Information card for entry 4074344

Structure parameters

• Formula: C83 H14 N2 O7 Os3
• Calculated formula: C83 H14 N2 O7 Os3
• SMILES: [Os]123([Os]45([Os]61(C#[O])(C#[O])(C#[O])[C]17[C]85=[C]54[C]43=[C]32[C]6=1c1c2c3c3c6c4c4c5c5c9c8c8c7c7c1c1c%10c2c2c3c3c6c6c4c4c5c5c9c9c8c8c7c1c1c7c%10c2c2c3c3c6c4c4c5c5c9c8c1c1c7c2c3c4c51)(C#[N]Cc1ccccc1)(C#[O])C#[O])(C#[N]Cc1ccccc1)(C#[O])C#[O]
• 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: 10.007 Å
• b: 13.1496 ± 0.0002 Å
• c: 21.9466 ± 0.0003 Å
• α: 84.321 ± 0.001°
• β: 89.819 ± 0.001°
• γ: 71.355 ± 0.001°
• Cell volume: 2721.67 ± 0.06 ų
• Cell temperature: 566 ± 2 K
• Ambient diffraction temperature: 566 ± 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: 0.0906
• Residual factor for significantly intense reflections: 0.071
• Weighted residual factors for significantly intense reflections: 0.2083
• Weighted residual factors for all reflections included in the refinement: 0.227
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No