Information card for entry 7105684

Structure parameters

• Formula: C50 H70 B N5 Ti
• Calculated formula: C50 H70 B N5 Ti
• Title of publication: Contrasting reactivity of anionic boron- and gallium-containing NHC analogues: E-C vs. E-M bond formation (E = B, Ga)
• Authors of publication: Andrey V. Protchenko; Liban M.A. Saleh; Dragoslav Vidovic; Deepack Dange; Cameron Jones; Philip Mountford; Simon Aldridge
• Journal of publication: Chem.Commun.
• Year of publication: 2010
• Journal volume: 46
• Pages of publication: 8546
• a: 40.1529 ± 0.0003 Å
• b: 10.8763 ± 0.0001 Å
• c: 25.0464 ± 0.0002 Å
• α: 90°
• β: 106.853 ± 0.0004°
• γ: 90°
• Cell volume: 10468.3 ± 0.15 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0773
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for all reflections: 0.1627
• Weighted residual factors for significantly intense reflections: 0.1505
• Weighted residual factors for all reflections included in the refinement: 0.1627
• Goodness-of-fit parameter for all reflections included in the refinement: 0.948
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No