Information card for entry 7039408

Structure parameters

• Formula: C23 H34 B4 Mo2 O3 Ru Te
• Calculated formula: C23 H34 B4 Mo2 O3 Ru Te
• 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%138241([c]1(C)[c]6([c]7([c]%11([c]%121C)C)C)C)[Ru]95(C#[O])(C#[O])(C#[O])[Te]%103%13)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: 11.7257 ± 0.0009 Å
• b: 16.0144 ± 0.0011 Å
• c: 15.2907 ± 0.0011 Å
• α: 90°
• β: 93.207 ± 0.001°
• γ: 90°
• Cell volume: 2866.8 ± 0.4 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: 0.0481
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0741
• Weighted residual factors for all reflections included in the refinement: 0.0847
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No