Information card for entry 4082461

Structure parameters

• Formula: C154 H20 N4 O4 Os3 S4
• Calculated formula: C154 H20 N4 O4 Os3 S4
• SMILES: C(#[O])[Os]123(C#[O])([N]#Cc4ccccc4)[N](=Cc4ccccc4)[Os]4562(C#[O])c2c(C7[C]89[C]%10%11c%12c%13c%14c9c9c%15c8c8C%16%17C(c%18ccccc%18)=[N]1[Os]13%11(C#[O])([C]3%11c%18c%19c%20c3c3[C]%215=[C]54[C]1=%11c1c4c5c5c%11c%21c%21c3c3c%20c%20c%22c3c3c%21c%21c%11c%11c5c5c4c4c%23c1c%18c1c%18c%19c%20c%19c%20c%22c%22c3c%21c3c%11c%11c5c4c4c(c%231)c(c%18%19)c1c4c%11c3c%22c%201)([C]=%10%16c1c%12c3c4c%13c5c%14c%10c9c9c%11c%15c%12c8c8c%17c%13c1c1c3c3c4c4c5c5c%10c9c9c%10c%11c%12c%11c8c8c%13c1c1c3c3c4c5c9c4c%10c%11c8c1c34)[N]6=7)cccc2.C(=S)=S.C(=S)=S
• Title of publication: Unusual Coupling Reaction of C60and Benzonitrile with Triosmium Carbonyls To Generate Fullerodiketimide Cluster Complexes
• Authors of publication: Lin, Yi-Sin; Yeh, Wen-Yann
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 3
• Pages of publication: 731
• a: 27.076 ± 0.003 Å
• b: 14.7591 ± 0.0019 Å
• c: 25.284 ± 0.003 Å
• α: 90°
• β: 114.453 ± 0.007°
• γ: 90°
• Cell volume: 9198 ± 2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1431
• Residual factor for significantly intense reflections: 0.0688
• Weighted residual factors for significantly intense reflections: 0.1359
• Weighted residual factors for all reflections included in the refinement: 0.1594
• Goodness-of-fit parameter for all reflections included in the refinement: 0.924
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No