Information card for entry 4000887

Structure parameters

• Formula: C30 H60 Co N9 S6
• Calculated formula: C30 H60 Co N9 S6
• SMILES: C(C)N(CC)C1=NC(N(CC)CC)=[S][Co]23(S1)([S]=C(N(CC)CC)N=C(N(CC)CC)S2)SC(=NC(N(CC)CC)=[S]3)N(CC)CC
• Title of publication: Selective Deposition of Cobalt Sulfide Nanostructured Thin Films from Single-Source Precursors
• Authors of publication: Ramasamy, Karthik; Malik, Mohammad A.; Raftery, James; Tuna, Floriana; O’Brien, Paul
• Journal of publication: Chemistry of Materials
• Year of publication: 2010
• Journal volume: 22
• Journal issue: 17
• Pages of publication: 4919
• a: 9.5808 ± 0.0008 Å
• b: 42.691 ± 0.004 Å
• c: 9.6376 ± 0.0008 Å
• α: 90°
• β: 97.435 ± 0.002°
• γ: 90°
• Cell volume: 3908.8 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.1117
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.0789
• Weighted residual factors for all reflections included in the refinement: 0.0918
• Goodness-of-fit parameter for all reflections included in the refinement: 0.891
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No