Information card for entry 4075359

Structure parameters

• Formula: C29 H41 B10 N Ru
• Calculated formula: C29 H35 B10 N Ru
• SMILES: [Ru]1234567([C]89%10%11[BH]%12%13%14[BH]%15%16%17[BH]%18%19%20[BH]%218([BH]8%22%19[BH]%19%16%18[BH]%16%13%15[BH]%139%12[BH]%10%218[BH]%22%19%16%13)[C]%11%14%17%20C(C)(C)[c]81[cH]2[cH]3[cH]4[cH]58)C(c1ccccc1)=[CH]6[C@H](c1ccccc1)C=7NCCC
• Title of publication: Reaction of [η5:σ-Me2C(C5H4)(C2B10H10)]Ru(NH2Prn)2with Alkynes. Synthesis and Structural Characterization of Ruthenium Aminocarbene and Enamine Complexes
• Authors of publication: Sun, Yi; Chan, Hoi-Shan; Xie, Zuowei
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 14
• Pages of publication: 3447
• a: 10.5914 ± 0.0005 Å
• b: 13.1936 ± 0.0006 Å
• c: 22.4714 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3140.1 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0651
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1193
• Weighted residual factors for all reflections included in the refinement: 0.1333
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No