Information card for entry 7039407

Structure parameters

• Formula: C23 H34 B4 Mo2 O3 Ru Se
• Calculated formula: C23 H34 B4 Mo2 O3 Ru Se
• SMILES: [BH]123[BH]45[BH]67[BH]89[Mo]%10%11%12%13%14%15146([c]1([c]%10([c]%11([c]%12([c]%131C)C)C)C)C)[Mo]146%10%112578([c]2([c]%10([c]6([c]4([c]12C)C)C)C)C)[Ru]3%14(C#[O])(C#[O])(C#[O])[Se]9%15%11
• 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: 11.6583 ± 0.0003 Å
• b: 15.8237 ± 0.0003 Å
• c: 15.3209 ± 0.0003 Å
• α: 90°
• β: 93.8254 ± 0.001°
• γ: 90°
• Cell volume: 2820.06 ± 0.11 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0437
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0914
• Weighted residual factors for all reflections included in the refinement: 0.0947
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No