Information card for entry 7715037

Structure parameters

• Formula: C27 H32 O6 Ru2 S2 W
• Calculated formula: C27 H32 O6 Ru2 S2 W
• SMILES: O=C1[W]2345(C(=O)[Ru]67892(C#[O])([c]2([c]9([c]6([c]8([c]72C)C)C)C)C)[S]4C[S]5[Ru]245613(C#[O])[c]1([c]5([c]4([c]2([c]61C)C)C)C)C)(C#[O])C#[O]
• 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: 15.299 ± 0.0007 Å
• b: 15.0695 ± 0.0005 Å
• c: 25.0075 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5765.4 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0498
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.075
• Weighted residual factors for all reflections included in the refinement: 0.0829
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No