Information card for entry 4332692

Structure parameters

• Formula: C23 H27 N4 P Ti
• Calculated formula: C23 H27 N4 P Ti
• SMILES: C1N(c2ccccc2)[Ti]2(N(CP1CN2c1ccccc1)c1ccccc1)N(C)C
• Title of publication: Diligating Tripodal Amido-Phosphine Ligands: the Effect of a Proximal Antipodal Early Transition Metal on Phosphine Donor Ability in a Building Block for Heterometallic Complexes
• Authors of publication: Han, Hua; Elsmaili, Mona; Johnson, Samuel A.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 18
• Pages of publication: 7435 - 7445
• a: 11.96 ± 0.0008 Å
• b: 14.4825 ± 0.0009 Å
• c: 12.8136 ± 0.0008 Å
• α: 90°
• β: 90.081 ± 0.001°
• γ: 90°
• Cell volume: 2219.5 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0376
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0956
• Weighted residual factors for all reflections included in the refinement: 0.0992
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No