Information card for entry 4125189

Structure parameters

• Formula: C16 H36 B10 O4 P2 Ru
• Calculated formula: C16 H36 B10 O4 P2 Ru
• SMILES: [B]12345[B]6789[BH]%10%11%12[BH]%13%14%15[BH]%16%171[BH]1%18%13[BH]%13%10%14[BH]%108%12[BH]8%18%13[BH]4%171[C]59%108O[P]([Ru]37(C#[O])(C#[O])[P](O[C]26%11%15%16)(C(C)C)C(C)C)(C(C)C)C(C)C
• 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: 14.5078 ± 0.0006 Å
• b: 17.5364 ± 0.0008 Å
• c: 10.1577 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2584.27 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0487
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.0576
• Weighted residual factors for all reflections included in the refinement: 0.0626
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No