Information card for entry 4070575

Structure parameters

• Formula: C20 H16 N4 S4
• Calculated formula: C20 H16 N4 S4
• SMILES: S1C(SC(=C1SCCC#N)SCCC#N)=C(c1ccccn1)c1ncccc1
• Title of publication: Syntheses, Structures, and Properties of Tricarbonyl Rhenium(I) Heteronuclear Complexes with a New Bridging Ligand Containing Coupled Bis(2-pyridyl) and 1,2-Dithiolene Units
• Authors of publication: Liu, Wei; Wang, Ru; Zhou, Xin-Hui; Zuo, Jing-Lin; You, Xiao-Zeng
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 1
• Pages of publication: 126
• a: 5.195 ± 0.005 Å
• b: 9.58 ± 0.009 Å
• c: 41.29 ± 0.04 Å
• α: 90°
• β: 90 ± 0.018°
• γ: 90°
• Cell volume: 2055 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0948
• Residual factor for significantly intense reflections: 0.0862
• Weighted residual factors for significantly intense reflections: 0.2298
• Weighted residual factors for all reflections included in the refinement: 0.243
• Goodness-of-fit parameter for all reflections included in the refinement: 1.154
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No