Information card for entry 1520744

Structure parameters

• Formula: C43 H77 Ga N2 O Si3
• Calculated formula: C43 H77 Ga N2 O 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: 11.3181 ± 0.0005 Å
• b: 13.8704 ± 0.0007 Å
• c: 17.8645 ± 0.0006 Å
• α: 69.483 ± 0.004°
• β: 71.891 ± 0.003°
• γ: 67.251 ± 0.004°
• Cell volume: 2371.9 ± 0.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0399
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0907
• Weighted residual factors for all reflections included in the refinement: 0.0945
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No