Information card for entry 7241084

Structure parameters

• Formula: C29 H15 N3 O8 Ru3
• Calculated formula: C29 H15 N3 O8 Ru3
• SMILES: [Ru]123456(C(=O)[Ru]72([n]2c([C]4(=[CH]4[Ru]81(C#[O])(C#[O])(C#[O])[C]3(=[CH]48)c1ncccc1)[CH]6=[C]57c1ncccc1)cccc2)(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: 11.114 ± 0.018 Å
• b: 11.221 ± 0.017 Å
• c: 13.16 ± 0.02 Å
• α: 75.91 ± 0.05°
• β: 73.55 ± 0.06°
• γ: 61.99 ± 0.09°
• Cell volume: 1378 ± 4 ų
• Cell temperature: 193 ± 1 K
• Ambient diffraction temperature: 193 ± 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: 0.101
• Residual factor for significantly intense reflections: 0.0687
• Weighted residual factors for significantly intense reflections: 0.1619
• Weighted residual factors for all reflections included in the refinement: 0.1872
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No