Information card for entry 4077435

Structure parameters

• Formula: C91 H15 O12 Os5 P
• Calculated formula: C91 H15 O12 Os5 P
• SMILES: [Os]1234([Os]5678([Os]9%101([Os]12([Os]35([C]4691)(C#[O])(C#[O])[P](c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])[C]12c3c4c5c2c2[C]68c8c9c%11c%12[C]7=6[C]%10=1c1c6c3c3c7c4c4c%10c5c5c2c8c2c8c9c9c%11c%11c(c%121)c1c6c3c3c6c7c4c4c7c%10c5c2c2c8c5c9c8c%11c1c3c1c6c4c(c72)c5c81)(C#[O])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: 41.821 ± 0.008 Å
• b: 19.375 ± 0.004 Å
• c: 18.55 ± 0.004 Å
• α: 90°
• β: 116.04 ± 0.03°
• γ: 90°
• Cell volume: 13505 ± 6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.087
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for all reflections: 0.1714
• Weighted residual factors for significantly intense reflections: 0.1535
• Goodness-of-fit parameter for all reflections: 1.019
• Goodness-of-fit parameter for significantly intense reflections: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No