Information card for entry 7030905

Structure parameters

• Formula: C37 H48 Cl N3 P2 Ti
• Calculated formula: C37 H48 Cl N3 P2 Ti
• SMILES: C1=P(c2ccccc2)(c2ccccc2)N(C(C)(C)C)[Ti]([N](C(C)(C)C)=P1(c1ccccc1)c1ccccc1)(=NC(C)(C)C)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: 10.6873 ± 0.0002 Å
• b: 10.9883 ± 0.0003 Å
• c: 18.1781 ± 0.0004 Å
• α: 86.435 ± 0.001°
• β: 86.02 ± 0.001°
• γ: 65.267 ± 0.001°
• Cell volume: 1932.95 ± 0.08 ų
• Cell temperature: 115 K
• Ambient diffraction temperature: 115 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: 0.0459
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.1137
• Weighted residual factors for all reflections included in the refinement: 0.1177
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No