Information card for entry 4075363

Structure parameters

• Formula: C36 H47 B10 Br2 N Ru
• Calculated formula: C36 H47 B10 Br2 N Ru
• SMILES: [Ru]12345678([C]9%10%11%12[C]%13%14%15(C(C)(C)[c]%161[cH]2[cH]3[cH]4[cH]5%16)[BH]129[BH]34%13[BH]59%14[BH]%13%10%15[BH]%10%149[BH]945[BH]423[BH]2%111[BH]%12%13%10[BH]%14942)[CH](c1ccc(Br)cc1)=[CH]6[C]7(NCCC)=[CH]8c1ccc(Br)cc1.c1(ccccc1)C
• 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: 10.52 ± 0.002 Å
• b: 12.986 ± 0.003 Å
• c: 15.644 ± 0.003 Å
• α: 112.14 ± 0.03°
• β: 95.12 ± 0.03°
• γ: 92.37 ± 0.03°
• Cell volume: 1965.2 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0686
• Residual factor for significantly intense reflections: 0.0649
• Weighted residual factors for significantly intense reflections: 0.1766
• Weighted residual factors for all reflections included in the refinement: 0.182
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No