Information card for entry 7105683

Structure parameters

• Formula: C45 H65 Ga N4 Ti
• Calculated formula: C45 H65 Ga N4 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: 12.3804 ± 0.0001 Å
• b: 16.7775 ± 0.0002 Å
• c: 21.6398 ± 0.0002 Å
• α: 90°
• β: 105.259 ± 0.0005°
• γ: 90°
• Cell volume: 4336.39 ± 0.07 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0826
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for all reflections: 0.1078
• Weighted residual factors for significantly intense reflections: 0.0961
• Weighted residual factors for all reflections included in the refinement: 0.1077
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9483
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No