Information card for entry 7128278

Structure parameters

• Chemical name: (η2,η2-bicyclo[2.2.1]hepta-2,5-diene)-(N,N-bis(2-(diphenylphosphinomethylamido)phenyl)methylamine)-(4-dimethylaminopyridine)-aluminium-rhodium
• Formula: C53 H53 Al N5 P2 Rh
• Calculated formula: C53 H53 Al N5 P2 Rh
• SMILES: [Rh]12345([P](CN6[Al]72([n]2ccc(N(C)C)cc2)N(C[P]1(c1ccccc1)c1ccccc1)c1c([N]7(c2c6cccc2)C)cccc1)(c1ccccc1)c1ccccc1)[CH]1=[CH]3C2[CH]5=[CH]4C1C2
• Title of publication: C2-Selective silylation of pyridines by a rhodium-aluminum complex.
• Authors of publication: Hara, Naofumi; Uemura, Nao; Nakao, Yoshiaki
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 48
• Pages of publication: 5957 - 5960
• a: 10.528 ± 0.018 Å
• b: 11.89 ± 0.03 Å
• c: 20.18 ± 0.03 Å
• α: 90.03 ± 0.05°
• β: 97.48 ± 0.05°
• γ: 105.32 ± 0.05°
• Cell volume: 2414 ± 8 ų
• Cell temperature: 143.15 K
• Ambient diffraction temperature: 143.15 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: 0.0562
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.0915
• Weighted residual factors for all reflections included in the refinement: 0.0969
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No