Information card for entry 7019488

Structure parameters

• Formula: C25 H34 N2 S2
• Calculated formula: C25 H34 N2 S2
• SMILES: S(c1cc(cc2c1N1CN(C2)c2c(C1)cc(cc2SCCCC)C)C)CCCC
• Title of publication: Synthesis and characterization of novel S,N and Se,N homodimetallic Ag(i)-complexes.
• Authors of publication: Cvengroš, Ján; Maennel, Elisabeth; Santschi, Nico
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 24
• Pages of publication: 7415 - 7422
• a: 8.3248 ± 0.0002 Å
• b: 11.8592 ± 0.0003 Å
• c: 12.5893 ± 0.0002 Å
• α: 81.416 ± 0.001°
• β: 85.768 ± 0.001°
• γ: 69.882 ± 0.001°
• Cell volume: 1153.64 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0862
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.0704
• Weighted residual factors for all reflections included in the refinement: 0.0804
• Goodness-of-fit parameter for all reflections included in the refinement: 0.846
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No