Information card for entry 1562549

Structure parameters

• Formula: C29 H40 Si2 Zr2
• Calculated formula: C29 H40 Si2 Zr2
• Title of publication: Mechanistic insights into dehydrocoupling of amine boranes using dinuclear zirconocene complexes
• Authors of publication: Lindenau, Kevin; Jannsen, Nora; Rippke, Mirko; Al Hamwi, Hanan; Selle, Carmen; Drexler, Hans-Joachim; Spannenberg, Anke; Sawall, Mathias; Neymeyr, Klaus; Heller, Detlef; Reiß, Fabian; Beweries, Torsten
• Journal of publication: Catalysis Science & Technology
• Year of publication: 2021
• Journal volume: 11
• Journal issue: 12
• Pages of publication: 4034 - 4050
• a: 8.4309 ± 0.0006 Å
• b: 8.6096 ± 0.0006 Å
• c: 10.3197 ± 0.0008 Å
• α: 89.1575 ± 0.0017°
• β: 78.2307 ± 0.0018°
• γ: 74.7766 ± 0.0017°
• Cell volume: 706.99 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0328
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0889
• Weighted residual factors for all reflections included in the refinement: 0.089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No