Information card for entry 4075361

Structure parameters

• Formula: C31 H45 B10 N Ru
• Calculated formula: C31 H45 B10 N Ru
• SMILES: [Ru]1234567([C]89%10%11[C]%12%13%14(C(C)(C)[c]%151[cH]5[cH]4[cH]3[cH]2%15)[BH]128[BH]34%12[BH]58%13[BH]%129%14[BH]9%138[BH]845[BH]423[BH]2%101[BH]%11%129[BH]%13842)[CH](c1ccc(cc1)C)=[CH]6C(c1ccc(cc1)C)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: 10.743 ± 0.002 Å
• b: 12.86 ± 0.003 Å
• c: 24.952 ± 0.005 Å
• α: 90°
• β: 99.85 ± 0.03°
• γ: 90°
• Cell volume: 3396.4 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0625
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.1585
• Weighted residual factors for all reflections included in the refinement: 0.1638
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No