Information card for entry 4086682

Structure parameters

• Formula: C35 H32 F3 N7 O3 Os S
• Calculated formula: C35 H32 F3 N7 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: 12.3099 ± 0.0014 Å
• b: 14.2086 ± 0.0016 Å
• c: 21.27 ± 0.002 Å
• α: 73.721 ± 0.002°
• β: 83.081 ± 0.002°
• γ: 76.522 ± 0.002°
• Cell volume: 3466.7 ± 0.6 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1158
• Residual factor for significantly intense reflections: 0.0605
• Weighted residual factors for significantly intense reflections: 0.1129
• Weighted residual factors for all reflections included in the refinement: 0.1299
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No