Information card for entry 4000915

Structure parameters

• Formula: C20 H40 N6 Ni O2 S2
• Calculated formula: C20 H40 N6 Ni O2 S2
• SMILES: [Ni]12(SC(=NC(=[O]2)N(CC)CC)N(CC)CC)SC(=NC(=[O]1)N(CC)CC)N(CC)CC
• Title of publication: Nickel Sulfide Thin Films from Thio- and Dithiobiuret Precursors
• Authors of publication: Ramasamy, Karthik; Malik, Mohammad A.; O’Brien, Paul; Raftery, James; Helliwell, Madeleine
• Journal of publication: Chemistry of Materials
• Year of publication: 2010
• Journal volume: 22
• Journal issue: 23
• Pages of publication: 6328
• a: 10.6895 ± 0.0018 Å
• b: 18.763 ± 0.003 Å
• c: 25.788 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5172.2 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.042
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0646
• Weighted residual factors for all reflections included in the refinement: 0.0679
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No