Information card for entry 7702681

Structure parameters

• Formula: C17.5 H36 B10 Cl3 I Mo O3 S6
• Calculated formula: C17.502 H36 B10 Cl3 I Mo O3.002 S6
• Title of publication: Reactivity of the molybdenacarbaborane anion [2,2,2,2-(CO)4-closo-2,1-MoCB10H11]‒: metal oxidation versus cage substitution†
• Authors of publication: Du, Shaowu; Kautz, Jason A.; McGrath, Thomas D.; Stone, F. Gordon A.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 19
• Pages of publication: 2791
• a: 10.964 ± 0.002 Å
• b: 13.556 ± 0.003 Å
• c: 13.928 ± 0.003 Å
• α: 105.93 ± 0.03°
• β: 102.38 ± 0.03°
• γ: 102.18 ± 0.03°
• Cell volume: 1862.3 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0688
• Residual factor for significantly intense reflections: 0.0634
• Weighted residual factors for significantly intense reflections: 0.1614
• Weighted residual factors for all reflections included in the refinement: 0.1652
• Goodness-of-fit parameter for all reflections included in the refinement: 1.196
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No