Information card for entry 4086680

Structure parameters

• Formula: C24.23 H25.45 Cl1.45 N2 Os
• Calculated formula: C24.225 H25.45 Cl1.45 N2 Os
• 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: 12.9012 ± 0.0014 Å
• b: 15.4777 ± 0.0017 Å
• c: 22.973 ± 0.003 Å
• α: 76.54 ± 0.002°
• β: 83.693 ± 0.001°
• γ: 76.701 ± 0.002°
• Cell volume: 4333.9 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0378
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0695
• Weighted residual factors for all reflections included in the refinement: 0.0725
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No