Information card for entry 4076837

Structure parameters

• Common name: Os3(CO)9(CNCH2C6H5)(C60)
• Chemical name: Os3(CO)9(mu3-CNCH2C6H5)(mu3-eta1:eta2:eta1-C60) (2b)
• Formula: C155 H14 N2 O18 Os6 S2
• Calculated formula: C155 H14 N2 O18 Os6 S2
• 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: 12.967 ± 0.002 Å
• b: 19.59 ± 0.004 Å
• c: 20.488 ± 0.004 Å
• α: 100.559 ± 0.003°
• β: 100.797 ± 0.003°
• γ: 99.8 ± 0.003°
• Cell volume: 4911.7 ± 1.6 ų
• Cell temperature: 233 ± 2 K
• Ambient diffraction temperature: 233 ± 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: 0.0996
• Residual factor for significantly intense reflections: 0.0819
• Weighted residual factors for significantly intense reflections: 0.2065
• Weighted residual factors for all reflections included in the refinement: 0.2174
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No