Information card for entry 4075214

Structure parameters

• Formula: C18.5 H36 B9 N3 Ti
• Calculated formula: C18.5 H35.5 B9 N3 Ti
• Title of publication: Synthesis, Structure, and Olefin Polymerization Behavior of Constrained-Geometry Group 4 Metallacarboranes Incorporating Imido-Dicarbollyl Ligands
• Authors of publication: Gao, Mingli; Tang, Yong; Xie, Meihua; Qian, Changtao; Xie, Zuowei
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 10
• Pages of publication: 2578
• a: 10.2187 ± 0.0015 Å
• b: 10.6785 ± 0.0016 Å
• c: 12.6567 ± 0.0019 Å
• α: 106.781 ± 0.003°
• β: 91.443 ± 0.003°
• γ: 103.302 ± 0.003°
• Cell volume: 1280.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1342
• Residual factor for significantly intense reflections: 0.1166
• Weighted residual factors for significantly intense reflections: 0.3277
• Weighted residual factors for all reflections included in the refinement: 0.3441
• Goodness-of-fit parameter for all reflections included in the refinement: 1.436
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No