Information card for entry 2207437

Structure parameters

• Chemical name: 1-Acetonitrile-3-chloro-1,2-(μ-3,5-dinitrobenzoato-κ^2^O,O')- 1-(triphenylphosphine-κP)-closo-1-ruthenaundecaborane
• Formula: C27 H29 B10 Cl N3 O6 P Ru
• Calculated formula: C27 H29 B10 Cl N3 O6 P Ru
• Title of publication: 1-Acetonitrile-3-chloro-1,2-(μ-3,5-dinitrobenzoato-κ^2^<i>O</i>,<i>O</i>')-1-(triphenylphosphine-κ<i>P</i>)-<i>closo</i>-1-ruthenaundecaborane
• Authors of publication: Guo, Qing-Liang; Dou, Jian-Min; Wu, Li-Bin; Li, Da-Cheng; Wang, Daqi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 12
• Pages of publication: m2613 - m2615
• a: 11.987 ± 0.002 Å
• b: 14.069 ± 0.003 Å
• c: 22.709 ± 0.003 Å
• α: 90°
• β: 104.485 ± 0.003°
• γ: 90°
• Cell volume: 3708 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0902
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.0768
• Weighted residual factors for all reflections included in the refinement: 0.0847
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes