Information card for entry 7715040

Structure parameters

• Formula: C27 H32 Mo O6 Ru2 S2
• Calculated formula: C27 H32 Mo O6 Ru2 S2
• SMILES: [Ru]123456([Mo]789([Ru]%10%11%12%13([S]8C[S]17)([c]1([c]%10([c]%11([c]%12([c]%131C)C)C)C)C)(C#[O])C9=O)(C#[O])(C#[O])C6=O)([c]1([c]2([c]3([c]4([c]51C)C)C)C)C)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: 15.288 ± 0.008 Å
• b: 15.103 ± 0.007 Å
• c: 24.967 ± 0.012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5765 ± 5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0441
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0589
• Weighted residual factors for all reflections included in the refinement: 0.0661
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No