Information card for entry 4339845

Structure parameters

• Formula: C21 H45 N4 P Si3 Zr
• Calculated formula: C21 H45 N4 P Si3 Zr
• SMILES: [Zr]123(Pc4ccccc4)N([Si](C)(C)C)CC[N]3(CCN1[Si](C)(C)C)CCN2[Si](C)(C)C
• Title of publication: Zirconium-catalyzed heterodehydrocoupling of primary phosphines with silanes and germanes.
• Authors of publication: Roering, Andrew J.; MacMillan, Samantha N.; Tanski, Joseph M.; Waterman, Rory
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 17
• Pages of publication: 6855 - 6857
• a: 10.3288 ± 0.0005 Å
• b: 11.9466 ± 0.0006 Å
• c: 23.6364 ± 0.0012 Å
• α: 90°
• β: 93.379 ± 0.001°
• γ: 90°
• Cell volume: 2911.5 ± 0.3 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 2 K
• Number of distinct elements: 6
• 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: 0.0638
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0681
• Weighted residual factors for all reflections included in the refinement: 0.0776
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No