Information card for entry 4078338

Structure parameters

• Formula: C31.5 H21 B F10 Si
• Calculated formula: C31.5 H19.5 B F10 Si
• Title of publication: Synthesis of Cyclopentadienyl-, Indenyl-, and Fluorenylbis(pentafluorophenyl)boranes as Ligands in Titanium and Zirconium Half-Sandwich Complexes. The Crystal Structures of C13H9B(C6F5)2·t-BuNH2, C13H8SiMe3B(C6F5)2, and {η5-C5H4B(C6F5)2}TiCl3
• Authors of publication: Duchateau, Robbert; Lancaster, Simon J.; Thornton-Pett, Mark; Bochmann, Manfred
• Journal of publication: Organometallics
• Year of publication: 1997
• Journal volume: 16
• Journal issue: 23
• Pages of publication: 4995
• a: 7.8748 ± 0.0008 Å
• b: 8.6936 ± 0.0009 Å
• c: 20.896 ± 0.002 Å
• α: 96.057 ± 0.01°
• β: 98.008 ± 0.01°
• γ: 98.856 ± 0.009°
• Cell volume: 1387.9 ± 0.2 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 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: 0.06
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for all reflections: 0.1448
• Weighted residual factors for significantly intense reflections: 0.1425
• Goodness-of-fit parameter for all reflections: 1.095
• Goodness-of-fit parameter for significantly intense reflections: 1.113
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Duplicate of: 4078337
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No