Information card for entry 4065962

Structure parameters

• Common name: (N3N)ZrPhNC(O)PPh2, 11
• Formula: C34 H54 N5 O P Si3 Zr
• Calculated formula: C34 H54 N5 O P Si3 Zr
• SMILES: [Zr]1234(OC(P(c5ccccc5)c5ccccc5)=[N]4c4ccccc4)N([Si](C)(C)C)CC[N]3(CCN1[Si](C)(C)C)CCN2[Si](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: 10.0233 ± 0.0004 Å
• b: 10.7297 ± 0.0005 Å
• c: 19.9437 ± 0.0009 Å
• α: 76.009 ± 0.001°
• β: 76.328 ± 0.001°
• γ: 70.697 ± 0.001°
• Cell volume: 1935.38 ± 0.15 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0356
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0716
• Weighted residual factors for all reflections included in the refinement: 0.0752
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No