Information card for entry 7706242

Structure parameters

• Formula: C44 H74 Cl N2 O P2 Si Ti
• Calculated formula: C44 H74 Cl N2 O P2 Si Ti
• Title of publication: Experimental and theoretical investigation of the reactivity of [(BDI*)Ti(Cl){η²-P(SiMe₃)-P<i>i</i>Pr₂}] towards selected ketones.
• Authors of publication: Ziółkowska, Aleksandra; Szynkiewicz, Natalia; Ponikiewski, Łukasz
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 4
• Pages of publication: 1390 - 1401
• a: 11.9781 ± 0.0004 Å
• b: 16.4161 ± 0.0007 Å
• c: 23.1523 ± 0.0007 Å
• α: 90.431 ± 0.003°
• β: 91.187 ± 0.003°
• γ: 92.522 ± 0.003°
• Cell volume: 4547 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1788
• Residual factor for significantly intense reflections: 0.0985
• Weighted residual factors for significantly intense reflections: 0.2791
• Weighted residual factors for all reflections included in the refinement: 0.3278
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No