Information card for entry 4078027

Structure parameters

• Formula: C59 H53 B F4 O2 P3 Rh
• Calculated formula: C59 H53 B F4 O2 P3 Rh
• SMILES: [Rh](C#[O])([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.[B](F)(F)(F)[F-].O1CCCC1
• Title of publication: Synthesis of Rhodaboratranes Bearing Phosphine-Tethered Boranes: Evaluation of the Metal‒Boron Interaction
• Authors of publication: Kameo, Hajime; Hashimoto, Yasuhiro; Nakazawa, Hiroshi
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 8
• Pages of publication: 3155
• a: 12.3787 ± 0.0005 Å
• b: 19.3806 ± 0.0009 Å
• c: 21.4296 ± 0.001 Å
• α: 90°
• β: 91.619 ± 0.003°
• γ: 90°
• Cell volume: 5139.1 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0796
• Residual factor for significantly intense reflections: 0.0691
• Weighted residual factors for significantly intense reflections: 0.1687
• Weighted residual factors for all reflections included in the refinement: 0.1755
• Goodness-of-fit parameter for all reflections included in the refinement: 1.135
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No