Information card for entry 4077436

Structure parameters

• Formula: C98 H22 N O11 Os5 P
• Calculated formula: C98 H22 N O11 Os5 P
• SMILES: [Os]12345([Os]6789([Os]%10%111([Os]12([Os]6([C]37%101)(C#[O])(C#[O])([P](c1ccccc1)(c1ccccc1)c1ccccc1)C#[N]Cc1ccccc1)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])[C]12[C]39=[C]68[C]75=[C]54c4c8c([C]%11=15)c1c5c2c2c3c3c9c6c6c7c7c4c4c%10c8c8c1c1c5c5c2c2c3c3c9c9c6c6c7c4c4c7c%10c8c8c1c1c5c2c2c3c3c9c6c4c4c7c8c1c2c34)(C#[O])C#[O])(C#[O])C#[O]
• Title of publication: Reversible Interconversion between μ,η2:η2- and μ3,η2:η2:η2-C60on a Carbido Pentaosmium Cluster Framework
• Authors of publication: Lee, Kwangyeol; Choi, Zel-Ho; Cho, Youn-Jaung; Song, Hyunjoon; Park, Joon T.
• Journal of publication: Organometallics
• Year of publication: 2001
• Journal volume: 20
• Journal issue: 26
• Pages of publication: 5564
• a: 48.766 ± 0.01 Å
• b: 55.356 ± 0.011 Å
• c: 10.054 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 27141 ± 9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0943
• Residual factor for significantly intense reflections: 0.0738
• Weighted residual factors for all reflections: 0.1913
• Weighted residual factors for significantly intense reflections: 0.176
• Goodness-of-fit parameter for all reflections: 1.176
• Goodness-of-fit parameter for significantly intense reflections: 1.219
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No