Information card for entry 2012450

Structure parameters

• Chemical name: μ~4~-oxo-hexa-μ-chloro-tetrakis[(2-methyl-2-thiazoline)copper(II)]
• Formula: C16 H28 Cl6 Cu4 N4 O S4
• Calculated formula: C16 H28 Cl6 Cu4 N4 O S4
• SMILES: C1(C)=[N](CCS1)[Cu]123[O]45[Cu]6([N]7=C(SCC7)C)([Cl]1)[Cl][Cu]4([N]1=C(SCC1)C)([Cl][Cu]5([Cl]2)([Cl]6)[N]1=C(C)SCC1)[Cl]3
• Title of publication: Hexa-μ-chloro-μ~4~-oxo-tetrakis[(4,5-dihydro-2-methyl-1,2-thiazole-κ<i>N</i>)copper(II)]
• Authors of publication: Bolos, C. A.; Christidis, P. C.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 1
• Pages of publication: m29 - m30
• a: 10.3705 ± 0.0018 Å
• b: 14.903 ± 0.002 Å
• c: 20.375 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3149 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1708
• Residual factor for significantly intense reflections: 0.0635
• Weighted residual factors for significantly intense reflections: 0.1033
• Weighted residual factors for all reflections included in the refinement: 0.127
• Goodness-of-fit parameter for all reflections included in the refinement: 0.901
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No