Information card for entry 7702678

Structure parameters

• Formula: C44 H48 B10 I Mo N O4 P2
• Calculated formula: C44 H48 B10 I Mo N O4 P2
• 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: 15.4517 ± 0.0014 Å
• b: 10.6686 ± 0.0015 Å
• c: 29.866 ± 0.003 Å
• α: 90°
• β: 97.233 ± 0.014°
• γ: 90°
• Cell volume: 4884.2 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• 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: 0.0803
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.0886
• Weighted residual factors for all reflections included in the refinement: 0.0997
• Goodness-of-fit parameter for all reflections included in the refinement: 1.165
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No