Information card for entry 1520741

Structure parameters

• Formula: C39 H69 Ga N2 Si3
• Calculated formula: C39 H69 Ga N2 Si3
• Title of publication: Rational synthesis of normal, abnormal and anionic NHC‒gallium alkyl complexes: structural, stability and isomerization insights
• Authors of publication: Uzelac, Marina; Hernán-Gómez, Alberto; Armstrong, David R.; Kennedy, Alan R.; Hevia, Eva
• Journal of publication: Chem. Sci.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 10
• Pages of publication: 5719
• a: 10.5026 ± 0.0005 Å
• b: 11.3327 ± 0.0007 Å
• c: 19.4036 ± 0.0009 Å
• α: 85.025 ± 0.004°
• β: 85.154 ± 0.004°
• γ: 71.124 ± 0.005°
• Cell volume: 2173.1 ± 0.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0358
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0848
• Weighted residual factors for all reflections included in the refinement: 0.0879
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No