Information card for entry 7715039

Structure parameters

• Formula: C25 H34 B2 Cr O4 Ru2 S2
• Calculated formula: C25 H34 B2 Cr O4 Ru2 S2
• SMILES: [Cr]12345([Ru]6789%10%11%12([Ru]%13%14%15%161([c]1([c]%13([c]%14([c]%15([c]%161C)C)C)C)C)(C2=O)([S]%10C[S]4[BH]5%12)[BH]3%11)[c]1([c]6(C)[c]7([c]8([c]91C)C)C)C)(C#[O])(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: 8.592 ± 0.0006 Å
• b: 18.6905 ± 0.0014 Å
• c: 17.8208 ± 0.0015 Å
• α: 90°
• β: 96.8 ± 0.003°
• γ: 90°
• Cell volume: 2841.7 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.053
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1023
• Weighted residual factors for all reflections included in the refinement: 0.1079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.175
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No