Information card for entry 7024950

Structure parameters

• Formula: C28 H56 Cu N6 O2 S2
• Calculated formula: C28 H56 Cu N6 O2 S2
• SMILES: C(C)(C)N(C(C)C)C1=[S][Cu]2(OC(=N1)N(C(C)C)C(C)C)OC(=NC(N(C(C)C)C(C)C)=[S]2)N(C(C)C)C(C)C
• Title of publication: Metal complexes of thiobiurets and dithiobiurets: Novel single source precursors for metal sulfide thin film nanostructures.
• Authors of publication: Ramasamy, Karthik; Malik, Mohammad A.; O'Brien, Paul; Raftery, James
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 6
• Pages of publication: 1460 - 1463
• a: 7.952 ± 0.002 Å
• b: 11.127 ± 0.003 Å
• c: 11.142 ± 0.003 Å
• α: 65.992 ± 0.006°
• β: 72.469 ± 0.005°
• γ: 79.123 ± 0.006°
• Cell volume: 856.3 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1681
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.0682
• Weighted residual factors for all reflections included in the refinement: 0.0896
• Goodness-of-fit parameter for all reflections included in the refinement: 0.491
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No