Information card for entry 4060889

Structure parameters

• Formula: C30 H26 Cl2 S2 Si Zr
• Calculated formula: C30 H26 Cl2 S2 Si Zr
• Title of publication: Palladium-Catalyzed Pathways to Aryl-Substituted Indenes: Efficient Synthesis of Ligands and the Respectiveansa-Zirconocenes
• Authors of publication: Izmer, Vyatcheslav V.; Lebedev, Artyom Y.; Nikulin, Mikhail V.; Ryabov, Alexey N.; Asachenko, Andrei F.; Lygin, Alexander V.; Sorokin, Denis A.; Voskoboynikov, Alexander Z.
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 5
• Pages of publication: 1217 - 1229
• a: 13.299 ± 0.003 Å
• b: 14.064 ± 0.003 Å
• c: 14.392 ± 0.003 Å
• α: 90°
• β: 98.414 ± 0.005°
• γ: 90°
• Cell volume: 2662.9 ± 1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0712
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.0917
• Weighted residual factors for all reflections included in the refinement: 0.1008
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No