Information card for entry 4079481

Structure parameters

• Formula: C75 H60 O3 P5 Rh3
• Calculated formula: C75 H60 O3 P5 Rh3
• SMILES: [Rh]123([Rh]4([Rh]1([P]4(c1ccccc1)c1ccccc1)([P]3(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)C#[O])([P]2(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)C#[O])C#[O]
• Title of publication: Synthesis of a Rhodium Complex Featuring the Rh‒H‒B Linkage via a Hydride Migration from Rhodium to Borane: Study on the Electronic Deviation Induced by the Presence of the Boron Moiety
• Authors of publication: Kameo, Hajime; Nakazawa, Hiroshi
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 21
• Pages of publication: 7476
• a: 35.4431 ± 0.0013 Å
• b: 12.4199 ± 0.0005 Å
• c: 14.3911 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6335 ± 0.4 ų
• Cell temperature: 200.1 K
• Ambient diffraction temperature: 200.1 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for all reflections included in the refinement: 0.0759
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No