Information card for entry 4131274

Structure parameters

• Formula: C45 H41 Cl6 Ga2 N3 O1.5 P2
• Calculated formula: C45 H41 Cl6 Ga2 N3 O1.5 P2
• SMILES: [Ga]12(Cl)(Cl)[n]3c(P(c4ccccc4)c4ccccc4)cccc3c3[n]1c(ccc3)c1[n]2c(P(c2ccccc2)c2ccccc2)ccc1.[Ga](Cl)(Cl)(Cl)[Cl-].O1CCCC1.O1CCCC1
• Title of publication: Synthesis, Structure, and Catalysis of Palladium Complexes Bearing a Group 13 Metalloligand: Remarkable Effect of an Aluminum-Metalloligand in Hydrosilylation of CO₂.
• Authors of publication: Takaya, Jun; Iwasawa, Nobuharu
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 17
• Pages of publication: 6074 - 6077
• a: 16.2505 ± 0.0006 Å
• b: 18.0456 ± 0.0006 Å
• c: 16.419 ± 0.0008 Å
• α: 90°
• β: 106.315 ± 0.005°
• γ: 90°
• Cell volume: 4621 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 a 1
• Hall space group symbol: P -2ya
• Residual factor for all reflections: 0.1076
• Residual factor for significantly intense reflections: 0.0629
• Weighted residual factors for significantly intense reflections: 0.1285
• Weighted residual factors for all reflections included in the refinement: 0.1484
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No