Information card for entry 7201240

Structure parameters

• Common name: N/A
• Formula: C11 H17 Cl2 N Ti
• Calculated formula: C11 H18 Cl2 N Ti
• Title of publication: Catalytic dechlorination of polychlorinated biphenyls (PCBs) using amine functionalised titanocenes
• Authors of publication: Fletcher, Andrew E.D.; Hyatt, Jonathan D.; Ok, Kang Min; O'Hare, Dermot
• Journal of publication: Green Chemistry
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 9
• Pages of publication: 1343
• a: 7.3084 ± 0.0015 Å
• b: 10.576 ± 0.002 Å
• c: 8.5363 ± 0.0017 Å
• α: 90°
• β: 102.7 ± 0.03°
• γ: 90°
• Cell volume: 643.7 ± 0.2 ų
• Cell temperature: 150 ± 0.2 K
• Ambient diffraction temperature: 150 ± 0.2 K
• Number of distinct elements: 5
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0477
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0975
• Weighted residual factors for all reflections included in the refinement: 0.1042
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No