Information card for entry 7241081

Structure parameters

• Formula: C17 H6 N O10 Os3
• Calculated formula: C17 H6 N O10 Os3
• SMILES: [Os]12([Os]3([Os](C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])(C#[O])[CH]2=[CH]3c2[n]1cccc2)(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: 8.7108 ± 0.0004 Å
• b: 9.1324 ± 0.0004 Å
• c: 14.1005 ± 0.0006 Å
• α: 100.068 ± 0.004°
• β: 92.632 ± 0.004°
• γ: 111.204 ± 0.004°
• Cell volume: 1022.35 ± 0.09 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 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: 0.0294
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.0623
• Weighted residual factors for all reflections included in the refinement: 0.0641
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No