Information card for entry 4078026

Structure parameters

• Formula: C58 H48 B2 Cl6 F4 O P3 Rh
• Calculated formula: C58 H48 B2 Cl6 F4 O P3 Rh
• SMILES: [Rh]123(C#[O])[B](c4ccccc4[P]1(c1ccccc1)c1ccccc1)(c1ccccc1[P]2(c1ccccc1)c1ccccc1)c1ccccc1[P]3(c1ccccc1)c1ccccc1.[B](F)(F)(F)[F-].C(Cl)Cl.C(Cl)Cl.C(Cl)Cl
• 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: 12.262 ± 0.002 Å
• b: 13.88 ± 0.003 Å
• c: 17.753 ± 0.004 Å
• α: 104.11 ± 0.004°
• β: 91.71 ± 0.004°
• γ: 107.707 ± 0.005°
• Cell volume: 2773.8 ± 1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.116
• Residual factor for significantly intense reflections: 0.0825
• Weighted residual factors for significantly intense reflections: 0.2179
• Weighted residual factors for all reflections included in the refinement: 0.2349
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No