Information card for entry 4125194

Structure parameters

• Formula: C16 H39 B11 O4 P2 Ru
• Calculated formula: C16 H39 B11 O4 P2 Ru
• SMILES: [Ru]123([P](O[C]4567[BH]89%102[C]2%11%12(O[P]1(C(C)C)C(C)C)[BH]148([BH]48%11[BH]%11%13%12[BH]%1292[BH]25%10[BH]5%11%12[BH]962[BH]714[BH]8%1359)[BH2][H]3)(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: 9.2907 ± 0.0005 Å
• b: 14.0608 ± 0.0007 Å
• c: 20.6883 ± 0.0012 Å
• α: 90°
• β: 94.379 ± 0.002°
• γ: 90°
• Cell volume: 2694.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0198
• Residual factor for significantly intense reflections: 0.0161
• Weighted residual factors for significantly intense reflections: 0.0405
• Weighted residual factors for all reflections included in the refinement: 0.0415
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No