Information card for entry 7715041

Structure parameters

• Formula: C26 H30 Mo O6 Ru2 S
• Calculated formula: C26 H30 Mo O6 Ru2 S
• SMILES: [c]12([c]3([c]4([c]5([c]1(C)[Ru]16782345C(=O)[Ru]23459%106([c]6([c]2([c]3([c]4([c]56C)C)C)C)C)C(=O)[Mo]79(C#[O])(C#[O])(C#[O])(C1=O)[S]8%10)C)C)C)C
• Title of publication: Hetero-trimetallic complexes comprising bridging boryl and borylene ligands: an experimental and theoretical study.
• Authors of publication: Bairagi, Subhash; Giri, Soumen; Patel, Deepak Kumar; Luong, Diana; Fokwa, Boniface P. T.; Ghosh, Sundargopal
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 7
• Pages of publication: 3191 - 3205
• a: 14.7381 ± 0.0011 Å
• b: 10.2541 ± 0.0008 Å
• c: 18.4167 ± 0.0014 Å
• α: 90°
• β: 97.879 ± 0.002°
• γ: 90°
• Cell volume: 2757 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• 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: 0.0217
• Residual factor for significantly intense reflections: 0.0189
• Weighted residual factors for significantly intense reflections: 0.0458
• Weighted residual factors for all reflections included in the refinement: 0.0475
• Goodness-of-fit parameter for all reflections included in the refinement: 0.7951
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No