Information card for entry 2010883

Structure parameters

• Chemical name: 1,2:1,3-Bis(μ-p-toluato-O:O')-1-(triphenylphosphine-P)- 1-ruthena-closo-undecaborane
• Formula: C34 H37 B10 O4 P Ru
• Calculated formula: C34 H37 B10 O4 P Ru
• SMILES: [Ru]1234567([P](c8ccccc8)(c8ccccc8)c8ccccc8)[O]=C(O[B]892[BH]2%104[BH]4%115[B]53(OC(=[O]1)c1ccc(cc1)C)[BH]136[BH]678[BH]792[BH]2%10%11[BH]451[BH]3672)c1ccc(cc1)C
• Title of publication: 1,2:1,3-Bis(μ-<i>p</i>-toluato-<i>O</i>:<i>O</i>')-1-(triphenylphosphine-<i>P</i>)-1-ruthena-<i>closo</i>-undecaborane
• Authors of publication: Nie, Yong; Hu, Chun-Hua; Wu, Qiang-Jin; Lu, Shao-Fang; Jin, Ruo-Shui; Zheng, Pei-Ju
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 5
• Pages of publication: 536 - 537
• a: 11.368 ± 0.002 Å
• b: 16.922 ± 0.003 Å
• c: 11.092 ± 0.002 Å
• α: 103.26 ± 0.02°
• β: 117.8 ± 0.01°
• γ: 89.64 ± 0.02°
• Cell volume: 1824.6 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.057
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for all reflections included in the refinement: 0.123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes