Information card for entry 7016838

Structure parameters

• Formula: C14 H20 N4 Se
• Calculated formula: C14 H20 N4 Se
• SMILES: [Se-]C(=N[NH+]=C(C)c1ncccc1)N1CCC(CC1)C
• Title of publication: Synthesis, structures and anti-malaria activity of some gold(i) phosphine complexes containing seleno- and thiosemicarbazonato ligands.
• Authors of publication: Molter, Anja; Rust, Jörg; Lehmann, Christian W.; Deepa, Ganesh; Chiba, Peter; Mohr, Fabian
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 38
• Pages of publication: 9810 - 9820
• a: 12.7398 ± 0.0004 Å
• b: 9.0666 ± 0.0004 Å
• c: 26.1314 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3018.4 ± 0.2 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 199.85 K
• Number of distinct elements: 4
• 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: 0.076
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.081
• Weighted residual factors for all reflections included in the refinement: 0.0866
• Goodness-of-fit parameter for all reflections included in the refinement: 0.888
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No