Information card for entry 7114960

Structure parameters

• Chemical name: [Ti(N-t-Bu){C(Me2pz)3}Cl(THF)]
• Formula: C27.5 H42 Cl N7 O Ti
• Calculated formula: C27.5 H42 Cl N7 O Ti
• Title of publication: A structurally characterised, naked sp3-hybridised carbanion in the zwitterionic imido complex [Ti(NBut){C(Me2pz)3}Cl(THF)] (HMe2pz = 3,5-dimethylpyrazole)
• Authors of publication: Lawrence, Sally C.; Skinner, Michael E. G.; Green, Jennifer C.; Mountford, Philip
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 8
• Pages of publication: 705
• a: 23.894 ± 0.002 Å
• b: 13.89 ± 0.0009 Å
• c: 20.034 ± 0.0009 Å
• α: 90°
• β: 114.882 ± 0.003°
• γ: 90°
• Cell volume: 6031.8 ± 0.7 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.0573
• Goodness-of-fit parameter for significantly intense reflections: 1.0753
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No