Information card for entry 7039405

Structure parameters

• Formula: C26 H34 B4 Mo2 O6 Ru2
• Calculated formula: C26 H34 B4 Mo2 O6 Ru2
• SMILES: [BH]123[BH]45[Mo]6789%10%11%12%131([c]1([c]9([c]8([c]7([c]61C)C)C)C)C)[Ru]12(C#[O])(C#[O])(C#[O])[Mo]26789%1435%12([BH]%10([BH]4%112)[Ru]%131%14(C#[O])(C#[O])C#[O])[c]1([c]6([c]7([c]8([c]91C)C)C)C)C
• Title of publication: Hypo-electronic triple-decker sandwich complexes: synthesis and structural characterization of [(Cp*Mo)2{μ-η(6):η(6)-B4H4E-Ru(CO)3}] (E = S, Se, Te or Ru(CO)3 and Cp* = η(5)-C5Me5).
• Authors of publication: Mondal, Bijan; Bhattacharyya, Moulika; Varghese, Babu; Ghosh, Sundargopal
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 27
• Pages of publication: 10999 - 11007
• a: 17.5892 ± 0.0004 Å
• b: 15.9899 ± 0.0004 Å
• c: 11.2183 ± 0.0003 Å
• α: 90°
• β: 102.022 ± 0.002°
• γ: 90°
• Cell volume: 3085.94 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0319
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0882
• Weighted residual factors for all reflections included in the refinement: 0.0884
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No