Information card for entry 4125193

Structure parameters

• Formula: C22 H46 B10 O4 P2 Ru
• Calculated formula: C22 H46 B10 O4 P2 Ru
• SMILES: [Ru]123([P](O[C]4567[BH]89%103[C]3%11%12(O[P]1(C(C)C)C(C)C)[BH]148(C(=C2CC)CC)[BH]24%11[BH]8%11%12[BH]%1293[BH]35%10[BH]58%12[BH]863[BH]712[BH]4%1158)(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: 10.908 ± 0.0006 Å
• b: 13.3367 ± 0.0007 Å
• c: 21.9824 ± 0.0011 Å
• α: 90°
• β: 99.305 ± 0.002°
• γ: 90°
• Cell volume: 3155.8 ± 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0536
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0726
• Weighted residual factors for all reflections included in the refinement: 0.0775
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No