Information card for entry 4066646

Structure parameters

• Chemical name: [RuCL(CO){B(NCH~2~PPh~2~)~2~C~6~H~4~}(PPh~3~)]
• Formula: C51 H43 B Cl N2 O P3 Ru
• Calculated formula: C51 H43 B Cl N2 O P3 Ru
• SMILES: [Ru]12(Cl)([P](CN3c4ccccc4N(B23)C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)C#[O]
• Title of publication: Analogies between Metallaboratranes, Triboronates, and Boron Pincer Ligand Complexes†
• Authors of publication: Hill, Anthony F.; Lee, Stephen B.; Park, James; Shang, Rong; Willis, Anthony C.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 21
• Pages of publication: 5661
• a: 13.1923 ± 0.0017 Å
• b: 18.0267 ± 0.0017 Å
• c: 20.126 ± 0.003 Å
• α: 74.252 ± 0.008°
• β: 80.577 ± 0.004°
• γ: 87.994 ± 0.008°
• Cell volume: 4544.2 ± 1 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 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: 0.1773
• Residual factor for significantly intense reflections: 0.0861
• Weighted residual factors for all reflections: 0.1859
• Weighted residual factors for significantly intense reflections: 0.1422
• Weighted residual factors for all reflections included in the refinement: 0.1859
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0342
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No