Information card for entry 7039406

Structure parameters

• Formula: C23 H34 B4 Mo2 O3 Ru S
• Calculated formula: C23 H34 B4 Mo2 O3 Ru S
• SMILES: C[c]12[c]3([c]4([c]5([c]1(C)[Mo]16789%102345[BH]23[BH]41[BH]16[BH]57[Mo]67%11%12%139341([c]1(C)[c]6([c]7([c]%11([c]%121C)C)C)C)S82[Ru]%105%13(C#[O])(C#[O])C#[O])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: 11.6377 ± 0.0002 Å
• b: 15.759 ± 0.0003 Å
• c: 15.3447 ± 0.0003 Å
• α: 90°
• β: 94.016 ± 0.001°
• γ: 90°
• Cell volume: 2807.29 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0383
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.0593
• Weighted residual factors for all reflections included in the refinement: 0.0643
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No