Information card for entry 4088296

Structure parameters

• Formula: C37 H37 Co2 Ga O7
• Calculated formula: C37 H37 Co2 Ga O7
• SMILES: [Ga]1([Co]2([Co]1(C#[O])(C#[O])(C#[O])C2=O)(C#[O])(C#[O])C#[O])c1c(cccc1c1c(cccc1C(C)C)C(C)C)c1c(C(C)C)cccc1C(C)C
• 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: 10.0677 ± 0.0007 Å
• b: 10.2348 ± 0.0008 Å
• c: 17.7124 ± 0.0013 Å
• α: 82.247 ± 0.001°
• β: 78.6991 ± 0.001°
• γ: 82.3595 ± 0.001°
• Cell volume: 1762.7 ± 0.2 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 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: 0.0315
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.0685
• Weighted residual factors for all reflections included in the refinement: 0.0705
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No