Information card for entry 7116579

Structure parameters

• Formula: C30 H31 B Mo2 O10 Ru2
• Calculated formula: C30 H31 B Mo2 O10 Ru2
• SMILES: [B]123[Mo]45678([c]9([c]7([c]6([c]5([c]49C)C)C)C)C)(C#[O])(C#[O])[Ru]452(C#[O])(C#[O])(C#[O])[Mo]26791(C#[O])(C#[O])([c]1([c]2([c]6([c]7([c]91C)C)C)C)C)[Ru]384(C#[O])(C#[O])(C#[O])[H]5
• Title of publication: An electron-poor di-molybdenum triple-decker with a puckered [B4Ru2] bridging ring is an oblato-closo cluster
• Authors of publication: Bijan Mondal; Bijnaneswar Mondal; Koushik Pal; Babu Varghese; Sundargopal Ghosh
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 3828
• a: 17.2668 ± 0.0007 Å
• b: 30.7845 ± 0.0013 Å
• c: 12.5659 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6679.4 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.054
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0796
• Weighted residual factors for all reflections included in the refinement: 0.0878
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No