Information card for entry 7241083

Structure parameters

• Formula: C22 H10 N2 O8 Ru3
• Calculated formula: C22 H10 N2 O8 Ru3
• SMILES: [Ru]123(C#[O])([Ru]45678([Ru]1([n]1c([C]25=[CH]6[C]7(=[CH]38)c2ncccc2)cccc1)(C#[O])(C#[O])C4=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: 8.187 ± 0.005 Å
• b: 9.641 ± 0.006 Å
• c: 15.139 ± 0.009 Å
• α: 97.65 ± 0.03°
• β: 94.716 ± 0.017°
• γ: 106.3 ± 0.02°
• Cell volume: 1127.7 ± 1.2 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: 0.0497
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0775
• Weighted residual factors for all reflections included in the refinement: 0.0854
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No