Information card for entry 4086681

Structure parameters

• Formula: C24 H25 Cl2 F3 N6 O3 Os S
• Calculated formula: C24 H25 Cl2 F3 N6 O3 Os S
• Title of publication: Preparation of Capped Octahedral OsHC6Complexes by Sequential Carbon-Directed C‒H Bond Activation Reactions
• Authors of publication: Esteruelas, Miguel A.; Oñate, Enrique; Palacios, Adrián; Tsai, Jui-Yi; Xia, Chuanjun
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 15
• Pages of publication: 2532
• a: 8.7097 ± 0.0004 Å
• b: 13.2661 ± 0.0007 Å
• c: 13.7956 ± 0.0007 Å
• α: 69.446 ± 0.001°
• β: 80.397 ± 0.001°
• γ: 78.817 ± 0.001°
• Cell volume: 1455.7 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0258
• Residual factor for significantly intense reflections: 0.0232
• Weighted residual factors for significantly intense reflections: 0.0562
• Weighted residual factors for all reflections included in the refinement: 0.0583
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No