Information card for entry 4076836

Structure parameters

• Common name: Os3(CO)8(CNCH2C6H5)C60
• Chemical name: Os3(CO)8(CNCH2C6H5)(mu3-eta2:eta2:eta2-C60) (2a)
• Formula: C76.25 H7 N O8 Os3 S0.5
• Calculated formula: C76.25 H7 N O8 Os3 S0.5
• Title of publication: Ligand-Induced Conversion ofπtoσC60−Metal Cluster Complexes: Full Characterization of theμ3-η1:η2:η1-C60Bonding Mode
• Authors of publication: Song, Hyunjoon; Lee, Chang H.; Lee, Kwangyeol; Park, Joon T.
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 12
• Pages of publication: 2514
• a: 23.5677 ± 0.0002 Å
• b: 12.6912 ± 0.0002 Å
• c: 31.0373 ± 0.0001 Å
• α: 90°
• β: 95.289 ± 0.001°
• γ: 90°
• Cell volume: 9243.81 ± 0.17 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1142
• Residual factor for significantly intense reflections: 0.0693
• Weighted residual factors for significantly intense reflections: 0.1649
• Weighted residual factors for all reflections included in the refinement: 0.19
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No