Information card for entry 4071059

Structure parameters

• Formula: C41.5 H39 Cl2 N O Ti
• Calculated formula: C41.5 H39 Cl2 N O Ti
• Title of publication: Tetrabenzo[a,c,g,i]fluorenyltitanium(III) and -(IV) Complexes: Syntheses, Reactions, and Catalytic Application
• Authors of publication: Schröder, Kai; Haase, Detlev; Saak, Wolfgang; Beckhaus, Ruediger; Kretschmer, Winfried P.; Lützen, Arne
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 8
• Pages of publication: 1859
• a: 10.2441 ± 0.0005 Å
• b: 14.2527 ± 0.0007 Å
• c: 14.5183 ± 0.0007 Å
• α: 62.46 ± 0.005°
• β: 75.719 ± 0.006°
• γ: 70.775 ± 0.006°
• Cell volume: 1763.42 ± 0.18 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 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: 0.0492
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.1075
• Weighted residual factors for all reflections included in the refinement: 0.1119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No