Information card for entry 4131275

Structure parameters

• Formula: C43 H37 Cl6 In2 N3 O P2
• Calculated formula: C43 H37 Cl6 In2 N3 O P2
• SMILES: [In]12(Cl)(Cl)[n]3c(P(c4ccccc4)c4ccccc4)cccc3c3[n]1c(ccc3)c1[n]2c(P(c2ccccc2)c2ccccc2)ccc1.[In](Cl)(Cl)(Cl)(Cl)[O]1CCCC1
• 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: 10.6347 ± 0.0004 Å
• b: 15.1587 ± 0.0005 Å
• c: 16.3064 ± 0.0009 Å
• α: 116.078 ± 0.004°
• β: 107.927 ± 0.004°
• γ: 91.446 ± 0.003°
• Cell volume: 2206.5 ± 0.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1014
• Residual factor for significantly intense reflections: 0.0623
• Weighted residual factors for significantly intense reflections: 0.1427
• Weighted residual factors for all reflections included in the refinement: 0.1654
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No