Information card for entry 1562548

Structure parameters

• Formula: C33 H50 N2 Si2 Zr2
• Calculated formula: C33 H50 N2 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: 16.1662 ± 0.0015 Å
• b: 12.7556 ± 0.0012 Å
• c: 16.3557 ± 0.0015 Å
• α: 90°
• β: 96.7815 ± 0.0018°
• γ: 90°
• Cell volume: 3349.1 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0527
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1129
• Weighted residual factors for all reflections included in the refinement: 0.1216
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No