Information card for entry 7008623

Structure parameters

• Formula: C13 H25 B10 O7 P Ru3 S
• Calculated formula: C13 H25 B10 O7 P Ru3 S
• Title of publication: Substitution, cage functionalization, and oxidation of the charge-compensated triruthenium monocarbollide cluster complex [1-SMe2-2,2-(CO)2-7,11-(mu-H)2-2,7,11-{Ru2(CO)6}-closo-2,1-RuCB10H8].
• Authors of publication: McGrath, Thomas D.; Stone, F Gordon A; Sukcharoenphon, Kengkaj
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 15
• Pages of publication: 2500 - 2507
• a: 10.7732 ± 0.0006 Å
• b: 11.7293 ± 0.0006 Å
• c: 21.4925 ± 0.0011 Å
• α: 90°
• β: 97.692 ± 0.002°
• γ: 90°
• Cell volume: 2691.4 ± 0.2 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 7
• 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: 0.0453
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.0589
• Weighted residual factors for all reflections included in the refinement: 0.0626
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No