Information card for entry 7008625

Structure parameters

• Formula: C55.8 H69.6 B10 Fe O9.2 P2 Ru3 S
• Calculated formula: C55.668 H69.336 B10 Fe O9.167 P2 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: 12.0673 ± 0.0008 Å
• b: 12.1253 ± 0.0009 Å
• c: 23.2231 ± 0.0016 Å
• α: 98.947 ± 0.003°
• β: 91.021 ± 0.004°
• γ: 109.356 ± 0.003°
• Cell volume: 3158.1 ± 0.4 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0812
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.0899
• Weighted residual factors for all reflections included in the refinement: 0.1059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No