Information card for entry 2236540

Structure parameters

• Chemical name: Di-μ-sulfido-bis{[<i>rac</i>-1,2-bis(η^5^-4,5,6,7-tetrahydroinden-1- yl)ethane]zirconium(IV)} toluene monosolvate
• Formula: C47 H56 S2 Zr2
• Calculated formula: C47 H56 S2 Zr2
• Title of publication: Di-μ-sulfido-bis{[<i>rac</i>-1,2-bis(η^5^-4,5,6,7-tetrahydroinden-1-yl)ethane]zirconium(IV)} toluene monosolvate
• Authors of publication: Haehnel, Martin; Altenburger, Kai; Spannenberg, Anke; Arndt, Perdita; Rosenthal, Uwe
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 11
• Pages of publication: m1425
• a: 12.6436 ± 0.0003 Å
• b: 20.9735 ± 0.0004 Å
• c: 14.8855 ± 0.0003 Å
• α: 90°
• β: 105.092 ± 0.002°
• γ: 90°
• Cell volume: 3811.2 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0329
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for significantly intense reflections: 0.0704
• Weighted residual factors for all reflections included in the refinement: 0.0717
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes