Information card for entry 4068990

Structure parameters

• Formula: C25 H60 N2 P2 Si Zr
• Calculated formula: C25 H60 N2 P2 Si Zr
• SMILES: [Zr]12(N(C(C)(C)C)[Si]([N]2(CC[P]1(C(C)C)C(C)C)CCP(C(C)C)C(C)C)(C)C)(C)(C)C
• Title of publication: Synthesis and Reactivity of Titanium and Zirconium Complexes Supported by a Multidentate Monoanionic [N2P2] Ligand
• Authors of publication: Chomitz, Wayne A.; Sutton, Andrew D.; Krinsky, Jamin L.; Arnold, John
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 12
• Pages of publication: 3338
• a: 8.0482 ± 0.0017 Å
• b: 9.626 ± 0.002 Å
• c: 23.012 ± 0.005 Å
• α: 94.477 ± 0.003°
• β: 96.876 ± 0.003°
• γ: 111.824 ± 0.003°
• Cell volume: 1628.5 ± 0.6 ų
• Cell temperature: 155 ± 2 K
• Ambient diffraction temperature: 155 ± 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: 0.0435
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0808
• Weighted residual factors for all reflections included in the refinement: 0.0858
• Goodness-of-fit parameter for all reflections included in the refinement: 0.972
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No