Information card for entry 4068992

Structure parameters

• Formula: C26 H60 Cl N3 P2 Si Ti
• Calculated formula: C26 H60 Cl N3 P2 Si Ti
• SMILES: [Ti]12(Cl)(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)=NC(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: 18.935 ± 0.003 Å
• b: 17.017 ± 0.002 Å
• c: 21.658 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6978.6 ± 1.7 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 7
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0643
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.0945
• Weighted residual factors for all reflections included in the refinement: 0.1035
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No