Information card for entry 7013009

Structure parameters

• Common name: H2O Complex
• Formula: C9 H13 B11 Br6 Mo O4
• Calculated formula: C9 H11 B11 Br6 Mo O4
• Title of publication: Investigation of the synthesis of {Mo(η5-C5H5)(CO)3}+ fragments partnered with the monoanionic carboranes [closo-CB11H11Br]-, [closo-CB11H6Br6]- and [closo-HCB11Me11]- by silver salt metathesis and hydride abstraction
• Authors of publication: Patmore, Nathan J.; Ingleson, Michael J.; Mahon, Mary F.; Weller, Andrew S.
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 14
• Pages of publication: 2894 - 2904
• a: 9.752 ± 0.0002 Å
• b: 12.814 ± 0.0003 Å
• c: 20.142 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2516.99 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0449
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0959
• Weighted residual factors for all reflections included in the refinement: 0.1009
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No