Information card for entry 4074346

Structure parameters

• Formula: C97 H28 N4 O5 Os3
• Calculated formula: C97 H28 N4 O5 Os3
• SMILES: [Os]123([Os]45([Os]61([C]17c8c9c%10[C]41=[C]15[C]43c3c5c1c1c%10c%10c%11c%12c%13c%14c%15c%16c%17c%18c(c(c%12%16)c9%11)c8c8c9[C]6=7[C]2=4c2c9c4c6c7c9c(c%11c5c5c1c%10c%13c1c5c%11c5c(c%10c(c95)c6c(c%17c%15%10)c4c%188)c%141)c3c27)(C#[N]Cc1ccccc1)(C#[O])C#[N]Cc1ccccc1)(C#[O])(C#[O])C#[N]Cc1ccccc1)(C#[O])(C#[O])C#[N]Cc1ccccc1
• Title of publication: Syntheses, Structures, and Electrochemical Properties of Os3(CO)9-n(CNCH2Ph)n(μ3-η2:η2:η2-C60) (n= 2−4)
• Authors of publication: Lee, Chang Yeon; Park, Bo Keun; Yoon, Jung Hee; Hong, Chang Seop; Park, Joon T.
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 19
• Pages of publication: 4634
• a: 9.9255 ± 0.0007 Å
• b: 14.3279 ± 0.0009 Å
• c: 22.9116 ± 0.0015 Å
• α: 73.164 ± 0.002°
• β: 83.004 ± 0.002°
• γ: 75.24 ± 0.002°
• Cell volume: 3011.7 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0992
• Residual factor for significantly intense reflections: 0.0624
• Weighted residual factors for significantly intense reflections: 0.1524
• Weighted residual factors for all reflections included in the refinement: 0.1797
• 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: No
• Has Fobs: No