Information card for entry 7008628

Structure parameters

• Formula: C22.25 H36.5 B10 Cl0.5 O7 Ru3 S
• Calculated formula: C22.25 H36.5 B10 Cl0.5 O7 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: 42.274 ± 0.006 Å
• b: 10.7571 ± 0.0017 Å
• c: 17.195 ± 0.003 Å
• α: 90°
• β: 113.84 ± 0.007°
• γ: 90°
• Cell volume: 7152 ± 2 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0814
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0819
• Weighted residual factors for all reflections included in the refinement: 0.0928
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No