Information card for entry 7241085

Structure parameters

• Formula: C16 H6 N O9 Os3
• Calculated formula: C16 H6 N O9 Os3
• SMILES: [Os]12([Os]34([Os]1(C#[O])(C#[O])(C#[O])[C]3(c1[n]2cccc1)=[CH2]4)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Reactions of triosmium and triruthenium clusters with 2-ethynylpyridine: new modes for alkyne C‒C bond coupling and C‒H bond activation
• Authors of publication: Joy, Md. Tuhinur R.; Roknuzzaman,; Hossain, Md. Emdad; Ghosh, Shishir; Tocher, Derek A.; Richmond, Michael G.; Kabir, Shariff E.
• Journal of publication: RSC Advances
• Year of publication: 2020
• Journal volume: 10
• Journal issue: 51
• Pages of publication: 30671 - 30682
• a: 8.1249 ± 0.0002 Å
• b: 15.291 ± 0.0004 Å
• c: 15.3121 ± 0.0004 Å
• α: 90°
• β: 91.697 ± 0.002°
• γ: 90°
• Cell volume: 1901.51 ± 0.08 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0239
• Residual factor for significantly intense reflections: 0.0211
• Weighted residual factors for significantly intense reflections: 0.0459
• Weighted residual factors for all reflections included in the refinement: 0.0471
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No