Information card for entry 4088299

Structure parameters

• Formula: C64 H74 Ga2 O4 W
• Calculated formula: C64 H74 Ga2 O4 W
• Title of publication: Reactions of Terphenyl-Substituted Digallene AriPr4GaGaAriPr4 (AriPr4 = C6H3-2,6-(C6H3-2,6-iPr2)2) with Transition Metal Carbonyls and Theoretical Investigation of the Mechanism of Addition
• Authors of publication: McCrea-Hendrick, Madison L.; Caputo, Christine A.; Roberts, Christopher J.; Fettinger, James C.; Tuononen, Heikki M.; Power, Philip P.
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 4
• Pages of publication: 579
• a: 23.8431 ± 0.0011 Å
• b: 23.6904 ± 0.0011 Å
• c: 21.341 ± 0.001 Å
• α: 90°
• β: 108.767 ± 0.002°
• γ: 90°
• Cell volume: 11413.6 ± 0.9 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 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: 0.0409
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0881
• Weighted residual factors for all reflections included in the refinement: 0.0919
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No