Information card for entry 2015622

Structure parameters

• Common name: tris(<i>cis</i>-1,2-diphenylethylene-1,2-dithiolato)rhenium
• Chemical name: tris(<i>cis</i>-1,2-diphenylethylene-1,2-dithiolato)rhenium
• Formula: C42 H30 Re S6
• Calculated formula: C42 H30 Re S6
• SMILES: [Re]123(SC(=C(S1)c1ccccc1)c1ccccc1)(SC(=C(S2)c1ccccc1)c1ccccc1)SC(=C(S3)c1ccccc1)c1ccccc1
• Title of publication: Redetermination of the trigonal prismatic complex tris(<i>cis</i>-1,2-diphenylethylene-1,2-dithiolato)rhenium
• Authors of publication: Eisenberg, Richard; Brennessel, William W.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 10
• Pages of publication: m464 - m466
• a: 9.7949 ± 0.0009 Å
• b: 10.8765 ± 0.001 Å
• c: 19.4517 ± 0.0017 Å
• α: 80.19 ± 0.001°
• β: 76.77 ± 0.001°
• γ: 68.758 ± 0.001°
• Cell volume: 1871.5 ± 0.3 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0476
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0853
• Weighted residual factors for all reflections included in the refinement: 0.0893
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes