ± 0.001 Å
• b: 13.387 ± 0.002 Å
• c: 13.564 ± 0.002 Å
• α: 90°
• β: 103.305 ± 0.002°
• γ: 90°
• Cell volume: 1540.5 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.082
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.0911
• Weighted residual factors for all reflections included in the refinement: 0.1046
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes