Information card for entry 1100810

Structure parameters

• Chemical name: [Ti2(mu-O)2(C5H4Me)2{Me3SiNC(C6H5)NCH2CH2NMe2}2]
• Formula: C40 H62 N6 O2 Si2 Ti2
• Calculated formula: C40 H62 N6 O2 Si2 Ti2
• Title of publication: Pendant Arm Functionalized Benzamidinate Titanium Imido Compounds: Experimental and Computational Studies of Their Reactions with CO~2~
• Authors of publication: Boyd, Catherine L.; Clot, Eric; Guiducci, Aldo E.; Mountford, Philip
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 10
• Pages of publication: 2347 - 2367
• a: 12.7045 ± 0.0004 Å
• b: 16.1774 ± 0.0004 Å
• c: 22.812 ± 0.0008 Å
• α: 108.2 ± 0.001°
• β: 94.168 ± 0.001°
• γ: 90.162 ± 0.002°
• Cell volume: 4440.5 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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 significantly intense reflections: 0.0522
• Weighted residual factors for all reflections included in the refinement: 0.0575
• Goodness-of-fit parameter for all reflections included in the refinement: 0.2534
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No