Information card for entry 4063938

Structure parameters

• Formula: C17 H19 F3 O7 Os S
• Calculated formula: C17 H19 F3 O7 Os S
• Title of publication: Synthesis and Characterization of the κ2-acac-O,OComplex OsIV(acac)2PhCl and Study of CH Activation with Benzene
• Authors of publication: Young, Kenneth J. H.; Mironov, Oleg A.; Nielsen, Robert J.; Cheng, Mu-Jeng; Stewart, Timothy; Goddard, William A.; Periana, Roy A.
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 19
• Pages of publication: 5088
• a: 8.5774 ± 0.0006 Å
• b: 9.3032 ± 0.0005 Å
• c: 13.0773 ± 0.0007 Å
• α: 86.17 ± 0.002°
• β: 88.963 ± 0.003°
• γ: 85.364 ± 0.003°
• Cell volume: 1037.71 ± 0.11 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0434
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0743
• Weighted residual factors for all reflections included in the refinement: 0.0771
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No