Information card for entry 4132478

Structure parameters

• Formula: C27 H43 Al Cl N3 P2
• Calculated formula: C27 H43 Al Cl N3 P2
• SMILES: Cl[Al]123[P](CN3c3c([N]2(c2c(N1CP(C(C)C)C(C)C)cccc2)C)cccc3)(C(C)C)C(C)C
• Title of publication: Rhodium Complexes Bearing PAlP Pincer Ligands.
• Authors of publication: Hara, Naofumi; Saito, Teruhiko; Semba, Kazuhiko; Kuriakose, Nishamol; Zheng, Hong; Sakaki, Shigeyoshi; Nakao, Yoshiaki
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 23
• Pages of publication: 7070 - 7073
• a: 11.416 ± 0.003 Å
• b: 11.745 ± 0.003 Å
• c: 12.139 ± 0.003 Å
• α: 76.321 ± 0.011°
• β: 70.418 ± 0.01°
• γ: 83.516 ± 0.011°
• Cell volume: 1489 ± 0.7 ų
• Cell temperature: 143 K
• Ambient diffraction temperature: 143 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: 0.0592
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0918
• Weighted residual factors for all reflections included in the refinement: 0.1002
• Goodness-of-fit parameter for all reflections included in the refinement: 0.973
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No