Information card for entry 4125190

Structure parameters

• Formula: C16 H37 B10 Cl O4 P2 Ru
• Calculated formula: C16 H37 B10 Cl O4 P2 Ru
• SMILES: [Ru]12(Cl)([P](O[C]3456[BH]7892[C]2%10%11(O[P]1(C(C)C)C(C)C)[BH]137[BH]37%10[BH]%10%12%11[BH]%1182[BH]249[BH]4%10%11[BH]852[BH]613[BH]7%1248)(C(C)C)C(C)C)(C#[O])C#[O]
• Title of publication: (BB)-Carboryne Complex of Ruthenium: Synthesis by Double B-H Activation at a Single Metal Center.
• Authors of publication: Eleazer, Bennett J.; Smith, Mark D.; Popov, Alexey A.; Peryshkov, Dmitry V.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 33
• Pages of publication: 10531 - 10538
• a: 11.9543 ± 0.0005 Å
• b: 14.3559 ± 0.0006 Å
• c: 16.4299 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2819.6 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0279
• Residual factor for significantly intense reflections: 0.0222
• Weighted residual factors for significantly intense reflections: 0.0411
• Weighted residual factors for all reflections included in the refinement: 0.0425
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No