Information card for entry 4065963

Structure parameters

• Common name: (N3N)Zr[N,N:eta2-(iPrN)2C(PPh2)], 9
• Formula: C34 H63 N6 P Si3 Zr
• Calculated formula: C34 H63 N6 P Si3 Zr
• SMILES: [Zr]1234(N([Si](C)(C)C)CC[N]3(CCN1[Si](C)(C)C)CCN2[Si](C)(C)C)[N](=C(N4C(C)C)P(c1ccccc1)c1ccccc1)C(C)C
• Title of publication: Insertion Reactions and Catalytic Hydrophosphination by Triamidoamine-Supported Zirconium Complexes
• Authors of publication: Roering, Andrew J.; Leshinski, Sarah E.; Chan, Stephanie M.; Shalumova, Tamila; MacMillan, Samantha N.; Tanski, Joseph M.; Waterman, Rory
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 11
• Pages of publication: 2557
• a: 9.8866 ± 0.0013 Å
• b: 11.6253 ± 0.0015 Å
• c: 18.429 ± 0.002 Å
• α: 99.906 ± 0.002°
• β: 99.369 ± 0.002°
• γ: 98.168 ± 0.002°
• Cell volume: 2027 ± 0.4 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.034
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.0615
• Weighted residual factors for all reflections included in the refinement: 0.0658
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No