Information card for entry 7008626

Structure parameters

• Formula: C35 H46 B20 Cl2 O6 P2 Ru3 S
• Calculated formula: C35.358 H46.716 B20 Cl0.716 O6 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: 11.861 ± 0.002 Å
• b: 38.045 ± 0.008 Å
• c: 12.413 ± 0.003 Å
• α: 90°
• β: 94.27 ± 0.03°
• γ: 90°
• Cell volume: 5586 ± 2 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2217
• Residual factor for significantly intense reflections: 0.1059
• Weighted residual factors for significantly intense reflections: 0.225
• Weighted residual factors for all reflections included in the refinement: 0.2549
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No