Information card for entry 4114796

Structure parameters

• Formula: C8 H14 Cu N6 S2
• Calculated formula: C8 H14 Cu N6 S2
• SMILES: C1(=N[N]2[Cu]3([N](=C(C=2C)C)N=C(NC)S3)S1)NC
• Title of publication: An Unusual Dimeric Structure of a Cu(I) Bis(thiosemicarbazone) Complex: Implications for the Mechanism of Hypoxic Selectivity of the Cu(II) Derivatives
• Authors of publication: Andrew R. Cowley; Jonathan R. Dilworth; Paul S. Donnelly; Elena Labisbal; Antonio Sousa
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 5270 - 5271
• a: 12.3084 ± 0.0004 Å
• b: 12.9874 ± 0.0005 Å
• c: 8.2414 ± 0.0003 Å
• α: 90°
• β: 90.591 ± 0.003°
• γ: 90°
• Cell volume: 1317.35 ± 0.08 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0243
• Weighted residual factors for all reflections included in the refinement: 0.0298
• 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: No