Information card for entry 7030904

Structure parameters

• Formula: C41 H40 Cl N3 P2 Ti
• Calculated formula: C41 H40 Cl N3 P2 Ti
• SMILES: N(C(C)(C)C)=[Ti]1([N](c2ccccc2)=P(c2ccccc2)(c2ccccc2)C=P(c2ccccc2)(c2ccccc2)N1c1ccccc1)Cl
• Title of publication: Titanium imido complexes stabilised by bis(iminophosphoranyl)methanide ligands: the influence of N-substituents on solution dynamics and reactivity.
• Authors of publication: Normand, Adrien T.; Massard, Alexandre; Richard, Philippe; Canovas, Coline; Balan, Cédric; Picquet, Michel; Auffrant, Audrey; Le Gendre, Pierre
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 40
• Pages of publication: 15098 - 15110
• a: 20.8571 ± 0.0005 Å
• b: 9.9387 ± 0.0002 Å
• c: 17.6389 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3656.41 ± 0.14 ų
• Cell temperature: 115 K
• Ambient diffraction temperature: 115 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0356
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0658
• Weighted residual factors for all reflections included in the refinement: 0.0686
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No